Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
600493 | 2n0z RC | 25541 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 9 H GLY 9 7.864 -16.326 5.107
2 HA2 GLY 9 2HA GLY 9 9.511 -15.203 2.990
3 HA3 GLY 9 1HA GLY 9 8.013 -15.955 2.450
4 H THR 10 H THR 10 9.146 -13.065 2.781
5 HA THR 10 HA THR 10 6.607 -11.834 3.259
6 HB THR 10 HB THR 10 7.289 -12.269 5.600
7 HG1 THR 10 1HG THR 10 6.197 -10.476 5.697
8 HG21 THR 10 3HG2 THR 10 9.592 -10.386 5.065
9 HG22 THR 10 1HG2 THR 10 9.773 -12.140 5.031
10 HG23 THR 10 2HG2 THR 10 9.283 -11.333 6.521
11 H LYS 11 H LYS 11 6.526 -9.903 2.245
12 HA LYS 11 HA LYS 11 8.912 -8.303 1.838
13 HB2 LYS 11 2HB LYS 11 8.940 -10.067 0.014
14 HB3 LYS 11 1HB LYS 11 7.454 -9.338 -0.598
15 HG2 LYS 11 2HG LYS 11 8.693 -7.121 -0.650
16 HG3 LYS 11 1HG LYS 11 10.170 -8.029 -0.327
17 HD2 LYS 11 2HD LYS 11 9.725 -9.411 -2.352
18 HD3 LYS 11 1HD LYS 11 8.317 -8.407 -2.697
19 HE2 LYS 11 2HE LYS 11 11.179 -7.426 -2.501
20 HE3 LYS 11 1HE LYS 11 10.264 -7.637 -3.993
21 HZ1 LYS 11 3HZ LYS 11 10.199 -5.487 -2.120
22 HZ2 LYS 11 1HZ LYS 11 8.649 -6.116 -2.397
23 HZ3 LYS 11 2HZ LYS 11 9.583 -5.560 -3.702
24 H LYS 12 H LYS 12 8.049 -6.454 2.583
25 HA LYS 12 HA LYS 12 5.328 -5.681 1.845
26 HB2 LYS 12 2HB LYS 12 7.369 -4.307 3.615
27 HB3 LYS 12 1HB LYS 12 5.693 -3.806 3.401
28 HG2 LYS 12 2HG LYS 12 5.400 -5.104 5.280
29 HG3 LYS 12 1HG LYS 12 5.258 -6.378 4.070
30 HD2 LYS 12 2HD LYS 12 6.857 -7.331 5.448
31 HD3 LYS 12 1HD LYS 12 7.912 -6.453 4.342
32 HE2 LYS 12 2HE LYS 12 7.147 -5.775 7.168
33 HE3 LYS 12 1HE LYS 12 8.742 -5.771 6.416
34 HZ1 LYS 12 3HZ LYS 12 6.766 -3.933 5.319
35 HZ2 LYS 12 1HZ LYS 12 8.434 -3.725 5.548
36 HZ3 LYS 12 2HZ LYS 12 7.371 -3.565 6.863
37 H TYR 13 H TYR 13 5.694 -2.885 1.870
38 HA TYR 13 HA TYR 13 7.528 -2.271 -0.326
39 HB2 TYR 13 2HB TYR 13 4.634 -1.492 -0.607
40 HB3 TYR 13 1HB TYR 13 5.894 -1.527 -1.840
41 HD1 TYR 13 1HD TYR 13 3.776 -3.667 0.347
42 HD2 TYR 13 2HD TYR 13 6.361 -3.508 -3.080
43 HE1 TYR 13 1HE TYR 13 3.132 -5.988 -0.246
44 HE2 TYR 13 2HE TYR 13 5.716 -5.828 -3.673
45 HH TYR 13 HH TYR 13 3.974 -7.859 -1.517
46 H ASP 14 H ASP 14 8.017 -0.069 -0.505
47 HA ASP 14 HA ASP 14 7.347 1.501 1.886
48 HB2 ASP 14 2HB ASP 14 9.714 1.301 1.363
49 HB3 ASP 14 1HB ASP 14 9.434 1.909 -0.267
50 H LEU 15 H LEU 15 5.559 2.684 1.686
51 HA LEU 15 HA LEU 15 5.029 4.058 -0.882
52 HB2 LEU 15 2HB LEU 15 2.987 3.723 1.301
53 HB3 LEU 15 1HB LEU 15 2.737 3.946 -0.429
54 HG LEU 15 HG LEU 15 3.928 1.467 0.854
55 HD11 LEU 15 1HD1 LEU 15 1.205 1.966 -0.386
56 HD12 LEU 15 2HD1 LEU 15 1.525 1.720 1.331
57 HD13 LEU 15 3HD1 LEU 15 1.798 0.407 0.186
58 HD21 LEU 15 3HD2 LEU 15 3.164 2.139 -2.005
59 HD22 LEU 15 1HD2 LEU 15 3.597 0.525 -1.447
60 HD23 LEU 15 2HD2 LEU 15 4.790 1.822 -1.402
61 H SER 16 H SER 16 6.915 5.010 1.083
62 HA SER 16 HA SER 16 6.172 6.836 2.935
63 HB2 SER 16 2HB SER 16 8.518 6.365 2.095
64 HB3 SER 16 1HB SER 16 8.196 7.510 0.796
65 HG SER 16 HG SER 16 8.577 7.926 3.516
66 H LYS 17 H LYS 17 6.096 7.347 -0.578
67 HA LYS 17 HA LYS 17 4.138 9.504 -0.165
68 HB2 LYS 17 2HB LYS 17 6.811 9.745 -1.493
69 HB3 LYS 17 1HB LYS 17 5.455 10.666 -2.145
70 HG2 LYS 17 2HG LYS 17 5.200 11.933 -0.201
71 HG3 LYS 17 1HG LYS 17 5.973 10.717 0.816
72 HD2 LYS 17 2HD LYS 17 7.465 12.636 0.520
73 HD3 LYS 17 1HD LYS 17 8.145 11.211 -0.266
74 HE2 LYS 17 2HE LYS 17 7.546 11.979 -2.429
75 HE3 LYS 17 1HE LYS 17 6.435 13.187 -1.780
76 HZ1 LYS 17 3HZ LYS 17 8.133 14.592 -1.974
77 HZ2 LYS 17 1HZ LYS 17 9.265 13.349 -2.198
78 HZ3 LYS 17 2HZ LYS 17 8.815 13.812 -0.627
79 H TRP 18 H TRP 18 2.462 9.323 -1.511
80 HA TRP 18 HA TRP 18 2.801 7.975 -4.103
81 HB2 TRP 18 2HB TRP 18 1.132 7.052 -1.811
82 HB3 TRP 18 1HB TRP 18 0.413 6.946 -3.416
83 HD1 TRP 18 HD TRP 18 3.766 5.978 -1.722
84 HE1 TRP 18 1HE TRP 18 4.557 3.749 -2.743
85 HE3 TRP 18 3HE TRP 18 0.065 5.216 -5.158
86 HZ2 TRP 18 2HZ TRP 18 3.729 1.884 -4.748
87 HZ3 TRP 18 3HZ TRP 18 0.090 3.205 -6.606
88 HH2 TRP 18 HH TRP 18 1.915 1.538 -6.406
89 H LYS 19 H LYS 19 0.769 8.237 -5.447
90 HA LYS 19 HA LYS 19 -0.336 10.946 -5.001
91 HB2 LYS 19 2HB LYS 19 0.094 9.363 -7.545
92 HB3 LYS 19 1HB LYS 19 -0.769 10.898 -7.474
93 HG2 LYS 19 2HG LYS 19 1.339 11.712 -7.937
94 HG3 LYS 19 1HG LYS 19 1.469 11.646 -6.180
95 HD2 LYS 19 2HD LYS 19 2.409 9.309 -6.431
96 HD3 LYS 19 1HD LYS 19 2.466 9.592 -8.170
97 HE2 LYS 19 2HE LYS 19 4.005 10.998 -5.991
98 HE3 LYS 19 1HE LYS 19 4.628 10.194 -7.432
99 HZ1 LYS 19 3HZ LYS 19 2.934 12.630 -7.483
100 HZ2 LYS 19 1HZ LYS 19 3.715 11.903 -8.803
101 HZ3 LYS 19 2HZ LYS 19 4.630 12.646 -7.579
102 H TYR 20 H TYR 20 -2.518 11.296 -5.101
103 HA TYR 20 HA TYR 20 -4.285 9.317 -4.290
104 HB2 TYR 20 2HB TYR 20 -4.772 11.714 -4.093
105 HB3 TYR 20 1HB TYR 20 -4.915 11.835 -5.847
106 HD1 TYR 20 1HD TYR 20 -6.804 10.815 -7.039
107 HD2 TYR 20 2HD TYR 20 -6.486 10.606 -2.760
108 HE1 TYR 20 1HE TYR 20 -9.178 10.112 -6.897
109 HE2 TYR 20 2HE TYR 20 -8.860 9.902 -2.619
110 HH TYR 20 HH TYR 20 -10.576 8.715 -5.099
111 H ALA 21 H ALA 21 -3.564 10.460 -7.569
112 HA ALA 21 HA ALA 21 -5.529 8.899 -8.891
113 HB1 ALA 21 1HB ALA 21 -2.883 9.850 -10.007
114 HB2 ALA 21 2HB ALA 21 -4.326 10.857 -9.890
115 HB3 ALA 21 3HB ALA 21 -4.330 9.426 -10.920
116 H GLU 22 H GLU 22 -2.179 8.288 -7.964
117 HA GLU 22 HA GLU 22 -1.934 5.807 -9.360
118 HB2 GLU 22 2HB GLU 22 -0.385 7.147 -7.153
119 HB3 GLU 22 1HB GLU 22 -0.001 5.504 -7.663
120 HG2 GLU 22 2HG GLU 22 1.294 7.399 -8.818
121 HG3 GLU 22 1HG GLU 22 0.548 6.197 -9.865
122 H LEU 23 H LEU 23 -2.648 6.656 -5.976
123 HA LEU 23 HA LEU 23 -2.849 4.019 -5.001
124 HB2 LEU 23 2HB LEU 23 -4.273 6.513 -4.045
125 HB3 LEU 23 1HB LEU 23 -4.100 5.017 -3.130
126 HG LEU 23 HG LEU 23 -1.687 6.475 -4.206
127 HD11 LEU 23 1HD1 LEU 23 -1.489 7.610 -2.039
128 HD12 LEU 23 2HD1 LEU 23 -3.010 6.893 -1.509
129 HD13 LEU 23 3HD1 LEU 23 -2.999 8.065 -2.826
130 HD21 LEU 23 3HD2 LEU 23 -1.205 4.254 -3.436
131 HD22 LEU 23 1HD2 LEU 23 -2.207 4.463 -1.999
132 HD23 LEU 23 2HD2 LEU 23 -0.686 5.340 -2.148
133 H ARG 24 H ARG 24 -5.299 6.228 -6.318
134 HA ARG 24 HA ARG 24 -7.481 4.424 -5.962
135 HB2 ARG 24 2HB ARG 24 -7.627 6.944 -6.260
136 HB3 ARG 24 1HB ARG 24 -7.318 6.671 -7.975
137 HG2 ARG 24 2HG ARG 24 -9.641 6.631 -7.963
138 HG3 ARG 24 1HG ARG 24 -9.295 4.918 -7.728
139 HD2 ARG 24 2HD ARG 24 -9.567 5.161 -5.310
140 HD3 ARG 24 1HD ARG 24 -9.805 6.897 -5.486
141 HE ARG 24 HE ARG 24 -11.681 5.299 -7.005
142 HH11 ARG 24 1HH2 ARG 24 -10.911 6.779 -3.973
143 HH12 ARG 24 2HH2 ARG 24 -12.558 6.883 -3.448
144 HH21 ARG 24 1HH1 ARG 24 -13.843 5.433 -6.324
145 HH22 ARG 24 2HH1 ARG 24 -14.218 6.121 -4.780
146 H ASP 25 H ASP 25 -5.237 5.093 -8.603
147 HA ASP 25 HA ASP 25 -6.589 3.501 -10.548
148 HB2 ASP 25 2HB ASP 25 -3.793 4.612 -10.340
149 HB3 ASP 25 1HB ASP 25 -4.305 3.613 -11.696
150 H THR 26 H THR 26 -3.765 2.931 -8.451
151 HA THR 26 HA THR 26 -3.087 0.376 -9.303
152 HB THR 26 HB THR 26 -3.013 1.357 -6.441
153 HG1 THR 26 1HG THR 26 -1.768 2.216 -8.674
154 HG21 THR 26 3HG2 THR 26 -1.391 -0.688 -7.980
155 HG22 THR 26 1HG2 THR 26 -2.526 -1.021 -6.672
156 HG23 THR 26 2HG2 THR 26 -1.029 -0.149 -6.341
157 H ILE 27 H ILE 27 -5.615 1.400 -7.062
158 HA ILE 27 HA ILE 27 -6.351 -1.305 -6.358
159 HB ILE 27 HB ILE 27 -7.765 1.329 -5.882
160 HG12 ILE 27 2HG1 ILE 27 -6.160 -0.377 -3.960
161 HG13 ILE 27 1HG1 ILE 27 -5.470 0.987 -4.839
162 HG21 ILE 27 1HG2 ILE 27 -9.410 -0.372 -5.696
163 HG22 ILE 27 2HG2 ILE 27 -8.859 -0.107 -4.041
164 HG23 ILE 27 3HG2 ILE 27 -8.276 -1.500 -4.952
165 HD11 ILE 27 3HD1 ILE 27 -6.358 1.475 -2.478
166 HD12 ILE 27 1HD1 ILE 27 -7.969 1.270 -3.163
167 HD13 ILE 27 2HD1 ILE 27 -6.910 2.545 -3.766
168 H ASN 28 H ASN 28 -7.171 0.990 -8.816
169 HA ASN 28 HA ASN 28 -9.543 -0.574 -9.609
170 HB2 ASN 28 2HB ASN 28 -8.567 2.189 -10.325
171 HB3 ASN 28 1HB ASN 28 -9.858 1.387 -11.215
172 HD21 ASN 28 1HD2 ASN 28 -8.990 1.981 -7.752
173 HD22 ASN 28 2HD2 ASN 28 -10.576 2.355 -7.278
174 H THR 29 H THR 29 -6.428 -0.929 -10.071
175 HA THR 29 HA THR 29 -6.753 -1.792 -12.874
176 HB THR 29 HB THR 29 -4.438 -1.010 -13.348
177 HG1 THR 29 1HG THR 29 -3.650 0.579 -11.816
178 HG21 THR 29 3HG2 THR 29 -6.425 1.086 -12.430
179 HG22 THR 29 1HG2 THR 29 -6.316 0.374 -14.039
180 HG23 THR 29 2HG2 THR 29 -5.022 1.416 -13.447
181 H SER 30 H SER 30 -4.676 -1.910 -9.981
182 HA SER 30 HA SER 30 -3.661 -4.537 -10.772
183 HB2 SER 30 2HB SER 30 -2.328 -2.573 -9.643
184 HB3 SER 30 1HB SER 30 -3.020 -3.216 -8.156
185 HG SER 30 HG SER 30 -1.443 -4.580 -10.086
186 H CYS 31 H CYS 31 -3.453 -6.102 -8.781
187 HA CYS 31 HA CYS 31 -5.726 -6.080 -6.987
188 HB2 CYS 31 2HB CYS 31 -6.587 -6.991 -9.206
189 HB3 CYS 31 1HB CYS 31 -5.516 -8.368 -8.945
190 HG CYS 31 HG CYS 31 -8.181 -8.180 -7.734
191 H ASP 32 H ASP 32 -5.025 -6.870 -5.122
192 HA ASP 32 HA ASP 32 -3.616 -9.310 -4.845
193 HB2 ASP 32 2HB ASP 32 -1.870 -7.495 -5.718
194 HB3 ASP 32 1HB ASP 32 -1.845 -7.051 -4.014
195 H ILE 33 H ILE 33 -3.211 -9.845 -2.620
196 HA ILE 33 HA ILE 33 -5.051 -8.510 -0.818
197 HB ILE 33 HB ILE 33 -3.178 -10.790 -0.173
198 HG12 ILE 33 2HG1 ILE 33 -4.394 -11.469 -2.146
199 HG13 ILE 33 1HG1 ILE 33 -5.163 -12.243 -0.761
200 HG21 ILE 33 1HG2 ILE 33 -5.077 -11.340 1.400
201 HG22 ILE 33 2HG2 ILE 33 -5.802 -9.792 0.966
202 HG23 ILE 33 3HG2 ILE 33 -4.234 -9.837 1.772
203 HD11 ILE 33 3HD1 ILE 33 -6.725 -10.171 -0.734
204 HD12 ILE 33 1HD1 ILE 33 -6.982 -11.382 -1.991
205 HD13 ILE 33 2HD1 ILE 33 -6.131 -9.883 -2.369
206 H GLU 34 H GLU 34 -1.814 -8.164 -1.661
207 HA GLU 34 HA GLU 34 -1.012 -7.144 0.980
208 HB2 GLU 34 2HB GLU 34 0.734 -7.342 -1.470
209 HB3 GLU 34 1HB GLU 34 1.225 -7.276 0.223
210 HG2 GLU 34 2HG GLU 34 0.069 -9.475 0.581
211 HG3 GLU 34 1HG GLU 34 -0.223 -9.553 -1.156
212 H LEU 35 H LEU 35 -0.691 -6.099 -2.431
213 HA LEU 35 HA LEU 35 -0.034 -3.444 -1.925
214 HB2 LEU 35 2HB LEU 35 -1.420 -4.793 -4.230
215 HB3 LEU 35 1HB LEU 35 -1.174 -3.050 -4.227
216 HG LEU 35 HG LEU 35 1.043 -5.086 -3.844
217 HD11 LEU 35 1HD1 LEU 35 0.495 -3.402 -6.298
218 HD12 LEU 35 2HD1 LEU 35 -0.097 -5.056 -6.131
219 HD13 LEU 35 3HD1 LEU 35 1.638 -4.735 -6.132
220 HD21 LEU 35 3HD2 LEU 35 0.874 -2.103 -3.831
221 HD22 LEU 35 1HD2 LEU 35 2.259 -2.813 -4.660
222 HD23 LEU 35 2HD2 LEU 35 1.973 -3.171 -2.958
223 H LEU 36 H LEU 36 -3.276 -4.802 -2.563
224 HA LEU 36 HA LEU 36 -4.732 -2.438 -2.268
225 HB2 LEU 36 2HB LEU 36 -5.559 -5.258 -1.534
226 HB3 LEU 36 1HB LEU 36 -6.658 -3.897 -1.753
227 HG LEU 36 HG LEU 36 -4.792 -4.994 -3.880
228 HD11 LEU 36 1HD1 LEU 36 -7.813 -5.109 -3.829
229 HD12 LEU 36 2HD1 LEU 36 -6.818 -6.408 -3.170
230 HD13 LEU 36 3HD1 LEU 36 -6.706 -5.993 -4.879
231 HD21 LEU 36 3HD2 LEU 36 -6.657 -2.648 -3.724
232 HD22 LEU 36 1HD2 LEU 36 -6.496 -3.495 -5.262
233 HD23 LEU 36 2HD2 LEU 36 -5.079 -2.772 -4.502
234 H ALA 37 H ALA 37 -3.901 -4.878 0.191
235 HA ALA 37 HA ALA 37 -5.156 -3.616 2.366
236 HB1 ALA 37 1HB ALA 37 -3.561 -4.945 3.759
237 HB2 ALA 37 2HB ALA 37 -2.723 -5.414 2.280
238 HB3 ALA 37 3HB ALA 37 -4.395 -5.909 2.541
239 H ALA 38 H ALA 38 -2.000 -3.153 0.884
240 HA ALA 38 HA ALA 38 -1.004 -1.413 2.944
241 HB1 ALA 38 1HB ALA 38 0.919 -1.204 1.624
242 HB2 ALA 38 2HB ALA 38 0.034 -1.470 0.121
243 HB3 ALA 38 3HB ALA 38 0.333 -2.817 1.219
244 H CYS 39 H CYS 39 -2.433 -0.956 -0.269
245 HA CYS 39 HA CYS 39 -2.165 1.855 -0.377
246 HB2 CYS 39 2HB CYS 39 -2.725 0.294 -2.297
247 HB3 CYS 39 1HB CYS 39 -4.370 0.240 -1.664
248 HG CYS 39 HG CYS 39 -4.256 2.209 -3.386
249 H ARG 40 H ARG 40 -4.904 -0.200 0.604
250 HA ARG 40 HA ARG 40 -6.735 1.803 1.219
251 HB2 ARG 40 2HB ARG 40 -6.314 -0.934 2.424
252 HB3 ARG 40 1HB ARG 40 -7.680 0.101 2.843
253 HG2 ARG 40 2HG ARG 40 -8.437 0.141 0.544
254 HG3 ARG 40 1HG ARG 40 -6.991 -0.713 0.007
255 HD2 ARG 40 2HD ARG 40 -8.957 -2.225 0.214
256 HD3 ARG 40 1HD ARG 40 -7.636 -2.690 1.281
257 HE ARG 40 HE ARG 40 -9.398 -0.955 2.665
258 HH11 ARG 40 1HH2 ARG 40 -9.171 -4.145 1.342
259 HH12 ARG 40 2HH2 ARG 40 -10.271 -4.845 2.481
260 HH21 ARG 40 1HH1 ARG 40 -10.842 -1.867 4.163
261 HH22 ARG 40 2HH1 ARG 40 -11.217 -3.555 4.079
262 H GLU 41 H GLU 41 -4.162 0.410 3.219
263 HA GLU 41 HA GLU 41 -4.785 1.594 5.663
264 HB2 GLU 41 2HB GLU 41 -2.181 0.773 4.395
265 HB3 GLU 41 1HB GLU 41 -2.214 1.521 5.992
266 HG2 GLU 41 2HG GLU 41 -3.984 -0.833 5.337
267 HG3 GLU 41 1HG GLU 41 -2.321 -1.065 5.872
268 H GLU 42 H GLU 42 -2.627 2.856 3.107
269 HA GLU 42 HA GLU 42 -2.271 5.372 4.444
270 HB2 GLU 42 2HB GLU 42 -1.213 6.054 2.270
271 HB3 GLU 42 1HB GLU 42 -0.516 4.601 2.987
272 HG2 GLU 42 2HG GLU 42 -1.879 3.193 1.511
273 HG3 GLU 42 1HG GLU 42 -2.629 4.627 0.813
274 H PHE 43 H PHE 43 -4.409 4.135 1.942
275 HA PHE 43 HA PHE 43 -5.409 6.552 0.941
276 HB2 PHE 43 2HB PHE 43 -5.848 4.157 0.115
277 HB3 PHE 43 1HB PHE 43 -7.112 4.097 1.343
278 HD1 PHE 43 1HD PHE 43 -5.968 5.820 -1.731
279 HD2 PHE 43 2HD PHE 43 -9.158 5.347 1.108
280 HE1 PHE 43 1HE PHE 43 -7.496 7.060 -3.241
281 HE2 PHE 43 2HE PHE 43 -10.685 6.588 -0.403
282 HZ PHE 43 HZ PHE 43 -9.853 7.445 -2.576
283 H HIS 44 H HIS 44 -6.144 4.782 3.878
284 HA HIS 44 HA HIS 44 -8.530 6.111 4.593
285 HB2 HIS 44 2HB HIS 44 -6.396 4.702 6.196
286 HB3 HIS 44 1HB HIS 44 -7.808 5.432 6.963
287 HD2 HIS 44 2HD HIS 44 -8.532 3.787 3.527
288 HE1 HIS 44 1HE HIS 44 -9.867 1.097 6.494
289 HE2 HIS 44 2HE HIS 44 -9.871 1.597 4.004
290 H ARG 45 H ARG 45 -5.135 6.933 5.008
291 HA ARG 45 HA ARG 45 -5.547 9.098 6.821
292 HB2 ARG 45 2HB ARG 45 -3.237 8.810 4.899
293 HB3 ARG 45 1HB ARG 45 -3.252 9.615 6.468
294 HG2 ARG 45 2HG ARG 45 -3.737 7.402 7.539
295 HG3 ARG 45 1HG ARG 45 -3.541 6.642 5.959
296 HD2 ARG 45 2HD ARG 45 -1.241 7.725 5.859
297 HD3 ARG 45 1HD ARG 45 -1.457 8.144 7.556
298 HE ARG 45 HE ARG 45 -1.966 5.440 7.431
299 HH11 ARG 45 1HH2 ARG 45 0.611 7.565 6.526
300 HH12 ARG 45 2HH2 ARG 45 1.856 6.389 6.783
301 HH21 ARG 45 1HH1 ARG 45 -0.339 3.892 7.768
302 HH22 ARG 45 2HH1 ARG 45 1.319 4.308 7.485
303 H ARG 46 H ARG 46 -5.656 8.758 3.348
304 HA ARG 46 HA ARG 46 -5.421 11.493 2.651
305 HB2 ARG 46 2HB ARG 46 -7.015 9.410 1.149
306 HB3 ARG 46 1HB ARG 46 -6.240 10.852 0.495
307 HG2 ARG 46 2HG ARG 46 -4.717 8.595 1.828
308 HG3 ARG 46 1HG ARG 46 -4.966 8.707 0.087
309 HD2 ARG 46 2HD ARG 46 -3.950 11.055 0.250
310 HD3 ARG 46 1HD ARG 46 -3.437 10.603 1.873
311 HE ARG 46 HE ARG 46 -2.469 8.558 0.418
312 HH11 ARG 46 1HH2 ARG 46 -2.425 11.987 -0.045
313 HH12 ARG 46 2HH2 ARG 46 -0.915 11.992 -0.893
314 HH21 ARG 46 1HH1 ARG 46 -0.488 8.557 -0.693
315 HH22 ARG 46 2HH1 ARG 46 0.182 10.050 -1.260
316 H LEU 47 H LEU 47 -8.130 9.499 3.673
317 HA LEU 47 HA LEU 47 -10.240 11.209 2.959
318 HB2 LEU 47 2HB LEU 47 -10.198 9.506 5.449
319 HB3 LEU 47 1HB LEU 47 -11.586 9.945 4.454
320 HG LEU 47 HG LEU 47 -9.292 8.128 3.664
321 HD11 LEU 47 1HD1 LEU 47 -11.094 6.444 3.476
322 HD12 LEU 47 2HD1 LEU 47 -12.266 7.645 4.022
323 HD13 LEU 47 3HD1 LEU 47 -10.995 7.094 5.113
324 HD21 LEU 47 3HD2 LEU 47 -9.834 9.303 1.679
325 HD22 LEU 47 1HD2 LEU 47 -11.551 9.360 2.079
326 HD23 LEU 47 2HD2 LEU 47 -10.810 7.838 1.584
327 H LYS 48 H LYS 48 -8.353 11.008 5.966
328 HA LYS 48 HA LYS 48 -9.700 13.303 7.110
329 HB2 LYS 48 2HB LYS 48 -8.684 11.260 8.358
330 HB3 LYS 48 1HB LYS 48 -7.148 12.103 8.161
331 HG2 LYS 48 2HG LYS 48 -7.824 12.989 10.194
332 HG3 LYS 48 1HG LYS 48 -8.549 14.165 9.099
333 HD2 LYS 48 2HD LYS 48 -10.660 12.772 9.141
334 HD3 LYS 48 1HD LYS 48 -9.918 11.805 10.416
335 HE2 LYS 48 2HE LYS 48 -9.606 13.907 11.748
336 HE3 LYS 48 1HE LYS 48 -10.512 14.776 10.509
337 HZ1 LYS 48 3HZ LYS 48 -11.616 12.374 11.830
338 HZ2 LYS 48 1HZ LYS 48 -12.442 13.590 10.984
339 HZ3 LYS 48 2HZ LYS 48 -11.788 13.918 12.517
340 H VAL 49 H VAL 49 -6.425 12.571 5.918
341 HA VAL 49 HA VAL 49 -5.702 15.403 6.043
342 HB VAL 49 HB VAL 49 -4.120 12.940 5.269
343 HG11 VAL 49 1HG1 VAL 49 -3.394 15.872 5.403
344 HG12 VAL 49 2HG1 VAL 49 -3.164 14.756 4.057
345 HG13 VAL 49 3HG1 VAL 49 -2.180 14.598 5.513
346 HG21 VAL 49 3HG2 VAL 49 -4.729 13.162 7.678
347 HG22 VAL 49 1HG2 VAL 49 -3.979 14.758 7.697
348 HG23 VAL 49 2HG2 VAL 49 -2.994 13.323 7.411
349 H TYR 50 H TYR 50 -5.675 16.729 4.332
350 HA TYR 50 HA TYR 50 -5.646 15.622 1.614
351 HB2 TYR 50 2HB TYR 50 -7.550 17.097 0.965
352 HB3 TYR 50 1HB TYR 50 -8.017 15.818 2.086
353 HD1 TYR 50 2HD TYR 50 -8.275 16.340 4.535
354 HD2 TYR 50 1HD TYR 50 -7.719 19.402 1.573
355 HE1 TYR 50 2HE TYR 50 -9.100 18.042 6.139
356 HE2 TYR 50 1HE TYR 50 -8.543 21.103 3.177
357 HH TYR 50 HH TYR 50 -9.534 21.429 5.162
358 H HIS 51 H HIS 51 -4.146 16.679 0.505
359 HA HIS 51 HA HIS 51 -2.762 18.934 1.419
360 HB2 HIS 51 2HB HIS 51 -3.043 18.204 -1.494
361 HB3 HIS 51 1HB HIS 51 -1.665 18.947 -0.683
362 HD2 HIS 51 2HD HIS 51 -3.257 15.383 -1.134
363 HE1 HIS 51 1HE HIS 51 0.392 14.938 0.941
364 HE2 HIS 51 2HE HIS 51 -1.507 13.690 -0.192
Start of MODEL 2
1 H1 GLY 9 H GLY 9 3.530 -10.988 8.789
2 HA2 GLY 9 2HA GLY 9 3.117 -10.474 6.549
3 HA3 GLY 9 1HA GLY 9 3.991 -8.960 6.756
4 H THR 10 H THR 10 4.628 -10.059 4.514
5 HA THR 10 HA THR 10 7.314 -11.168 4.950
6 HB THR 10 HB THR 10 6.873 -12.782 3.035
7 HG1 THR 10 1HG THR 10 4.221 -12.878 3.652
8 HG21 THR 10 3HG2 THR 10 7.028 -13.500 5.389
9 HG22 THR 10 1HG2 THR 10 5.822 -14.445 4.519
10 HG23 THR 10 2HG2 THR 10 5.312 -13.155 5.608
11 H LYS 11 H LYS 11 8.377 -9.406 4.182
12 HA LYS 11 HA LYS 11 9.182 -7.861 2.686
13 HB2 LYS 11 2HB LYS 11 9.532 -10.053 1.431
14 HB3 LYS 11 1HB LYS 11 8.064 -9.660 0.536
15 HG2 LYS 11 2HG LYS 11 9.128 -7.423 -0.021
16 HG3 LYS 11 1HG LYS 11 10.630 -8.059 0.651
17 HD2 LYS 11 2HD LYS 11 10.666 -9.858 -0.972
18 HD3 LYS 11 1HD LYS 11 9.071 -9.404 -1.572
19 HE2 LYS 11 2HE LYS 11 9.895 -7.344 -2.473
20 HE3 LYS 11 1HE LYS 11 11.434 -7.516 -1.630
21 HZ1 LYS 11 3HZ LYS 11 11.336 -8.142 -4.087
22 HZ2 LYS 11 1HZ LYS 11 10.527 -9.541 -3.575
23 HZ3 LYS 11 2HZ LYS 11 12.104 -9.224 -3.025
24 H LYS 12 H LYS 12 7.944 -6.070 3.011
25 HA LYS 12 HA LYS 12 5.401 -5.843 1.527
26 HB2 LYS 12 2HB LYS 12 5.117 -3.783 3.013
27 HB3 LYS 12 1HB LYS 12 5.048 -5.350 3.822
28 HG2 LYS 12 2HG LYS 12 7.736 -4.065 3.582
29 HG3 LYS 12 1HG LYS 12 6.603 -3.344 4.723
30 HD2 LYS 12 2HD LYS 12 6.992 -6.325 4.740
31 HD3 LYS 12 1HD LYS 12 8.196 -5.293 5.510
32 HE2 LYS 12 2HE LYS 12 6.635 -4.424 7.059
33 HE3 LYS 12 1HE LYS 12 5.256 -4.970 6.106
34 HZ1 LYS 12 3HZ LYS 12 5.303 -6.936 7.100
35 HZ2 LYS 12 1HZ LYS 12 6.438 -6.304 8.189
36 HZ3 LYS 12 2HZ LYS 12 6.965 -7.136 6.805
37 H TYR 13 H TYR 13 5.165 -3.138 1.323
38 HA TYR 13 HA TYR 13 7.469 -2.337 -0.363
39 HB2 TYR 13 2HB TYR 13 4.626 -1.514 -0.922
40 HB3 TYR 13 1HB TYR 13 6.018 -1.475 -2.004
41 HD1 TYR 13 2HD TYR 13 7.158 -3.783 -2.501
42 HD2 TYR 13 1HD TYR 13 3.156 -3.339 -1.005
43 HE1 TYR 13 2HE TYR 13 6.604 -6.064 -3.305
44 HE2 TYR 13 1HE TYR 13 2.602 -5.619 -1.808
45 HH TYR 13 HH TYR 13 4.253 -7.846 -2.296
46 H ASP 14 H ASP 14 7.935 -0.100 -0.447
47 HA ASP 14 HA ASP 14 7.096 1.347 1.969
48 HB2 ASP 14 2HB ASP 14 9.316 1.872 -0.022
49 HB3 ASP 14 1HB ASP 14 8.981 2.866 1.394
50 H LEU 15 H LEU 15 5.313 2.536 1.710
51 HA LEU 15 HA LEU 15 4.875 3.947 -0.845
52 HB2 LEU 15 2HB LEU 15 2.841 3.750 1.361
53 HB3 LEU 15 1HB LEU 15 2.585 3.948 -0.371
54 HG LEU 15 HG LEU 15 3.641 1.448 0.987
55 HD11 LEU 15 1HD1 LEU 15 0.968 2.214 -0.202
56 HD12 LEU 15 2HD1 LEU 15 1.304 1.597 1.417
57 HD13 LEU 15 3HD1 LEU 15 1.451 0.531 0.019
58 HD21 LEU 15 3HD2 LEU 15 3.342 0.470 -1.313
59 HD22 LEU 15 1HD2 LEU 15 4.617 1.685 -1.229
60 HD23 LEU 15 2HD2 LEU 15 3.046 2.100 -1.916
61 H SER 16 H SER 16 6.819 4.856 1.091
62 HA SER 16 HA SER 16 6.168 6.754 2.905
63 HB2 SER 16 2HB SER 16 8.244 7.119 0.734
64 HB3 SER 16 1HB SER 16 8.197 7.968 2.276
65 HG SER 16 HG SER 16 8.128 5.163 2.237
66 H LYS 17 H LYS 17 6.022 7.142 -0.612
67 HA LYS 17 HA LYS 17 4.181 9.398 -0.250
68 HB2 LYS 17 2HB LYS 17 6.789 9.510 -1.765
69 HB3 LYS 17 1HB LYS 17 5.456 10.606 -2.123
70 HG2 LYS 17 2HG LYS 17 6.658 10.266 0.641
71 HG3 LYS 17 1HG LYS 17 7.142 11.527 -0.487
72 HD2 LYS 17 2HD LYS 17 4.501 11.962 -0.566
73 HD3 LYS 17 1HD LYS 17 4.580 11.222 1.033
74 HE2 LYS 17 2HE LYS 17 6.235 13.594 0.117
75 HE3 LYS 17 1HE LYS 17 4.822 13.679 1.168
76 HZ1 LYS 17 3HZ LYS 17 7.521 12.859 1.772
77 HZ2 LYS 17 1HZ LYS 17 6.332 11.817 2.388
78 HZ3 LYS 17 2HZ LYS 17 6.312 13.466 2.800
79 H TRP 18 H TRP 18 2.506 9.257 -1.602
80 HA TRP 18 HA TRP 18 2.811 7.863 -4.171
81 HB2 TRP 18 2HB TRP 18 1.123 6.992 -1.869
82 HB3 TRP 18 1HB TRP 18 0.425 6.857 -3.481
83 HD1 TRP 18 HD TRP 18 3.701 5.869 -1.669
84 HE1 TRP 18 1HE TRP 18 4.520 3.636 -2.660
85 HE3 TRP 18 3HE TRP 18 0.158 5.155 -5.276
86 HZ2 TRP 18 2HZ TRP 18 3.768 1.787 -4.709
87 HZ3 TRP 18 3HZ TRP 18 0.232 3.151 -6.731
88 HH2 TRP 18 HH TRP 18 2.030 1.466 -6.452
89 H LYS 19 H LYS 19 0.774 8.138 -5.511
90 HA LYS 19 HA LYS 19 -0.203 10.901 -5.165
91 HB2 LYS 19 2HB LYS 19 -0.538 9.268 -7.666
92 HB3 LYS 19 1HB LYS 19 -0.457 11.019 -7.489
93 HG2 LYS 19 2HG LYS 19 1.840 9.077 -7.077
94 HG3 LYS 19 1HG LYS 19 1.635 10.159 -8.453
95 HD2 LYS 19 2HD LYS 19 2.041 10.990 -5.562
96 HD3 LYS 19 1HD LYS 19 3.208 11.149 -6.871
97 HE2 LYS 19 2HE LYS 19 1.265 12.502 -8.040
98 HE3 LYS 19 1HE LYS 19 0.690 12.707 -6.386
99 HZ1 LYS 19 3HZ LYS 19 3.497 13.257 -7.128
100 HZ2 LYS 19 1HZ LYS 19 2.640 13.791 -5.766
101 HZ3 LYS 19 2HZ LYS 19 2.288 14.440 -7.296
102 H TYR 20 H TYR 20 -2.350 11.375 -5.058
103 HA TYR 20 HA TYR 20 -4.161 9.556 -4.009
104 HB2 TYR 20 2HB TYR 20 -4.422 12.036 -3.976
105 HB3 TYR 20 1HB TYR 20 -4.854 11.978 -5.685
106 HD1 TYR 20 2HD TYR 20 -6.945 10.901 -6.427
107 HD2 TYR 20 1HD TYR 20 -5.939 11.227 -2.263
108 HE1 TYR 20 2HE TYR 20 -9.286 10.354 -5.819
109 HE2 TYR 20 1HE TYR 20 -8.281 10.680 -1.655
110 HH TYR 20 HH TYR 20 -10.507 9.415 -3.877
111 H ALA 21 H ALA 21 -3.371 10.250 -7.349
112 HA ALA 21 HA ALA 21 -5.606 8.766 -8.428
113 HB1 ALA 21 1HB ALA 21 -4.298 9.051 -10.592
114 HB2 ALA 21 2HB ALA 21 -3.128 9.978 -9.654
115 HB3 ALA 21 3HB ALA 21 -4.792 10.543 -9.789
116 H GLU 22 H GLU 22 -2.103 8.248 -8.086
117 HA GLU 22 HA GLU 22 -1.933 5.751 -9.333
118 HB2 GLU 22 2HB GLU 22 -0.347 6.999 -7.088
119 HB3 GLU 22 1HB GLU 22 0.054 5.418 -7.756
120 HG2 GLU 22 2HG GLU 22 -0.291 7.849 -9.514
121 HG3 GLU 22 1HG GLU 22 1.260 7.439 -8.784
122 H LEU 23 H LEU 23 -2.617 6.562 -5.941
123 HA LEU 23 HA LEU 23 -2.754 3.938 -4.946
124 HB2 LEU 23 2HB LEU 23 -4.264 6.402 -4.045
125 HB3 LEU 23 1HB LEU 23 -4.081 4.920 -3.108
126 HG LEU 23 HG LEU 23 -1.705 6.471 -4.147
127 HD11 LEU 23 1HD1 LEU 23 -1.553 7.524 -1.933
128 HD12 LEU 23 2HD1 LEU 23 -3.044 6.722 -1.436
129 HD13 LEU 23 3HD1 LEU 23 -3.081 7.947 -2.705
130 HD21 LEU 23 3HD2 LEU 23 -1.059 4.287 -3.472
131 HD22 LEU 23 1HD2 LEU 23 -2.156 4.298 -2.092
132 HD23 LEU 23 2HD2 LEU 23 -0.702 5.295 -2.071
133 H ARG 24 H ARG 24 -5.346 6.069 -6.153
134 HA ARG 24 HA ARG 24 -7.395 4.100 -5.887
135 HB2 ARG 24 2HB ARG 24 -7.716 6.620 -6.012
136 HB3 ARG 24 1HB ARG 24 -7.425 6.481 -7.745
137 HG2 ARG 24 2HG ARG 24 -9.733 6.268 -7.717
138 HG3 ARG 24 1HG ARG 24 -9.273 4.574 -7.564
139 HD2 ARG 24 2HD ARG 24 -9.318 5.018 -5.005
140 HD3 ARG 24 1HD ARG 24 -10.232 6.464 -5.419
141 HE ARG 24 HE ARG 24 -11.441 4.323 -6.745
142 HH11 ARG 24 1HH2 ARG 24 -10.765 5.381 -3.522
143 HH12 ARG 24 2HH2 ARG 24 -12.156 4.615 -2.829
144 HH21 ARG 24 1HH1 ARG 24 -13.267 3.315 -5.845
145 HH22 ARG 24 2HH1 ARG 24 -13.572 3.446 -4.146
146 H ASP 25 H ASP 25 -5.118 4.953 -8.401
147 HA ASP 25 HA ASP 25 -6.421 3.532 -10.515
148 HB2 ASP 25 2HB ASP 25 -4.756 5.351 -10.877
149 HB3 ASP 25 1HB ASP 25 -3.499 4.277 -10.263
150 H THR 26 H THR 26 -3.622 2.783 -8.434
151 HA THR 26 HA THR 26 -3.001 0.268 -9.436
152 HB THR 26 HB THR 26 -2.900 0.973 -6.502
153 HG1 THR 26 1HG THR 26 -1.655 2.540 -7.078
154 HG21 THR 26 3HG2 THR 26 -0.938 -0.465 -6.522
155 HG22 THR 26 1HG2 THR 26 -1.060 -0.660 -8.271
156 HG23 THR 26 2HG2 THR 26 -2.300 -1.343 -7.219
157 H ILE 27 H ILE 27 -5.529 1.231 -7.182
158 HA ILE 27 HA ILE 27 -6.291 -1.468 -6.520
159 HB ILE 27 HB ILE 27 -7.751 1.158 -6.130
160 HG12 ILE 27 2HG1 ILE 27 -6.251 -0.496 -4.088
161 HG13 ILE 27 1HG1 ILE 27 -5.475 0.800 -4.998
162 HG21 ILE 27 1HG2 ILE 27 -9.384 -0.557 -5.984
163 HG22 ILE 27 2HG2 ILE 27 -8.897 -0.270 -4.314
164 HG23 ILE 27 3HG2 ILE 27 -8.268 -1.667 -5.189
165 HD11 ILE 27 3HD1 ILE 27 -6.462 1.433 -2.710
166 HD12 ILE 27 1HD1 ILE 27 -8.042 1.244 -3.468
167 HD13 ILE 27 2HD1 ILE 27 -6.911 2.454 -4.077
168 H ASN 28 H ASN 28 -7.344 0.998 -8.810
169 HA ASN 28 HA ASN 28 -9.549 -0.676 -9.752
170 HB2 ASN 28 2HB ASN 28 -8.596 2.096 -10.481
171 HB3 ASN 28 1HB ASN 28 -9.903 1.274 -11.332
172 HD21 ASN 28 1HD2 ASN 28 -9.012 1.681 -7.848
173 HD22 ASN 28 2HD2 ASN 28 -10.569 2.155 -7.365
174 H THR 29 H THR 29 -6.666 -1.436 -10.083
175 HA THR 29 HA THR 29 -6.847 -2.149 -12.901
176 HB THR 29 HB THR 29 -4.524 -1.350 -13.359
177 HG1 THR 29 1HG THR 29 -4.325 -1.099 -10.878
178 HG21 THR 29 3HG2 THR 29 -6.303 0.935 -12.501
179 HG22 THR 29 1HG2 THR 29 -6.666 -0.060 -13.911
180 HG23 THR 29 2HG2 THR 29 -5.177 0.883 -13.856
181 H SER 30 H SER 30 -4.569 -2.114 -10.148
182 HA SER 30 HA SER 30 -3.607 -4.769 -10.834
183 HB2 SER 30 2HB SER 30 -2.274 -2.764 -9.792
184 HB3 SER 30 1HB SER 30 -2.933 -3.361 -8.270
185 HG SER 30 HG SER 30 -1.111 -4.521 -10.035
186 H CYS 31 H CYS 31 -3.313 -6.246 -8.766
187 HA CYS 31 HA CYS 31 -5.563 -6.224 -6.948
188 HB2 CYS 31 2HB CYS 31 -6.582 -8.268 -7.669
189 HB3 CYS 31 1HB CYS 31 -6.466 -7.227 -9.088
190 HG CYS 31 HG CYS 31 -5.448 -9.860 -9.251
191 H ASP 32 H ASP 32 -4.818 -6.933 -5.066
192 HA ASP 32 HA ASP 32 -3.322 -9.319 -4.738
193 HB2 ASP 32 2HB ASP 32 -1.656 -7.462 -5.676
194 HB3 ASP 32 1HB ASP 32 -1.630 -6.973 -3.986
195 H ILE 33 H ILE 33 -3.015 -9.851 -2.535
196 HA ILE 33 HA ILE 33 -4.846 -8.512 -0.750
197 HB ILE 33 HB ILE 33 -2.907 -10.775 -0.205
198 HG12 ILE 33 2HG1 ILE 33 -5.876 -10.920 -0.791
199 HG13 ILE 33 1HG1 ILE 33 -4.643 -11.144 -2.034
200 HG21 ILE 33 1HG2 ILE 33 -4.708 -11.212 1.605
201 HG22 ILE 33 2HG2 ILE 33 -5.200 -9.543 1.326
202 HG23 ILE 33 3HG2 ILE 33 -3.568 -9.900 1.890
203 HD11 ILE 33 3HD1 ILE 33 -3.650 -12.977 -0.663
204 HD12 ILE 33 1HD1 ILE 33 -5.306 -13.324 -1.160
205 HD13 ILE 33 2HD1 ILE 33 -4.972 -12.794 0.489
206 H GLU 34 H GLU 34 -1.678 -7.967 -1.647
207 HA GLU 34 HA GLU 34 -0.897 -6.872 0.978
208 HB2 GLU 34 2HB GLU 34 0.829 -7.115 -1.487
209 HB3 GLU 34 1HB GLU 34 1.348 -6.882 0.182
210 HG2 GLU 34 2HG GLU 34 -0.031 -9.340 -0.934
211 HG3 GLU 34 1HG GLU 34 1.663 -9.223 -0.463
212 H LEU 35 H LEU 35 -0.592 -5.927 -2.461
213 HA LEU 35 HA LEU 35 -0.079 -3.227 -2.040
214 HB2 LEU 35 2HB LEU 35 -1.416 -4.681 -4.318
215 HB3 LEU 35 1HB LEU 35 -1.123 -2.945 -4.365
216 HG LEU 35 HG LEU 35 1.032 -5.020 -3.864
217 HD11 LEU 35 1HD1 LEU 35 1.706 -4.696 -6.163
218 HD12 LEU 35 2HD1 LEU 35 0.485 -3.445 -6.395
219 HD13 LEU 35 3HD1 LEU 35 -0.006 -5.123 -6.159
220 HD21 LEU 35 3HD2 LEU 35 2.340 -2.833 -4.724
221 HD22 LEU 35 1HD2 LEU 35 1.959 -3.077 -3.020
222 HD23 LEU 35 2HD2 LEU 35 0.941 -2.031 -4.011
223 H LEU 36 H LEU 36 -3.234 -4.774 -2.680
224 HA LEU 36 HA LEU 36 -4.810 -2.474 -2.478
225 HB2 LEU 36 2HB LEU 36 -5.519 -5.307 -1.671
226 HB3 LEU 36 1HB LEU 36 -6.672 -4.005 -1.967
227 HG LEU 36 HG LEU 36 -4.711 -5.112 -4.001
228 HD11 LEU 36 1HD1 LEU 36 -7.672 -5.506 -3.536
229 HD12 LEU 36 2HD1 LEU 36 -6.421 -6.739 -3.702
230 HD13 LEU 36 3HD1 LEU 36 -6.929 -5.802 -5.107
231 HD21 LEU 36 3HD2 LEU 36 -6.416 -3.707 -5.482
232 HD22 LEU 36 1HD2 LEU 36 -5.034 -2.924 -4.716
233 HD23 LEU 36 2HD2 LEU 36 -6.633 -2.808 -3.981
234 H ALA 37 H ALA 37 -3.942 -4.831 0.049
235 HA ALA 37 HA ALA 37 -5.255 -3.509 2.168
236 HB1 ALA 37 1HB ALA 37 -4.584 -5.768 2.521
237 HB2 ALA 37 2HB ALA 37 -3.590 -4.796 3.604
238 HB3 ALA 37 3HB ALA 37 -2.910 -5.411 2.097
239 H ALA 38 H ALA 38 -2.062 -3.137 0.738
240 HA ALA 38 HA ALA 38 -1.085 -1.348 2.766
241 HB1 ALA 38 1HB ALA 38 0.278 -2.825 1.131
242 HB2 ALA 38 2HB ALA 38 0.869 -1.199 1.476
243 HB3 ALA 38 3HB ALA 38 0.013 -1.525 -0.031
244 H CYS 39 H CYS 39 -2.778 -1.030 -0.282
245 HA CYS 39 HA CYS 39 -2.336 1.776 -0.607
246 HB2 CYS 39 2HB CYS 39 -3.059 0.054 -2.383
247 HB3 CYS 39 1HB CYS 39 -4.684 0.263 -1.731
248 HG CYS 39 HG CYS 39 -3.559 2.980 -2.278
249 H ARG 40 H ARG 40 -5.156 -0.113 0.496
250 HA ARG 40 HA ARG 40 -6.854 1.999 1.108
251 HB2 ARG 40 2HB ARG 40 -6.576 -0.818 2.020
252 HB3 ARG 40 1HB ARG 40 -7.551 0.244 3.036
253 HG2 ARG 40 2HG ARG 40 -8.987 -0.822 1.379
254 HG3 ARG 40 1HG ARG 40 -8.871 0.900 1.018
255 HD2 ARG 40 2HD ARG 40 -7.072 0.391 -0.635
256 HD3 ARG 40 1HD ARG 40 -7.307 -1.325 -0.321
257 HE ARG 40 HE ARG 40 -9.053 0.408 -1.860
258 HH11 ARG 40 1HH2 ARG 40 -8.683 -2.523 -0.059
259 HH12 ARG 40 2HH2 ARG 40 -10.005 -3.329 -0.837
260 HH21 ARG 40 1HH1 ARG 40 -10.787 -0.643 -2.885
261 HH22 ARG 40 2HH1 ARG 40 -11.195 -2.265 -2.436
262 H GLU 41 H GLU 41 -4.169 0.673 2.961
263 HA GLU 41 HA GLU 41 -4.645 1.841 5.445
264 HB2 GLU 41 2HB GLU 41 -2.119 1.128 3.973
265 HB3 GLU 41 1HB GLU 41 -2.053 1.893 5.559
266 HG2 GLU 41 2HG GLU 41 -3.755 -0.549 5.072
267 HG3 GLU 41 1HG GLU 41 -2.048 -0.689 5.485
268 H GLU 42 H GLU 42 -2.792 3.183 2.702
269 HA GLU 42 HA GLU 42 -2.414 5.722 3.986
270 HB2 GLU 42 2HB GLU 42 -2.209 5.386 1.015
271 HB3 GLU 42 1HB GLU 42 -1.188 6.317 2.110
272 HG2 GLU 42 2HG GLU 42 -1.260 3.311 1.773
273 HG3 GLU 42 1HG GLU 42 0.083 4.395 1.419
274 H PHE 43 H PHE 43 -4.599 4.468 1.493
275 HA PHE 43 HA PHE 43 -5.845 6.779 0.655
276 HB2 PHE 43 2HB PHE 43 -6.255 4.350 -0.082
277 HB3 PHE 43 1HB PHE 43 -7.401 4.268 1.256
278 HD1 PHE 43 2HD PHE 43 -9.380 5.782 1.308
279 HD2 PHE 43 1HD PHE 43 -6.735 5.613 -2.072
280 HE1 PHE 43 2HE PHE 43 -11.085 6.925 -0.082
281 HE2 PHE 43 1HE PHE 43 -8.441 6.756 -3.463
282 HZ PHE 43 HZ PHE 43 -10.616 7.412 -2.468
283 H HIS 44 H HIS 44 -6.252 5.047 3.682
284 HA HIS 44 HA HIS 44 -8.595 6.453 4.530
285 HB2 HIS 44 2HB HIS 44 -6.540 4.776 5.970
286 HB3 HIS 44 1HB HIS 44 -7.879 5.551 6.815
287 HD2 HIS 44 2HD HIS 44 -8.578 4.044 3.267
288 HE1 HIS 44 1HE HIS 44 -10.414 1.537 6.123
289 HE2 HIS 44 2HE HIS 44 -10.175 2.013 3.641
290 H ARG 45 H ARG 45 -5.136 6.998 4.825
291 HA ARG 45 HA ARG 45 -5.271 9.001 6.841
292 HB2 ARG 45 2HB ARG 45 -3.194 8.319 4.760
293 HB3 ARG 45 1HB ARG 45 -2.979 9.624 5.926
294 HG2 ARG 45 2HG ARG 45 -3.262 8.051 7.782
295 HG3 ARG 45 1HG ARG 45 -3.561 6.735 6.646
296 HD2 ARG 45 2HD ARG 45 -1.331 6.814 5.814
297 HD3 ARG 45 1HD ARG 45 -1.018 8.367 6.583
298 HE ARG 45 HE ARG 45 -1.551 6.783 8.706
299 HH11 ARG 45 1HH2 ARG 45 0.461 6.413 5.915
300 HH12 ARG 45 2HH2 ARG 45 1.629 5.419 6.717
301 HH21 ARG 45 1HH1 ARG 45 -0.022 5.479 9.767
302 HH22 ARG 45 2HH1 ARG 45 1.356 4.890 8.899
303 H ARG 46 H ARG 46 -5.763 9.029 3.393
304 HA ARG 46 HA ARG 46 -5.399 11.831 2.993
305 HB2 ARG 46 2HB ARG 46 -7.229 10.132 1.315
306 HB3 ARG 46 1HB ARG 46 -6.200 11.475 0.819
307 HG2 ARG 46 2HG ARG 46 -5.264 8.740 1.730
308 HG3 ARG 46 1HG ARG 46 -5.199 9.369 0.086
309 HD2 ARG 46 2HD ARG 46 -3.762 11.258 0.984
310 HD3 ARG 46 1HD ARG 46 -3.670 10.365 2.499
311 HE ARG 46 HE ARG 46 -2.851 8.493 0.776
312 HH11 ARG 46 1HH2 ARG 46 -2.089 11.861 1.028
313 HH12 ARG 46 2HH2 ARG 46 -0.492 11.688 0.380
314 HH21 ARG 46 1HH1 ARG 46 -0.759 8.261 -0.073
315 HH22 ARG 46 2HH1 ARG 46 0.261 9.652 -0.243
316 H LEU 47 H LEU 47 -8.158 9.800 3.831
317 HA LEU 47 HA LEU 47 -10.161 11.787 3.544
318 HB2 LEU 47 2HB LEU 47 -10.309 9.532 5.536
319 HB3 LEU 47 1HB LEU 47 -11.612 10.266 4.601
320 HG LEU 47 HG LEU 47 -9.374 8.519 3.543
321 HD11 LEU 47 1HD1 LEU 47 -12.390 8.193 3.574
322 HD12 LEU 47 2HD1 LEU 47 -11.257 7.333 4.618
323 HD13 LEU 47 3HD1 LEU 47 -11.240 7.052 2.877
324 HD21 LEU 47 3HD2 LEU 47 -11.460 10.195 2.132
325 HD22 LEU 47 1HD2 LEU 47 -10.681 8.816 1.354
326 HD23 LEU 47 2HD2 LEU 47 -9.714 10.195 1.878
327 H LYS 48 H LYS 48 -7.958 10.945 6.142
328 HA LYS 48 HA LYS 48 -9.152 12.228 8.302
329 HB2 LYS 48 2HB LYS 48 -7.015 10.826 8.270
330 HB3 LYS 48 1HB LYS 48 -6.181 12.298 7.766
331 HG2 LYS 48 2HG LYS 48 -6.936 13.462 9.774
332 HG3 LYS 48 1HG LYS 48 -7.882 12.057 10.265
333 HD2 LYS 48 2HD LYS 48 -5.685 10.742 10.206
334 HD3 LYS 48 1HD LYS 48 -4.873 12.306 10.099
335 HE2 LYS 48 2HE LYS 48 -6.180 12.988 12.177
336 HE3 LYS 48 1HE LYS 48 -6.643 11.292 12.334
337 HZ1 LYS 48 3HZ LYS 48 -3.918 12.448 12.416
338 HZ2 LYS 48 1HZ LYS 48 -4.200 10.787 12.224
339 HZ3 LYS 48 2HZ LYS 48 -4.722 11.578 13.633
340 H VAL 49 H VAL 49 -7.357 13.565 5.594
341 HA VAL 49 HA VAL 49 -7.168 16.211 6.720
342 HB VAL 49 HB VAL 49 -6.851 15.379 3.828
343 HG11 VAL 49 1HG1 VAL 49 -6.065 17.786 5.471
344 HG12 VAL 49 2HG1 VAL 49 -6.894 17.734 3.916
345 HG13 VAL 49 3HG1 VAL 49 -5.175 17.360 4.009
346 HG21 VAL 49 3HG2 VAL 49 -4.383 15.312 4.480
347 HG22 VAL 49 1HG2 VAL 49 -5.368 13.982 5.092
348 HG23 VAL 49 2HG2 VAL 49 -4.920 15.314 6.160
349 H TYR 50 H TYR 50 -9.756 14.510 5.757
350 HA TYR 50 HA TYR 50 -11.239 16.946 5.006
351 HB2 TYR 50 2HB TYR 50 -11.432 14.278 3.585
352 HB3 TYR 50 1HB TYR 50 -12.500 15.656 3.312
353 HD1 TYR 50 2HD TYR 50 -11.359 17.917 2.695
354 HD2 TYR 50 1HD TYR 50 -9.431 14.092 2.367
355 HE1 TYR 50 2HE TYR 50 -9.716 18.880 1.106
356 HE2 TYR 50 1HE TYR 50 -7.788 15.055 0.779
357 HH TYR 50 HH TYR 50 -7.950 18.493 -0.171
358 H HIS 51 H HIS 51 -11.470 16.395 7.480
359 HA HIS 51 HA HIS 51 -13.339 14.295 8.116
360 HB2 HIS 51 2HB HIS 51 -13.345 15.395 10.376
361 HB3 HIS 51 1HB HIS 51 -11.743 14.932 9.803
362 HD2 HIS 51 2HD HIS 51 -10.296 17.245 8.586
363 HE1 HIS 51 1HE HIS 51 -12.467 20.042 10.884
364 HE2 HIS 51 2HE HIS 51 -10.426 19.719 9.409
Start of MODEL 3
1 H1 GLY 9 H GLY 9 10.199 -15.341 -0.659
2 HA2 GLY 9 2HA GLY 9 12.232 -13.766 0.334
3 HA3 GLY 9 1HA GLY 9 12.403 -13.679 -1.416
4 H THR 10 H THR 10 9.960 -13.337 1.154
5 HA THR 10 HA THR 10 8.197 -11.775 -0.500
6 HB THR 10 HB THR 10 7.050 -11.353 1.744
7 HG1 THR 10 1HG THR 10 8.550 -11.692 3.239
8 HG21 THR 10 3HG2 THR 10 7.572 -14.228 0.937
9 HG22 THR 10 1HG2 THR 10 6.405 -13.155 0.164
10 HG23 THR 10 2HG2 THR 10 6.178 -13.639 1.844
11 H LYS 11 H LYS 11 9.239 -9.969 -1.233
12 HA LYS 11 HA LYS 11 10.580 -8.187 0.653
13 HB2 LYS 11 2HB LYS 11 10.266 -8.258 -2.342
14 HB3 LYS 11 1HB LYS 11 10.882 -6.822 -1.524
15 HG2 LYS 11 2HG LYS 11 12.630 -8.238 -0.439
16 HG3 LYS 11 1HG LYS 11 12.051 -9.615 -1.378
17 HD2 LYS 11 2HD LYS 11 12.663 -8.584 -3.446
18 HD3 LYS 11 1HD LYS 11 12.936 -7.026 -2.667
19 HE2 LYS 11 2HE LYS 11 15.059 -8.262 -3.174
20 HE3 LYS 11 1HE LYS 11 14.851 -7.907 -1.458
21 HZ1 LYS 11 3HZ LYS 11 15.489 -10.144 -1.570
22 HZ2 LYS 11 1HZ LYS 11 14.434 -10.481 -2.855
23 HZ3 LYS 11 2HZ LYS 11 13.812 -10.185 -1.302
24 H LYS 12 H LYS 12 9.051 -7.216 1.914
25 HA LYS 12 HA LYS 12 6.498 -6.397 1.219
26 HB2 LYS 12 2HB LYS 12 6.888 -4.599 3.035
27 HB3 LYS 12 1HB LYS 12 7.020 -6.291 3.510
28 HG2 LYS 12 2HG LYS 12 9.537 -5.093 2.507
29 HG3 LYS 12 1HG LYS 12 8.943 -4.401 4.015
30 HD2 LYS 12 2HD LYS 12 9.048 -6.461 5.150
31 HD3 LYS 12 1HD LYS 12 9.085 -7.392 3.654
32 HE2 LYS 12 2HE LYS 12 11.298 -5.513 4.521
33 HE3 LYS 12 1HE LYS 12 11.313 -7.253 4.818
34 HZ1 LYS 12 3HZ LYS 12 10.681 -6.871 2.136
35 HZ2 LYS 12 1HZ LYS 12 12.102 -7.533 2.784
36 HZ3 LYS 12 2HZ LYS 12 12.009 -5.865 2.471
37 H TYR 13 H TYR 13 6.084 -3.780 1.518
38 HA TYR 13 HA TYR 13 7.661 -2.455 -0.610
39 HB2 TYR 13 2HB TYR 13 4.680 -2.131 -0.233
40 HB3 TYR 13 1HB TYR 13 5.671 -1.539 -1.568
41 HD1 TYR 13 2HD TYR 13 7.081 -3.412 -2.820
42 HD2 TYR 13 1HD TYR 13 3.530 -4.145 -0.518
43 HE1 TYR 13 2HE TYR 13 6.735 -5.548 -4.033
44 HE2 TYR 13 1HE TYR 13 3.184 -6.281 -1.731
45 HH TYR 13 HH TYR 13 3.971 -7.671 -3.262
46 H ASP 14 H ASP 14 7.168 -0.025 -0.613
47 HA ASP 14 HA ASP 14 6.718 1.012 2.109
48 HB2 ASP 14 2HB ASP 14 9.128 0.817 1.919
49 HB3 ASP 14 1HB ASP 14 9.105 1.633 0.357
50 H LEU 15 H LEU 15 4.991 2.268 1.836
51 HA LEU 15 HA LEU 15 4.674 3.819 -0.636
52 HB2 LEU 15 2HB LEU 15 2.699 3.783 1.632
53 HB3 LEU 15 1HB LEU 15 2.408 4.008 -0.093
54 HG LEU 15 HG LEU 15 3.263 1.432 1.262
55 HD11 LEU 15 1HD1 LEU 15 0.690 2.417 0.021
56 HD12 LEU 15 2HD1 LEU 15 0.938 1.753 1.636
57 HD13 LEU 15 3HD1 LEU 15 1.026 0.697 0.226
58 HD21 LEU 15 3HD2 LEU 15 4.313 1.540 -0.911
59 HD22 LEU 15 1HD2 LEU 15 2.832 2.145 -1.652
60 HD23 LEU 15 2HD2 LEU 15 2.907 0.486 -1.061
61 H SER 16 H SER 16 6.772 4.613 1.103
62 HA SER 16 HA SER 16 6.377 6.528 2.987
63 HB2 SER 16 2HB SER 16 8.346 6.432 0.713
64 HB3 SER 16 1HB SER 16 8.372 7.744 1.887
65 HG SER 16 HG SER 16 9.703 5.850 2.381
66 H LYS 17 H LYS 17 5.793 6.851 -0.468
67 HA LYS 17 HA LYS 17 4.143 9.192 0.015
68 HB2 LYS 17 2HB LYS 17 5.349 10.543 -1.718
69 HB3 LYS 17 1HB LYS 17 6.269 10.297 -0.236
70 HG2 LYS 17 2HG LYS 17 6.835 8.090 -1.970
71 HG3 LYS 17 1HG LYS 17 6.998 9.566 -2.919
72 HD2 LYS 17 2HD LYS 17 8.506 10.508 -1.215
73 HD3 LYS 17 1HD LYS 17 8.333 9.045 -0.245
74 HE2 LYS 17 2HE LYS 17 9.328 8.993 -3.101
75 HE3 LYS 17 1HE LYS 17 10.414 9.153 -1.721
76 HZ1 LYS 17 3HZ LYS 17 8.992 7.094 -0.912
77 HZ2 LYS 17 1HZ LYS 17 10.373 6.911 -1.879
78 HZ3 LYS 17 2HZ LYS 17 8.828 6.863 -2.588
79 H TRP 18 H TRP 18 2.432 9.140 -1.299
80 HA TRP 18 HA TRP 18 2.645 7.867 -3.938
81 HB2 TRP 18 2HB TRP 18 0.978 6.917 -1.645
82 HB3 TRP 18 1HB TRP 18 0.281 6.835 -3.261
83 HD1 TRP 18 HD TRP 18 3.525 5.765 -1.448
84 HE1 TRP 18 1HE TRP 18 4.353 3.569 -2.515
85 HE3 TRP 18 3HE TRP 18 0.053 5.223 -5.153
86 HZ2 TRP 18 2HZ TRP 18 3.635 1.814 -4.655
87 HZ3 TRP 18 3HZ TRP 18 0.147 3.281 -6.689
88 HH2 TRP 18 HH TRP 18 1.931 1.575 -6.446
89 H LYS 19 H LYS 19 0.579 8.220 -5.198
90 HA LYS 19 HA LYS 19 -0.451 10.934 -4.621
91 HB2 LYS 19 2HB LYS 19 -0.225 9.464 -7.259
92 HB3 LYS 19 1HB LYS 19 -0.891 11.083 -7.045
93 HG2 LYS 19 2HG LYS 19 1.272 11.697 -7.535
94 HG3 LYS 19 1HG LYS 19 1.482 11.439 -5.805
95 HD2 LYS 19 2HD LYS 19 2.038 8.996 -6.412
96 HD3 LYS 19 1HD LYS 19 2.191 9.573 -8.071
97 HE2 LYS 19 2HE LYS 19 4.379 9.578 -6.920
98 HE3 LYS 19 1HE LYS 19 3.884 11.212 -7.360
99 HZ1 LYS 19 3HZ LYS 19 3.671 11.809 -5.230
100 HZ2 LYS 19 1HZ LYS 19 4.659 10.470 -4.903
101 HZ3 LYS 19 2HZ LYS 19 2.972 10.332 -4.765
102 H TYR 20 H TYR 20 -2.616 11.306 -4.546
103 HA TYR 20 HA TYR 20 -4.395 9.304 -3.832
104 HB2 TYR 20 2HB TYR 20 -4.804 11.707 -3.454
105 HB3 TYR 20 1HB TYR 20 -5.057 11.931 -5.186
106 HD1 TYR 20 2HD TYR 20 -7.002 10.888 -6.321
107 HD2 TYR 20 1HD TYR 20 -6.475 10.659 -2.064
108 HE1 TYR 20 2HE TYR 20 -9.373 10.205 -6.065
109 HE2 TYR 20 1HE TYR 20 -8.845 9.974 -1.807
110 HH TYR 20 HH TYR 20 -10.762 9.565 -2.840
111 H ALA 21 H ALA 21 -3.460 10.416 -7.010
112 HA ALA 21 HA ALA 21 -5.604 9.081 -8.399
113 HB1 ALA 21 1HB ALA 21 -4.313 9.649 -10.428
114 HB2 ALA 21 2HB ALA 21 -2.978 10.198 -9.415
115 HB3 ALA 21 3HB ALA 21 -4.522 11.049 -9.377
116 H GLU 22 H GLU 22 -2.281 8.342 -7.507
117 HA GLU 22 HA GLU 22 -2.108 5.952 -9.092
118 HB2 GLU 22 2HB GLU 22 -0.448 7.069 -6.831
119 HB3 GLU 22 1HB GLU 22 -0.089 5.522 -7.600
120 HG2 GLU 22 2HG GLU 22 -0.412 8.096 -9.159
121 HG3 GLU 22 1HG GLU 22 1.147 7.524 -8.564
122 H LEU 23 H LEU 23 -2.869 6.698 -5.719
123 HA LEU 23 HA LEU 23 -2.969 4.032 -4.776
124 HB2 LEU 23 2HB LEU 23 -4.461 6.478 -3.799
125 HB3 LEU 23 1HB LEU 23 -4.274 4.971 -2.904
126 HG LEU 23 HG LEU 23 -1.916 6.577 -3.907
127 HD11 LEU 23 1HD1 LEU 23 -1.770 7.272 -1.437
128 HD12 LEU 23 2HD1 LEU 23 -3.455 6.766 -1.314
129 HD13 LEU 23 3HD1 LEU 23 -3.002 8.070 -2.412
130 HD21 LEU 23 3HD2 LEU 23 -0.883 5.288 -1.900
131 HD22 LEU 23 1HD2 LEU 23 -1.214 4.381 -3.373
132 HD23 LEU 23 2HD2 LEU 23 -2.316 4.267 -2.001
133 H ARG 24 H ARG 24 -5.513 6.202 -5.993
134 HA ARG 24 HA ARG 24 -7.610 4.284 -5.724
135 HB2 ARG 24 2HB ARG 24 -7.828 6.831 -5.901
136 HB3 ARG 24 1HB ARG 24 -7.603 6.617 -7.636
137 HG2 ARG 24 2HG ARG 24 -9.915 6.481 -7.518
138 HG3 ARG 24 1HG ARG 24 -9.502 4.780 -7.315
139 HD2 ARG 24 2HD ARG 24 -9.457 5.279 -4.787
140 HD3 ARG 24 1HD ARG 24 -10.278 6.783 -5.193
141 HE ARG 24 HE ARG 24 -11.811 4.928 -6.436
142 HH11 ARG 24 1HH2 ARG 24 -10.491 5.197 -3.248
143 HH12 ARG 24 2HH2 ARG 24 -11.791 4.339 -2.487
144 HH21 ARG 24 1HH1 ARG 24 -13.519 3.803 -5.447
145 HH22 ARG 24 2HH1 ARG 24 -13.505 3.550 -3.734
146 H ASP 25 H ASP 25 -5.330 5.096 -8.265
147 HA ASP 25 HA ASP 25 -6.663 3.608 -10.324
148 HB2 ASP 25 2HB ASP 25 -3.914 4.811 -10.045
149 HB3 ASP 25 1HB ASP 25 -4.369 3.849 -11.448
150 H THR 26 H THR 26 -3.845 3.003 -8.232
151 HA THR 26 HA THR 26 -3.060 0.537 -9.233
152 HB THR 26 HB THR 26 -3.041 1.502 -6.364
153 HG1 THR 26 1HG THR 26 -1.571 2.745 -7.164
154 HG21 THR 26 3HG2 THR 26 -1.694 -0.826 -7.744
155 HG22 THR 26 1HG2 THR 26 -2.732 -0.868 -6.319
156 HG23 THR 26 2HG2 THR 26 -1.119 -0.164 -6.214
157 H ILE 27 H ILE 27 -5.610 1.293 -6.896
158 HA ILE 27 HA ILE 27 -6.255 -1.451 -6.355
159 HB ILE 27 HB ILE 27 -7.809 1.104 -5.874
160 HG12 ILE 27 2HG1 ILE 27 -6.285 -0.642 -3.921
161 HG13 ILE 27 1HG1 ILE 27 -5.574 0.771 -4.702
162 HG21 ILE 27 1HG2 ILE 27 -8.979 -0.433 -4.170
163 HG22 ILE 27 2HG2 ILE 27 -8.298 -1.775 -5.091
164 HG23 ILE 27 3HG2 ILE 27 -9.413 -0.650 -5.867
165 HD11 ILE 27 3HD1 ILE 27 -8.192 0.960 -3.212
166 HD12 ILE 27 1HD1 ILE 27 -7.079 2.259 -3.644
167 HD13 ILE 27 2HD1 ILE 27 -6.648 1.114 -2.374
168 H ASN 28 H ASN 28 -7.374 1.000 -8.618
169 HA ASN 28 HA ASN 28 -9.521 -0.737 -9.594
170 HB2 ASN 28 2HB ASN 28 -8.677 2.082 -10.280
171 HB3 ASN 28 1HB ASN 28 -9.963 1.225 -11.126
172 HD21 ASN 28 1HD2 ASN 28 -9.038 1.646 -7.651
173 HD22 ASN 28 2HD2 ASN 28 -10.608 2.048 -7.143
174 H THR 29 H THR 29 -6.646 -1.432 -9.930
175 HA THR 29 HA THR 29 -6.782 -2.058 -12.768
176 HB THR 29 HB THR 29 -4.454 -1.197 -13.163
177 HG1 THR 29 1HG THR 29 -3.894 0.523 -11.632
178 HG21 THR 29 3HG2 THR 29 -6.345 1.014 -12.354
179 HG22 THR 29 1HG2 THR 29 -6.621 0.017 -13.780
180 HG23 THR 29 2HG2 THR 29 -5.172 1.016 -13.669
181 H SER 30 H SER 30 -4.523 -2.041 -9.997
182 HA SER 30 HA SER 30 -3.482 -4.645 -10.751
183 HB2 SER 30 2HB SER 30 -2.223 -2.640 -9.621
184 HB3 SER 30 1HB SER 30 -2.890 -3.304 -8.131
185 HG SER 30 HG SER 30 -1.768 -5.125 -9.892
186 H CYS 31 H CYS 31 -3.175 -6.175 -8.716
187 HA CYS 31 HA CYS 31 -5.470 -6.280 -6.954
188 HB2 CYS 31 2HB CYS 31 -6.519 -7.260 -8.877
189 HB3 CYS 31 1HB CYS 31 -5.122 -8.290 -9.185
190 HG CYS 31 HG CYS 31 -6.275 -8.804 -6.421
191 H ASP 32 H ASP 32 -4.748 -7.014 -5.073
192 HA ASP 32 HA ASP 32 -3.203 -9.369 -4.764
193 HB2 ASP 32 2HB ASP 32 -1.545 -7.483 -5.623
194 HB3 ASP 32 1HB ASP 32 -1.589 -6.990 -3.933
195 H ILE 33 H ILE 33 -2.863 -9.909 -2.550
196 HA ILE 33 HA ILE 33 -4.784 -8.663 -0.776
197 HB ILE 33 HB ILE 33 -2.820 -10.910 -0.263
198 HG12 ILE 33 2HG1 ILE 33 -4.685 -11.118 -2.114
199 HG13 ILE 33 1HG1 ILE 33 -4.460 -12.425 -0.955
200 HG21 ILE 33 1HG2 ILE 33 -5.111 -9.728 1.297
201 HG22 ILE 33 2HG2 ILE 33 -3.490 -10.146 1.854
202 HG23 ILE 33 3HG2 ILE 33 -4.659 -11.420 1.511
203 HD11 ILE 33 3HD1 ILE 33 -6.395 -10.192 -0.366
204 HD12 ILE 33 1HD1 ILE 33 -6.368 -11.831 0.280
205 HD13 ILE 33 2HD1 ILE 33 -6.876 -11.548 -1.385
206 H GLU 34 H GLU 34 -1.651 -7.979 -1.620
207 HA GLU 34 HA GLU 34 -0.938 -6.948 1.057
208 HB2 GLU 34 2HB GLU 34 0.835 -7.247 -1.377
209 HB3 GLU 34 1HB GLU 34 1.343 -6.860 0.266
210 HG2 GLU 34 2HG GLU 34 0.522 -9.046 1.047
211 HG3 GLU 34 1HG GLU 34 -0.009 -9.436 -0.589
212 H LEU 35 H LEU 35 -0.563 -5.970 -2.366
213 HA LEU 35 HA LEU 35 -0.059 -3.271 -1.912
214 HB2 LEU 35 2HB LEU 35 -1.347 -4.716 -4.223
215 HB3 LEU 35 1HB LEU 35 -1.095 -2.974 -4.250
216 HG LEU 35 HG LEU 35 1.101 -5.006 -3.749
217 HD11 LEU 35 1HD1 LEU 35 0.044 -5.038 -6.070
218 HD12 LEU 35 2HD1 LEU 35 1.774 -4.702 -6.026
219 HD13 LEU 35 3HD1 LEU 35 0.626 -3.382 -6.260
220 HD21 LEU 35 3HD2 LEU 35 0.944 -2.021 -3.828
221 HD22 LEU 35 1HD2 LEU 35 2.361 -2.765 -4.570
222 HD23 LEU 35 2HD2 LEU 35 1.995 -3.066 -2.873
223 H LEU 36 H LEU 36 -3.200 -4.842 -2.546
224 HA LEU 36 HA LEU 36 -4.798 -2.557 -2.393
225 HB2 LEU 36 2HB LEU 36 -5.465 -5.389 -1.552
226 HB3 LEU 36 1HB LEU 36 -6.643 -4.108 -1.835
227 HG LEU 36 HG LEU 36 -4.682 -5.159 -3.898
228 HD11 LEU 36 1HD1 LEU 36 -6.533 -6.302 -4.889
229 HD12 LEU 36 2HD1 LEU 36 -7.690 -5.490 -3.836
230 HD13 LEU 36 3HD1 LEU 36 -6.589 -6.698 -3.172
231 HD21 LEU 36 3HD2 LEU 36 -5.115 -2.990 -4.613
232 HD22 LEU 36 1HD2 LEU 36 -6.704 -2.941 -3.848
233 HD23 LEU 36 2HD2 LEU 36 -6.474 -3.836 -5.351
234 H ALA 37 H ALA 37 -3.859 -4.824 0.188
235 HA ALA 37 HA ALA 37 -5.216 -3.447 2.265
236 HB1 ALA 37 1HB ALA 37 -4.557 -5.749 2.586
237 HB2 ALA 37 2HB ALA 37 -3.700 -4.762 3.769
238 HB3 ALA 37 3HB ALA 37 -2.860 -5.344 2.333
239 H ALA 38 H ALA 38 -2.051 -3.120 0.805
240 HA ALA 38 HA ALA 38 -0.995 -1.361 2.820
241 HB1 ALA 38 1HB ALA 38 0.930 -1.256 1.501
242 HB2 ALA 38 2HB ALA 38 0.035 -1.492 -0.001
243 HB3 ALA 38 3HB ALA 38 0.282 -2.847 1.102
244 H CYS 39 H CYS 39 -2.575 -0.972 -0.313
245 HA CYS 39 HA CYS 39 -2.203 1.860 -0.463
246 HB2 CYS 39 2HB CYS 39 -2.599 0.584 -2.487
247 HB3 CYS 39 1HB CYS 39 -4.150 0.017 -1.868
248 HG CYS 39 HG CYS 39 -5.101 2.060 -2.888
249 H ARG 40 H ARG 40 -4.969 -0.208 0.418
250 HA ARG 40 HA ARG 40 -6.877 1.721 0.925
251 HB2 ARG 40 2HB ARG 40 -6.317 -0.904 2.306
252 HB3 ARG 40 1HB ARG 40 -7.719 0.090 2.701
253 HG2 ARG 40 2HG ARG 40 -8.622 -0.116 0.516
254 HG3 ARG 40 1HG ARG 40 -7.100 -0.718 -0.143
255 HD2 ARG 40 2HD ARG 40 -8.956 -2.451 0.306
256 HD3 ARG 40 1HD ARG 40 -7.342 -2.820 0.906
257 HE ARG 40 HE ARG 40 -9.098 -1.462 2.793
258 HH11 ARG 40 1HH2 ARG 40 -7.841 -4.433 1.541
259 HH12 ARG 40 2HH2 ARG 40 -8.196 -5.346 2.970
260 HH21 ARG 40 1HH1 ARG 40 -9.564 -2.651 4.671
261 HH22 ARG 40 2HH1 ARG 40 -9.171 -4.336 4.741
262 H GLU 41 H GLU 41 -4.085 0.833 2.842
263 HA GLU 41 HA GLU 41 -4.841 2.134 5.250
264 HB2 GLU 41 2HB GLU 41 -2.194 1.294 4.078
265 HB3 GLU 41 1HB GLU 41 -2.288 2.155 5.615
266 HG2 GLU 41 2HG GLU 41 -3.878 -0.354 5.048
267 HG3 GLU 41 1HG GLU 41 -2.275 -0.388 5.779
268 H GLU 42 H GLU 42 -3.130 3.207 2.350
269 HA GLU 42 HA GLU 42 -2.489 5.803 3.399
270 HB2 GLU 42 2HB GLU 42 -2.413 4.557 0.657
271 HB3 GLU 42 1HB GLU 42 -2.103 6.277 0.885
272 HG2 GLU 42 2HG GLU 42 -0.651 4.180 2.497
273 HG3 GLU 42 1HG GLU 42 -0.062 4.711 0.924
274 H PHE 43 H PHE 43 -4.974 4.511 1.214
275 HA PHE 43 HA PHE 43 -6.237 6.826 0.421
276 HB2 PHE 43 2HB PHE 43 -6.806 4.446 -0.242
277 HB3 PHE 43 1HB PHE 43 -7.719 4.333 1.263
278 HD1 PHE 43 2HD PHE 43 -7.433 6.196 -1.943
279 HD2 PHE 43 1HD PHE 43 -9.865 5.354 1.496
280 HE1 PHE 43 2HE PHE 43 -9.353 7.337 -3.021
281 HE2 PHE 43 1HE PHE 43 -11.784 6.495 0.418
282 HZ PHE 43 HZ PHE 43 -11.528 7.487 -1.841
283 H HIS 44 H HIS 44 -6.492 5.139 3.509
284 HA HIS 44 HA HIS 44 -8.658 6.644 4.553
285 HB2 HIS 44 2HB HIS 44 -6.422 5.200 5.998
286 HB3 HIS 44 1HB HIS 44 -7.913 5.782 6.743
287 HD2 HIS 44 2HD HIS 44 -8.803 4.381 3.338
288 HE1 HIS 44 1HE HIS 44 -9.271 1.157 6.022
289 HE2 HIS 44 2HE HIS 44 -9.748 1.970 3.664
290 H ARG 45 H ARG 45 -5.178 7.156 4.485
291 HA ARG 45 HA ARG 45 -5.095 9.272 6.378
292 HB2 ARG 45 2HB ARG 45 -3.227 8.677 4.069
293 HB3 ARG 45 1HB ARG 45 -2.880 9.752 5.423
294 HG2 ARG 45 2HG ARG 45 -3.308 7.778 6.962
295 HG3 ARG 45 1HG ARG 45 -3.339 6.761 5.522
296 HD2 ARG 45 2HD ARG 45 -1.091 6.610 5.717
297 HD3 ARG 45 1HD ARG 45 -1.018 8.299 5.225
298 HE ARG 45 HE ARG 45 -1.485 7.868 8.063
299 HH11 ARG 45 1HH2 ARG 45 0.786 8.326 5.492
300 HH12 ARG 45 2HH2 ARG 45 2.051 8.899 6.527
301 HH21 ARG 45 1HH1 ARG 45 0.170 8.620 9.427
302 HH22 ARG 45 2HH1 ARG 45 1.703 9.065 8.754
303 H ARG 46 H ARG 46 -5.705 9.143 2.915
304 HA ARG 46 HA ARG 46 -5.466 11.924 2.404
305 HB2 ARG 46 2HB ARG 46 -7.309 10.088 0.888
306 HB3 ARG 46 1HB ARG 46 -6.385 11.465 0.287
307 HG2 ARG 46 2HG ARG 46 -5.281 8.797 1.204
308 HG3 ARG 46 1HG ARG 46 -5.267 9.441 -0.436
309 HD2 ARG 46 2HD ARG 46 -3.912 11.394 0.482
310 HD3 ARG 46 1HD ARG 46 -3.736 10.460 1.965
311 HE ARG 46 HE ARG 46 -2.856 8.681 0.191
312 HH11 ARG 46 1HH2 ARG 46 -2.299 12.093 0.431
313 HH12 ARG 46 2HH2 ARG 46 -0.724 12.022 -0.284
314 HH21 ARG 46 1HH1 ARG 46 -0.789 8.588 -0.743
315 HH22 ARG 46 2HH1 ARG 46 0.131 10.041 -0.949
316 H LEU 47 H LEU 47 -8.228 9.865 3.271
317 HA LEU 47 HA LEU 47 -10.287 11.711 3.008
318 HB2 LEU 47 2HB LEU 47 -9.828 9.285 4.668
319 HB3 LEU 47 1HB LEU 47 -11.128 10.355 5.187
320 HG LEU 47 HG LEU 47 -12.055 10.274 2.859
321 HD11 LEU 47 1HD1 LEU 47 -9.876 9.656 1.777
322 HD12 LEU 47 2HD1 LEU 47 -11.213 8.608 1.303
323 HD13 LEU 47 3HD1 LEU 47 -10.030 8.049 2.485
324 HD21 LEU 47 3HD2 LEU 47 -11.682 7.635 4.308
325 HD22 LEU 47 1HD2 LEU 47 -12.882 7.919 3.048
326 HD23 LEU 47 2HD2 LEU 47 -12.977 8.802 4.570
327 H LYS 48 H LYS 48 -8.417 11.003 5.962
328 HA LYS 48 HA LYS 48 -9.288 13.587 7.084
329 HB2 LYS 48 2HB LYS 48 -7.778 11.408 8.528
330 HB3 LYS 48 1HB LYS 48 -8.726 12.723 9.223
331 HG2 LYS 48 2HG LYS 48 -9.849 10.456 7.547
332 HG3 LYS 48 1HG LYS 48 -9.961 10.577 9.303
333 HD2 LYS 48 2HD LYS 48 -11.063 12.876 8.889
334 HD3 LYS 48 1HD LYS 48 -11.256 12.338 7.220
335 HE2 LYS 48 2HE LYS 48 -13.278 11.806 8.492
336 HE3 LYS 48 1HE LYS 48 -12.452 10.315 8.037
337 HZ1 LYS 48 3HZ LYS 48 -11.497 11.328 10.520
338 HZ2 LYS 48 1HZ LYS 48 -12.134 9.799 10.157
339 HZ3 LYS 48 2HZ LYS 48 -13.177 11.076 10.568
340 H VAL 49 H VAL 49 -7.956 15.220 6.620
341 HA VAL 49 HA VAL 49 -5.144 15.009 7.287
342 HB VAL 49 HB VAL 49 -5.189 14.197 4.956
343 HG11 VAL 49 1HG1 VAL 49 -5.975 15.616 3.162
344 HG12 VAL 49 2HG1 VAL 49 -6.288 16.940 4.283
345 HG13 VAL 49 3HG1 VAL 49 -7.274 15.479 4.347
346 HG21 VAL 49 3HG2 VAL 49 -3.397 15.531 4.219
347 HG22 VAL 49 1HG2 VAL 49 -3.382 15.801 5.961
348 HG23 VAL 49 2HG2 VAL 49 -4.094 17.006 4.889
349 H TYR 50 H TYR 50 -7.991 16.639 7.140
350 HA TYR 50 HA TYR 50 -8.642 18.793 7.595
351 HB2 TYR 50 2HB TYR 50 -7.150 18.433 9.548
352 HB3 TYR 50 1HB TYR 50 -5.805 19.082 8.609
353 HD1 TYR 50 2HD TYR 50 -9.049 19.884 10.195
354 HD2 TYR 50 1HD TYR 50 -5.624 21.444 8.123
355 HE1 TYR 50 2HE TYR 50 -9.733 22.190 10.800
356 HE2 TYR 50 1HE TYR 50 -6.309 23.749 8.728
357 HH TYR 50 HH TYR 50 -9.396 24.406 10.265
358 H HIS 51 H HIS 51 -8.994 20.330 6.141
359 HA HIS 51 HA HIS 51 -6.839 21.784 4.895
360 HB2 HIS 51 2HB HIS 51 -6.811 19.861 3.426
361 HB3 HIS 51 1HB HIS 51 -8.560 19.936 3.227
362 HD2 HIS 51 2HD HIS 51 -9.405 22.484 1.909
363 HE1 HIS 51 1HE HIS 51 -5.693 22.896 -0.060
364 HE2 HIS 51 2HE HIS 51 -8.097 23.713 0.012
Start of MODEL 4
1 H1 GLY 9 H GLY 9 9.669 -15.116 1.096
2 HA2 GLY 9 2HA GLY 9 8.708 -13.783 -0.553
3 HA3 GLY 9 1HA GLY 9 7.140 -14.485 -0.170
4 H THR 10 H THR 10 7.803 -13.835 2.765
5 HA THR 10 HA THR 10 6.226 -11.612 3.115
6 HB THR 10 HB THR 10 8.553 -11.974 4.959
7 HG1 THR 10 1HG THR 10 7.365 -14.025 4.004
8 HG21 THR 10 3HG2 THR 10 6.673 -10.385 5.406
9 HG22 THR 10 1HG2 THR 10 6.835 -11.634 6.642
10 HG23 THR 10 2HG2 THR 10 5.567 -11.759 5.422
11 H LYS 11 H LYS 11 6.601 -9.928 1.732
12 HA LYS 11 HA LYS 11 8.833 -8.184 2.416
13 HB2 LYS 11 2HB LYS 11 9.672 -9.664 0.572
14 HB3 LYS 11 1HB LYS 11 8.390 -9.021 -0.457
15 HG2 LYS 11 2HG LYS 11 9.264 -6.729 -0.093
16 HG3 LYS 11 1HG LYS 11 10.570 -7.394 0.889
17 HD2 LYS 11 2HD LYS 11 10.147 -8.452 -1.893
18 HD3 LYS 11 1HD LYS 11 10.966 -6.908 -1.678
19 HE2 LYS 11 2HE LYS 11 12.614 -7.959 -0.194
20 HE3 LYS 11 1HE LYS 11 11.781 -9.507 -0.342
21 HZ1 LYS 11 3HZ LYS 11 12.258 -8.523 -2.913
22 HZ2 LYS 11 1HZ LYS 11 12.919 -9.901 -2.179
23 HZ3 LYS 11 2HZ LYS 11 13.714 -8.406 -2.043
24 H LYS 12 H LYS 12 7.552 -6.529 3.050
25 HA LYS 12 HA LYS 12 5.158 -5.789 1.633
26 HB2 LYS 12 2HB LYS 12 6.700 -4.582 3.926
27 HB3 LYS 12 1HB LYS 12 5.310 -3.766 3.211
28 HG2 LYS 12 2HG LYS 12 4.588 -5.111 5.127
29 HG3 LYS 12 1HG LYS 12 3.929 -5.785 3.636
30 HD2 LYS 12 2HD LYS 12 5.452 -7.585 3.629
31 HD3 LYS 12 1HD LYS 12 6.549 -6.779 4.752
32 HE2 LYS 12 2HE LYS 12 3.742 -7.595 5.526
33 HE3 LYS 12 1HE LYS 12 5.133 -8.655 5.745
34 HZ1 LYS 12 3HZ LYS 12 6.039 -6.384 6.808
35 HZ2 LYS 12 1HZ LYS 12 5.279 -7.606 7.705
36 HZ3 LYS 12 2HZ LYS 12 4.388 -6.255 7.187
37 H TYR 13 H TYR 13 5.177 -3.077 1.522
38 HA TYR 13 HA TYR 13 7.412 -2.378 -0.287
39 HB2 TYR 13 2HB TYR 13 4.557 -1.549 -0.801
40 HB3 TYR 13 1HB TYR 13 5.936 -1.467 -1.898
41 HD1 TYR 13 2HD TYR 13 6.894 -3.542 -2.875
42 HD2 TYR 13 1HD TYR 13 3.328 -3.599 -0.481
43 HE1 TYR 13 2HE TYR 13 6.367 -5.814 -3.717
44 HE2 TYR 13 1HE TYR 13 2.802 -5.873 -1.322
45 HH TYR 13 HH TYR 13 3.357 -7.465 -2.783
46 H ASP 14 H ASP 14 7.859 -0.122 -0.445
47 HA ASP 14 HA ASP 14 7.134 1.341 1.997
48 HB2 ASP 14 2HB ASP 14 9.511 1.175 1.504
49 HB3 ASP 14 1HB ASP 14 9.253 1.859 -0.098
50 H LEU 15 H LEU 15 5.345 2.528 1.822
51 HA LEU 15 HA LEU 15 4.813 3.962 -0.708
52 HB2 LEU 15 2HB LEU 15 2.817 3.658 1.521
53 HB3 LEU 15 1HB LEU 15 2.529 3.903 -0.201
54 HG LEU 15 HG LEU 15 3.675 1.386 1.048
55 HD11 LEU 15 1HD1 LEU 15 1.464 0.454 0.135
56 HD12 LEU 15 2HD1 LEU 15 0.941 2.133 -0.003
57 HD13 LEU 15 3HD1 LEU 15 1.356 1.464 1.576
58 HD21 LEU 15 3HD2 LEU 15 3.307 0.474 -1.266
59 HD22 LEU 15 1HD2 LEU 15 4.554 1.719 -1.197
60 HD23 LEU 15 2HD2 LEU 15 2.946 2.113 -1.805
61 H SER 16 H SER 16 6.768 4.878 1.192
62 HA SER 16 HA SER 16 6.128 6.698 3.083
63 HB2 SER 16 2HB SER 16 8.157 7.789 2.646
64 HB3 SER 16 1HB SER 16 8.422 6.171 2.002
65 HG SER 16 HG SER 16 7.906 6.979 -0.054
66 H LYS 17 H LYS 17 5.858 7.209 -0.415
67 HA LYS 17 HA LYS 17 3.925 9.357 0.082
68 HB2 LYS 17 2HB LYS 17 6.493 9.671 -1.474
69 HB3 LYS 17 1HB LYS 17 5.102 10.719 -1.743
70 HG2 LYS 17 2HG LYS 17 6.400 10.295 0.967
71 HG3 LYS 17 1HG LYS 17 6.777 11.642 -0.103
72 HD2 LYS 17 2HD LYS 17 4.117 11.934 -0.078
73 HD3 LYS 17 1HD LYS 17 4.286 11.111 1.471
74 HE2 LYS 17 2HE LYS 17 5.760 13.627 0.642
75 HE3 LYS 17 1HE LYS 17 4.406 13.550 1.770
76 HZ1 LYS 17 3HZ LYS 17 5.827 13.089 3.383
77 HZ2 LYS 17 1HZ LYS 17 7.126 13.152 2.296
78 HZ3 LYS 17 2HZ LYS 17 6.323 11.680 2.572
79 H TRP 18 H TRP 18 2.238 9.196 -1.247
80 HA TRP 18 HA TRP 18 2.562 7.927 -3.881
81 HB2 TRP 18 2HB TRP 18 0.920 6.916 -1.602
82 HB3 TRP 18 1HB TRP 18 0.220 6.816 -3.215
83 HD1 TRP 18 HD TRP 18 3.561 5.895 -1.477
84 HE1 TRP 18 1HE TRP 18 4.433 3.713 -2.533
85 HE3 TRP 18 3HE TRP 18 -0.033 5.132 -5.025
86 HZ2 TRP 18 2HZ TRP 18 3.704 1.883 -4.606
87 HZ3 TRP 18 3HZ TRP 18 0.079 3.162 -6.525
88 HH2 TRP 18 HH TRP 18 1.941 1.536 -6.318
89 H LYS 19 H LYS 19 0.504 8.191 -5.187
90 HA LYS 19 HA LYS 19 -0.617 10.877 -4.661
91 HB2 LYS 19 2HB LYS 19 -0.656 9.422 -7.302
92 HB3 LYS 19 1HB LYS 19 -0.869 11.146 -6.999
93 HG2 LYS 19 2HG LYS 19 1.686 9.572 -6.562
94 HG3 LYS 19 1HG LYS 19 1.385 10.712 -7.873
95 HD2 LYS 19 2HD LYS 19 0.896 12.437 -6.016
96 HD3 LYS 19 1HD LYS 19 1.668 11.286 -4.923
97 HE2 LYS 19 2HE LYS 19 2.880 12.726 -7.282
98 HE3 LYS 19 1HE LYS 19 3.430 12.713 -5.607
99 HZ1 LYS 19 3HZ LYS 19 4.245 10.572 -5.803
100 HZ2 LYS 19 1HZ LYS 19 4.645 11.252 -7.303
101 HZ3 LYS 19 2HZ LYS 19 3.305 10.217 -7.174
102 H TYR 20 H TYR 20 -2.800 11.209 -4.643
103 HA TYR 20 HA TYR 20 -4.527 9.202 -3.822
104 HB2 TYR 20 2HB TYR 20 -5.050 11.569 -3.539
105 HB3 TYR 20 1HB TYR 20 -5.195 11.766 -5.285
106 HD1 TYR 20 2HD TYR 20 -6.722 10.276 -2.271
107 HD2 TYR 20 1HD TYR 20 -7.120 10.921 -6.500
108 HE1 TYR 20 2HE TYR 20 -9.094 9.561 -2.157
109 HE2 TYR 20 1HE TYR 20 -9.493 10.206 -6.386
110 HH TYR 20 HH TYR 20 -10.887 8.939 -3.391
111 H ALA 21 H ALA 21 -3.650 10.211 -7.059
112 HA ALA 21 HA ALA 21 -5.726 8.724 -8.383
113 HB1 ALA 21 1HB ALA 21 -4.401 9.207 -10.432
114 HB2 ALA 21 2HB ALA 21 -3.139 9.908 -9.418
115 HB3 ALA 21 3HB ALA 21 -4.736 10.656 -9.483
116 H GLU 22 H GLU 22 -2.275 8.214 -7.722
117 HA GLU 22 HA GLU 22 -2.007 5.766 -9.099
118 HB2 GLU 22 2HB GLU 22 -0.511 6.959 -6.763
119 HB3 GLU 22 1HB GLU 22 -0.058 5.422 -7.497
120 HG2 GLU 22 2HG GLU 22 -0.394 7.956 -9.112
121 HG3 GLU 22 1HG GLU 22 1.148 7.483 -8.402
122 H LEU 23 H LEU 23 -2.793 6.485 -5.708
123 HA LEU 23 HA LEU 23 -2.946 3.818 -4.809
124 HB2 LEU 23 2HB LEU 23 -4.470 6.237 -3.813
125 HB3 LEU 23 1HB LEU 23 -4.235 4.732 -2.929
126 HG LEU 23 HG LEU 23 -1.901 6.356 -3.949
127 HD11 LEU 23 1HD1 LEU 23 -3.047 7.897 -2.534
128 HD12 LEU 23 2HD1 LEU 23 -1.783 7.184 -1.532
129 HD13 LEU 23 3HD1 LEU 23 -3.452 6.638 -1.370
130 HD21 LEU 23 3HD2 LEU 23 -2.296 4.183 -1.878
131 HD22 LEU 23 1HD2 LEU 23 -0.838 5.171 -1.935
132 HD23 LEU 23 2HD2 LEU 23 -1.261 4.144 -3.305
133 H ARG 24 H ARG 24 -5.421 6.010 -6.105
134 HA ARG 24 HA ARG 24 -7.570 4.149 -5.855
135 HB2 ARG 24 2HB ARG 24 -7.756 6.678 -6.079
136 HB3 ARG 24 1HB ARG 24 -7.420 6.458 -7.796
137 HG2 ARG 24 2HG ARG 24 -9.732 6.350 -7.845
138 HG3 ARG 24 1HG ARG 24 -9.366 4.645 -7.590
139 HD2 ARG 24 2HD ARG 24 -9.583 5.022 -5.122
140 HD3 ARG 24 1HD ARG 24 -10.084 6.675 -5.457
141 HE ARG 24 HE ARG 24 -11.722 4.346 -5.662
142 HH11 ARG 24 1HH2 ARG 24 -11.016 7.407 -7.115
143 HH12 ARG 24 2HH2 ARG 24 -12.609 7.621 -7.764
144 HH21 ARG 24 1HH1 ARG 24 -13.810 4.619 -6.510
145 HH22 ARG 24 2HH1 ARG 24 -14.190 6.043 -7.421
146 H ASP 25 H ASP 25 -5.359 5.029 -8.475
147 HA ASP 25 HA ASP 25 -6.606 3.449 -10.481
148 HB2 ASP 25 2HB ASP 25 -3.860 4.650 -10.173
149 HB3 ASP 25 1HB ASP 25 -4.280 3.650 -11.561
150 H THR 26 H THR 26 -3.801 2.872 -8.359
151 HA THR 26 HA THR 26 -3.050 0.366 -9.287
152 HB THR 26 HB THR 26 -3.010 1.409 -6.445
153 HG1 THR 26 1HG THR 26 -1.871 2.541 -8.211
154 HG21 THR 26 3HG2 THR 26 -2.701 -0.952 -6.327
155 HG22 THR 26 1HG2 THR 26 -1.079 -0.261 -6.286
156 HG23 THR 26 2HG2 THR 26 -1.701 -0.966 -7.778
157 H ILE 27 H ILE 27 -5.562 1.228 -6.944
158 HA ILE 27 HA ILE 27 -6.261 -1.500 -6.364
159 HB ILE 27 HB ILE 27 -7.731 1.094 -5.843
160 HG12 ILE 27 2HG1 ILE 27 -6.186 -0.668 -3.927
161 HG13 ILE 27 1HG1 ILE 27 -5.459 0.711 -4.752
162 HG21 ILE 27 1HG2 ILE 27 -8.278 -1.773 -5.086
163 HG22 ILE 27 2HG2 ILE 27 -9.395 -0.570 -5.728
164 HG23 ILE 27 3HG2 ILE 27 -8.833 -0.449 -4.061
165 HD11 ILE 27 3HD1 ILE 27 -7.999 0.960 -3.132
166 HD12 ILE 27 1HD1 ILE 27 -6.939 2.252 -3.695
167 HD13 ILE 27 2HD1 ILE 27 -6.403 1.167 -2.413
168 H ASN 28 H ASN 28 -7.212 0.891 -8.712
169 HA ASN 28 HA ASN 28 -9.513 -0.715 -9.579
170 HB2 ASN 28 2HB ASN 28 -8.513 2.039 -10.307
171 HB3 ASN 28 1HB ASN 28 -9.811 1.238 -11.190
172 HD21 ASN 28 1HD2 ASN 28 -8.954 1.771 -7.713
173 HD22 ASN 28 2HD2 ASN 28 -10.531 2.197 -7.250
174 H THR 29 H THR 29 -6.370 -1.031 -10.010
175 HA THR 29 HA THR 29 -6.672 -1.956 -12.795
176 HB THR 29 HB THR 29 -4.379 -1.123 -13.290
177 HG1 THR 29 1HG THR 29 -4.275 -0.812 -10.730
178 HG21 THR 29 3HG2 THR 29 -5.025 1.281 -13.446
179 HG22 THR 29 1HG2 THR 29 -6.414 0.943 -12.413
180 HG23 THR 29 2HG2 THR 29 -6.296 0.194 -14.006
181 H SER 30 H SER 30 -4.493 -1.923 -9.968
182 HA SER 30 HA SER 30 -3.453 -4.553 -10.685
183 HB2 SER 30 2HB SER 30 -2.170 -2.514 -9.608
184 HB3 SER 30 1HB SER 30 -2.804 -3.173 -8.103
185 HG SER 30 HG SER 30 -1.875 -5.187 -8.724
186 H CYS 31 H CYS 31 -3.196 -6.091 -8.703
187 HA CYS 31 HA CYS 31 -5.409 -6.074 -6.839
188 HB2 CYS 31 2HB CYS 31 -6.518 -6.972 -8.830
189 HB3 CYS 31 1HB CYS 31 -5.259 -8.196 -8.993
190 HG CYS 31 HG CYS 31 -6.108 -9.358 -6.859
191 H ASP 32 H ASP 32 -4.646 -6.856 -4.997
192 HA ASP 32 HA ASP 32 -3.224 -9.291 -4.757
193 HB2 ASP 32 2HB ASP 32 -1.498 -7.523 -5.706
194 HB3 ASP 32 1HB ASP 32 -1.442 -6.996 -4.026
195 H ILE 33 H ILE 33 -3.208 -9.985 -2.659
196 HA ILE 33 HA ILE 33 -4.854 -8.642 -0.783
197 HB ILE 33 HB ILE 33 -2.849 -10.807 -0.141
198 HG12 ILE 33 2HG1 ILE 33 -4.050 -11.576 -2.092
199 HG13 ILE 33 1HG1 ILE 33 -4.756 -12.377 -0.689
200 HG21 ILE 33 1HG2 ILE 33 -4.697 -11.444 1.463
201 HG22 ILE 33 2HG2 ILE 33 -5.510 -9.943 1.020
202 HG23 ILE 33 3HG2 ILE 33 -3.933 -9.892 1.807
203 HD11 ILE 33 3HD1 ILE 33 -5.877 -10.090 -2.304
204 HD12 ILE 33 1HD1 ILE 33 -6.435 -10.399 -0.659
205 HD13 ILE 33 2HD1 ILE 33 -6.635 -11.630 -1.906
206 H GLU 34 H GLU 34 -1.669 -8.112 -1.694
207 HA GLU 34 HA GLU 34 -0.884 -7.006 0.922
208 HB2 GLU 34 2HB GLU 34 0.838 -7.217 -1.547
209 HB3 GLU 34 1HB GLU 34 1.354 -7.029 0.129
210 HG2 GLU 34 2HG GLU 34 0.004 -9.455 -1.088
211 HG3 GLU 34 1HG GLU 34 1.671 -9.348 -0.522
212 H LEU 35 H LEU 35 -0.564 -6.035 -2.508
213 HA LEU 35 HA LEU 35 -0.078 -3.331 -2.047
214 HB2 LEU 35 2HB LEU 35 -1.412 -4.713 -4.381
215 HB3 LEU 35 1HB LEU 35 -1.001 -3.001 -4.382
216 HG LEU 35 HG LEU 35 0.978 -5.255 -3.931
217 HD11 LEU 35 1HD1 LEU 35 0.772 -3.441 -6.340
218 HD12 LEU 35 2HD1 LEU 35 -0.052 -4.999 -6.270
219 HD13 LEU 35 3HD1 LEU 35 1.708 -4.925 -6.172
220 HD21 LEU 35 3HD2 LEU 35 1.136 -2.266 -3.855
221 HD22 LEU 35 1HD2 LEU 35 2.491 -3.132 -4.578
222 HD23 LEU 35 2HD2 LEU 35 2.026 -3.461 -2.912
223 H LEU 36 H LEU 36 -3.207 -4.921 -2.715
224 HA LEU 36 HA LEU 36 -4.815 -2.641 -2.572
225 HB2 LEU 36 2HB LEU 36 -5.479 -5.473 -1.721
226 HB3 LEU 36 1HB LEU 36 -6.658 -4.194 -2.008
227 HG LEU 36 HG LEU 36 -4.718 -5.305 -4.058
228 HD11 LEU 36 1HD1 LEU 36 -6.425 -6.919 -3.764
229 HD12 LEU 36 2HD1 LEU 36 -6.976 -5.958 -5.136
230 HD13 LEU 36 3HD1 LEU 36 -7.667 -5.689 -3.537
231 HD21 LEU 36 3HD2 LEU 36 -5.023 -3.125 -4.795
232 HD22 LEU 36 1HD2 LEU 36 -6.605 -2.976 -4.029
233 HD23 LEU 36 2HD2 LEU 36 -6.432 -3.891 -5.527
234 H ALA 37 H ALA 37 -3.901 -4.907 0.019
235 HA ALA 37 HA ALA 37 -5.259 -3.515 2.086
236 HB1 ALA 37 1HB ALA 37 -4.398 -5.904 2.166
237 HB2 ALA 37 2HB ALA 37 -4.071 -4.930 3.600
238 HB3 ALA 37 3HB ALA 37 -2.791 -5.225 2.424
239 H ALA 38 H ALA 38 -2.041 -3.262 0.693
240 HA ALA 38 HA ALA 38 -1.045 -1.438 2.682
241 HB1 ALA 38 1HB ALA 38 0.098 -1.711 -0.086
242 HB2 ALA 38 2HB ALA 38 0.290 -3.006 1.096
243 HB3 ALA 38 3HB ALA 38 0.935 -1.400 1.436
244 H CYS 39 H CYS 39 -2.667 -1.173 -0.409
245 HA CYS 39 HA CYS 39 -2.158 1.613 -0.803
246 HB2 CYS 39 2HB CYS 39 -2.798 -0.030 -2.604
247 HB3 CYS 39 1HB CYS 39 -4.434 -0.018 -1.942
248 HG CYS 39 HG CYS 39 -4.837 2.164 -3.038
249 H ARG 40 H ARG 40 -5.033 -0.198 0.283
250 HA ARG 40 HA ARG 40 -6.733 1.935 0.770
251 HB2 ARG 40 2HB ARG 40 -6.446 -0.790 1.992
252 HB3 ARG 40 1HB ARG 40 -7.609 0.350 2.670
253 HG2 ARG 40 2HG ARG 40 -8.861 0.452 0.681
254 HG3 ARG 40 1HG ARG 40 -7.535 -0.172 -0.299
255 HD2 ARG 40 2HD ARG 40 -7.966 -2.361 0.268
256 HD3 ARG 40 1HD ARG 40 -8.558 -1.942 1.874
257 HE ARG 40 HE ARG 40 -10.273 -1.092 -0.311
258 HH11 ARG 40 1HH2 ARG 40 -9.426 -3.557 1.964
259 HH12 ARG 40 2HH2 ARG 40 -10.982 -4.316 1.933
260 HH21 ARG 40 1HH1 ARG 40 -12.318 -2.079 -0.357
261 HH22 ARG 40 2HH1 ARG 40 -12.621 -3.479 0.619
262 H GLU 41 H GLU 41 -4.037 0.765 2.687
263 HA GLU 41 HA GLU 41 -4.598 2.063 5.113
264 HB2 GLU 41 2HB GLU 41 -2.023 1.245 3.772
265 HB3 GLU 41 1HB GLU 41 -2.028 2.061 5.336
266 HG2 GLU 41 2HG GLU 41 -3.720 -0.387 4.834
267 HG3 GLU 41 1HG GLU 41 -2.041 -0.519 5.350
268 H GLU 42 H GLU 42 -2.756 3.187 2.278
269 HA GLU 42 HA GLU 42 -2.169 5.757 3.353
270 HB2 GLU 42 2HB GLU 42 -2.213 4.692 0.525
271 HB3 GLU 42 1HB GLU 42 -1.707 6.332 0.930
272 HG2 GLU 42 2HG GLU 42 -0.491 3.862 2.184
273 HG3 GLU 42 1HG GLU 42 0.182 4.656 0.763
274 H PHE 43 H PHE 43 -4.724 4.519 1.235
275 HA PHE 43 HA PHE 43 -5.969 6.850 0.457
276 HB2 PHE 43 2HB PHE 43 -6.584 4.432 -0.115
277 HB3 PHE 43 1HB PHE 43 -7.517 4.431 1.381
278 HD1 PHE 43 2HD PHE 43 -7.123 6.102 -1.916
279 HD2 PHE 43 1HD PHE 43 -9.612 5.570 1.543
280 HE1 PHE 43 2HE PHE 43 -8.982 7.265 -3.075
281 HE2 PHE 43 1HE PHE 43 -11.471 6.732 0.386
282 HZ PHE 43 HZ PHE 43 -11.156 7.581 -1.924
283 H HIS 44 H HIS 44 -6.407 5.078 3.508
284 HA HIS 44 HA HIS 44 -8.430 6.693 4.597
285 HB2 HIS 44 2HB HIS 44 -6.262 5.053 5.919
286 HB3 HIS 44 1HB HIS 44 -7.570 5.834 6.808
287 HD2 HIS 44 2HD HIS 44 -8.712 4.397 3.413
288 HE1 HIS 44 1HE HIS 44 -9.843 1.593 6.359
289 HE2 HIS 44 2HE HIS 44 -10.096 2.241 3.917
290 H ARG 45 H ARG 45 -4.907 7.025 4.660
291 HA ARG 45 HA ARG 45 -4.729 9.111 6.534
292 HB2 ARG 45 2HB ARG 45 -2.946 8.609 4.139
293 HB3 ARG 45 1HB ARG 45 -2.533 9.562 5.565
294 HG2 ARG 45 2HG ARG 45 -3.032 7.453 6.934
295 HG3 ARG 45 1HG ARG 45 -3.024 6.584 5.398
296 HD2 ARG 45 2HD ARG 45 -0.801 6.405 6.224
297 HD3 ARG 45 1HD ARG 45 -0.735 7.647 4.978
298 HE ARG 45 HE ARG 45 -0.270 9.220 6.633
299 HH11 ARG 45 1HH2 ARG 45 -1.382 6.238 7.990
300 HH12 ARG 45 2HH2 ARG 45 -1.011 6.682 9.623
301 HH21 ARG 45 1HH1 ARG 45 0.220 9.809 8.772
302 HH22 ARG 45 2HH1 ARG 45 -0.104 8.705 10.065
303 H ARG 46 H ARG 46 -5.542 9.123 3.123
304 HA ARG 46 HA ARG 46 -5.232 11.931 2.718
305 HB2 ARG 46 2HB ARG 46 -7.167 10.248 1.152
306 HB3 ARG 46 1HB ARG 46 -6.151 11.579 0.598
307 HG2 ARG 46 2HG ARG 46 -5.215 8.818 1.421
308 HG3 ARG 46 1HG ARG 46 -5.211 9.483 -0.210
309 HD2 ARG 46 2HD ARG 46 -3.678 11.304 0.628
310 HD3 ARG 46 1HD ARG 46 -3.565 10.430 2.152
311 HE ARG 46 HE ARG 46 -2.860 8.515 0.412
312 HH11 ARG 46 1HH2 ARG 46 -1.970 11.851 0.674
313 HH12 ARG 46 2HH2 ARG 46 -0.384 11.622 0.016
314 HH21 ARG 46 1HH1 ARG 46 -0.781 8.209 -0.450
315 HH22 ARG 46 2HH1 ARG 46 0.289 9.561 -0.620
316 H LEU 47 H LEU 47 -8.097 9.885 3.308
317 HA LEU 47 HA LEU 47 -10.049 11.853 3.307
318 HB2 LEU 47 2HB LEU 47 -9.751 9.218 4.695
319 HB3 LEU 47 1HB LEU 47 -11.080 10.272 5.177
320 HG LEU 47 HG LEU 47 -11.831 10.406 2.830
321 HD11 LEU 47 1HD1 LEU 47 -10.777 8.850 1.174
322 HD12 LEU 47 2HD1 LEU 47 -9.512 8.511 2.355
323 HD13 LEU 47 3HD1 LEU 47 -9.693 10.138 1.698
324 HD21 LEU 47 3HD2 LEU 47 -11.384 7.532 3.694
325 HD22 LEU 47 1HD2 LEU 47 -12.672 8.130 2.649
326 HD23 LEU 47 2HD2 LEU 47 -12.640 8.582 4.353
327 H LYS 48 H LYS 48 -7.783 10.954 5.856
328 HA LYS 48 HA LYS 48 -8.869 12.350 8.007
329 HB2 LYS 48 2HB LYS 48 -6.921 10.829 8.159
330 HB3 LYS 48 1HB LYS 48 -5.934 12.038 7.339
331 HG2 LYS 48 2HG LYS 48 -6.045 13.543 9.139
332 HG3 LYS 48 1HG LYS 48 -7.481 12.775 9.819
333 HD2 LYS 48 2HD LYS 48 -4.959 11.164 9.603
334 HD3 LYS 48 1HD LYS 48 -5.092 12.358 10.894
335 HE2 LYS 48 2HE LYS 48 -7.304 10.368 10.403
336 HE3 LYS 48 1HE LYS 48 -5.904 9.943 11.386
337 HZ1 LYS 48 3HZ LYS 48 -7.807 12.172 11.848
338 HZ2 LYS 48 1HZ LYS 48 -6.362 11.973 12.713
339 HZ3 LYS 48 2HZ LYS 48 -7.582 10.795 12.817
340 H VAL 49 H VAL 49 -6.401 13.508 5.697
341 HA VAL 49 HA VAL 49 -6.651 16.229 6.649
342 HB VAL 49 HB VAL 49 -5.242 15.390 4.123
343 HG11 VAL 49 1HG1 VAL 49 -5.507 17.822 4.873
344 HG12 VAL 49 2HG1 VAL 49 -3.854 17.278 4.584
345 HG13 VAL 49 3HG1 VAL 49 -4.464 17.412 6.233
346 HG21 VAL 49 3HG2 VAL 49 -3.247 14.952 5.565
347 HG22 VAL 49 1HG2 VAL 49 -4.546 13.789 5.830
348 HG23 VAL 49 2HG2 VAL 49 -4.283 15.093 6.986
349 H TYR 50 H TYR 50 -9.133 15.331 5.826
350 HA TYR 50 HA TYR 50 -9.751 17.271 3.770
351 HB2 TYR 50 2HB TYR 50 -9.225 14.674 2.922
352 HB3 TYR 50 1HB TYR 50 -10.984 14.719 3.032
353 HD1 TYR 50 2HD TYR 50 -8.021 16.420 1.556
354 HD2 TYR 50 1HD TYR 50 -12.292 15.962 1.470
355 HE1 TYR 50 2HE TYR 50 -8.117 17.712 -0.559
356 HE2 TYR 50 1HE TYR 50 -12.388 17.253 -0.645
357 HH TYR 50 HH TYR 50 -9.628 17.952 -2.498
358 H HIS 51 H HIS 51 -10.361 16.624 6.620
359 HA HIS 51 HA HIS 51 -13.043 15.713 6.831
360 HB2 HIS 51 2HB HIS 51 -11.374 15.815 8.711
361 HB3 HIS 51 1HB HIS 51 -11.591 17.565 8.731
362 HD2 HIS 51 2HD HIS 51 -15.009 16.286 7.997
363 HE1 HIS 51 1HE HIS 51 -14.786 16.225 12.212
364 HE2 HIS 51 2HE HIS 51 -16.359 16.083 10.224
Start of MODEL 5
1 H1 GLY 9 H GLY 9 11.742 -12.671 5.386
2 HA2 GLY 9 2HA GLY 9 9.090 -13.361 6.207
3 HA3 GLY 9 1HA GLY 9 10.073 -12.851 7.575
4 H THR 10 H THR 10 7.771 -11.476 6.611
5 HA THR 10 HA THR 10 7.038 -9.384 6.046
6 HB THR 10 HB THR 10 9.676 -8.128 6.530
7 HG1 THR 10 1HG THR 10 9.627 -8.683 8.713
8 HG21 THR 10 3HG2 THR 10 8.300 -6.744 8.035
9 HG22 THR 10 1HG2 THR 10 6.927 -7.820 7.769
10 HG23 THR 10 2HG2 THR 10 7.564 -6.856 6.436
11 H LYS 11 H LYS 11 6.613 -8.919 4.003
12 HA LYS 11 HA LYS 11 8.809 -8.126 2.228
13 HB2 LYS 11 2HB LYS 11 8.100 -9.569 0.455
14 HB3 LYS 11 1HB LYS 11 8.328 -10.559 1.896
15 HG2 LYS 11 2HG LYS 11 5.728 -9.946 2.233
16 HG3 LYS 11 1HG LYS 11 5.804 -9.836 0.476
17 HD2 LYS 11 2HD LYS 11 6.930 -12.111 0.490
18 HD3 LYS 11 1HD LYS 11 6.515 -12.216 2.202
19 HE2 LYS 11 2HE LYS 11 4.521 -11.777 -0.043
20 HE3 LYS 11 1HE LYS 11 4.810 -13.318 0.766
21 HZ1 LYS 11 3HZ LYS 11 3.330 -12.683 2.270
22 HZ2 LYS 11 1HZ LYS 11 3.225 -11.122 1.614
23 HZ3 LYS 11 2HZ LYS 11 4.412 -11.476 2.776
24 H LYS 12 H LYS 12 7.046 -6.439 3.482
25 HA LYS 12 HA LYS 12 4.788 -5.844 1.788
26 HB2 LYS 12 2HB LYS 12 6.072 -4.458 4.140
27 HB3 LYS 12 1HB LYS 12 4.748 -3.723 3.235
28 HG2 LYS 12 2HG LYS 12 3.972 -5.022 5.232
29 HG3 LYS 12 1HG LYS 12 3.300 -5.616 3.713
30 HD2 LYS 12 2HD LYS 12 4.732 -7.497 3.675
31 HD3 LYS 12 1HD LYS 12 5.835 -6.791 4.859
32 HE2 LYS 12 2HE LYS 12 4.448 -8.541 5.898
33 HE3 LYS 12 1HE LYS 12 4.079 -6.961 6.590
34 HZ1 LYS 12 3HZ LYS 12 2.365 -8.737 5.220
35 HZ2 LYS 12 1HZ LYS 12 2.441 -7.267 4.377
36 HZ3 LYS 12 2HZ LYS 12 1.982 -7.284 6.013
37 H TYR 13 H TYR 13 4.781 -3.155 1.486
38 HA TYR 13 HA TYR 13 7.139 -2.596 -0.222
39 HB2 TYR 13 2HB TYR 13 4.294 -1.722 -0.765
40 HB3 TYR 13 1HB TYR 13 5.692 -1.518 -1.821
41 HD1 TYR 13 2HD TYR 13 6.720 -3.462 -2.946
42 HD2 TYR 13 1HD TYR 13 3.183 -3.864 -0.543
43 HE1 TYR 13 2HE TYR 13 6.305 -5.701 -3.931
44 HE2 TYR 13 1HE TYR 13 2.768 -6.102 -1.527
45 HH TYR 13 HH TYR 13 3.599 -7.723 -2.818
46 H ASP 14 H ASP 14 7.763 -0.398 -0.400
47 HA ASP 14 HA ASP 14 7.069 1.187 1.975
48 HB2 ASP 14 2HB ASP 14 9.271 1.575 -0.066
49 HB3 ASP 14 1HB ASP 14 9.065 2.496 1.424
50 H LEU 15 H LEU 15 5.375 2.492 1.699
51 HA LEU 15 HA LEU 15 4.959 3.808 -0.903
52 HB2 LEU 15 2HB LEU 15 3.078 3.941 1.446
53 HB3 LEU 15 1HB LEU 15 2.717 4.131 -0.270
54 HG LEU 15 HG LEU 15 3.546 1.565 1.119
55 HD11 LEU 15 1HD1 LEU 15 1.250 0.871 0.211
56 HD12 LEU 15 2HD1 LEU 15 0.958 2.588 -0.071
57 HD13 LEU 15 3HD1 LEU 15 1.244 1.999 1.567
58 HD21 LEU 15 3HD2 LEU 15 3.027 0.589 -1.181
59 HD22 LEU 15 1HD2 LEU 15 4.511 1.536 -1.081
60 HD23 LEU 15 2HD2 LEU 15 3.061 2.241 -1.794
61 H SER 16 H SER 16 7.135 4.686 0.635
62 HA SER 16 HA SER 16 6.996 6.669 2.433
63 HB2 SER 16 2HB SER 16 8.826 7.842 1.168
64 HB3 SER 16 1HB SER 16 9.104 6.121 1.423
65 HG SER 16 HG SER 16 8.261 5.788 -0.699
66 H LYS 17 H LYS 17 5.934 6.948 -0.922
67 HA LYS 17 HA LYS 17 4.219 9.162 -0.253
68 HB2 LYS 17 2HB LYS 17 5.224 10.774 -1.817
69 HB3 LYS 17 1HB LYS 17 6.339 10.366 -0.517
70 HG2 LYS 17 2HG LYS 17 7.820 9.996 -2.218
71 HG3 LYS 17 1HG LYS 17 6.993 8.447 -2.349
72 HD2 LYS 17 2HD LYS 17 6.832 9.168 -4.546
73 HD3 LYS 17 1HD LYS 17 5.339 9.846 -3.904
74 HE2 LYS 17 2HE LYS 17 7.972 11.341 -4.091
75 HE3 LYS 17 1HE LYS 17 6.641 11.503 -5.235
76 HZ1 LYS 17 3HZ LYS 17 6.274 13.223 -3.764
77 HZ2 LYS 17 1HZ LYS 17 6.762 12.326 -2.410
78 HZ3 LYS 17 2HZ LYS 17 5.262 12.006 -3.143
79 H TRP 18 H TRP 18 2.465 9.068 -1.502
80 HA TRP 18 HA TRP 18 2.664 7.913 -4.205
81 HB2 TRP 18 2HB TRP 18 1.006 6.909 -1.918
82 HB3 TRP 18 1HB TRP 18 0.352 6.807 -3.550
83 HD1 TRP 18 HD TRP 18 3.628 5.874 -1.710
84 HE1 TRP 18 1HE TRP 18 4.525 3.686 -2.733
85 HE3 TRP 18 3HE TRP 18 0.149 5.123 -5.369
86 HZ2 TRP 18 2HZ TRP 18 3.853 1.855 -4.825
87 HZ3 TRP 18 3HZ TRP 18 0.299 3.149 -6.861
88 HH2 TRP 18 HH TRP 18 2.145 1.515 -6.593
89 H LYS 19 H LYS 19 0.570 8.264 -5.420
90 HA LYS 19 HA LYS 19 -0.438 10.973 -4.803
91 HB2 LYS 19 2HB LYS 19 -0.307 9.436 -7.408
92 HB3 LYS 19 1HB LYS 19 -1.087 11.004 -7.222
93 HG2 LYS 19 2HG LYS 19 1.000 11.743 -7.860
94 HG3 LYS 19 1HG LYS 19 1.294 11.615 -6.128
95 HD2 LYS 19 2HD LYS 19 2.026 9.191 -6.605
96 HD3 LYS 19 1HD LYS 19 2.073 9.669 -8.302
97 HE2 LYS 19 2HE LYS 19 3.582 11.579 -7.633
98 HE3 LYS 19 1HE LYS 19 3.660 10.872 -6.020
99 HZ1 LYS 19 3HZ LYS 19 4.209 9.126 -8.299
100 HZ2 LYS 19 1HZ LYS 19 4.882 9.119 -6.740
101 HZ3 LYS 19 2HZ LYS 19 5.399 10.267 -7.882
102 H TYR 20 H TYR 20 -2.601 11.387 -4.673
103 HA TYR 20 HA TYR 20 -4.355 9.450 -3.753
104 HB2 TYR 20 2HB TYR 20 -4.603 11.987 -3.647
105 HB3 TYR 20 1HB TYR 20 -5.247 11.893 -5.287
106 HD1 TYR 20 1HD TYR 20 -7.254 10.372 -5.724
107 HD2 TYR 20 2HD TYR 20 -5.965 11.473 -1.777
108 HE1 TYR 20 1HE TYR 20 -9.473 9.732 -4.821
109 HE2 TYR 20 2HE TYR 20 -8.185 10.833 -0.874
110 HH TYR 20 HH TYR 20 -10.402 10.462 -1.545
111 H ALA 21 H ALA 21 -3.577 10.366 -7.035
112 HA ALA 21 HA ALA 21 -5.796 8.947 -8.221
113 HB1 ALA 21 1HB ALA 21 -3.280 10.157 -9.385
114 HB2 ALA 21 2HB ALA 21 -4.910 10.829 -9.428
115 HB3 ALA 21 3HB ALA 21 -4.530 9.377 -10.354
116 H GLU 22 H GLU 22 -2.316 8.381 -7.797
117 HA GLU 22 HA GLU 22 -2.174 5.937 -9.194
118 HB2 GLU 22 2HB GLU 22 -0.517 7.100 -6.956
119 HB3 GLU 22 1HB GLU 22 -0.137 5.553 -7.712
120 HG2 GLU 22 2HG GLU 22 -0.531 8.085 -9.316
121 HG3 GLU 22 1HG GLU 22 1.045 7.597 -8.693
122 H LEU 23 H LEU 23 -2.773 6.652 -5.767
123 HA LEU 23 HA LEU 23 -2.844 4.031 -4.796
124 HB2 LEU 23 2HB LEU 23 -4.421 6.456 -3.911
125 HB3 LEU 23 1HB LEU 23 -4.286 4.960 -2.988
126 HG LEU 23 HG LEU 23 -1.919 6.634 -3.868
127 HD11 LEU 23 1HD1 LEU 23 -3.498 6.567 -1.293
128 HD12 LEU 23 2HD1 LEU 23 -3.089 7.966 -2.282
129 HD13 LEU 23 3HD1 LEU 23 -1.833 7.146 -1.354
130 HD21 LEU 23 3HD2 LEU 23 -1.066 4.494 -3.477
131 HD22 LEU 23 1HD2 LEU 23 -2.280 4.121 -2.253
132 HD23 LEU 23 2HD2 LEU 23 -0.943 5.205 -1.870
133 H ARG 24 H ARG 24 -5.513 6.047 -6.025
134 HA ARG 24 HA ARG 24 -7.482 3.999 -5.774
135 HB2 ARG 24 2HB ARG 24 -7.878 6.519 -5.931
136 HB3 ARG 24 1HB ARG 24 -7.607 6.349 -7.665
137 HG2 ARG 24 2HG ARG 24 -9.905 6.051 -7.601
138 HG3 ARG 24 1HG ARG 24 -9.383 4.380 -7.402
139 HD2 ARG 24 2HD ARG 24 -9.424 4.860 -4.868
140 HD3 ARG 24 1HD ARG 24 -10.339 6.305 -5.284
141 HE ARG 24 HE ARG 24 -11.339 3.633 -5.239
142 HH11 ARG 24 1HH2 ARG 24 -11.484 6.644 -6.938
143 HH12 ARG 24 2HH2 ARG 24 -13.099 6.400 -7.515
144 HH21 ARG 24 1HH1 ARG 24 -13.458 3.306 -5.992
145 HH22 ARG 24 2HH1 ARG 24 -14.216 4.510 -6.979
146 H ASP 25 H ASP 25 -5.371 5.084 -8.388
147 HA ASP 25 HA ASP 25 -6.548 3.557 -10.462
148 HB2 ASP 25 2HB ASP 25 -4.914 5.458 -10.747
149 HB3 ASP 25 1HB ASP 25 -3.640 4.352 -10.239
150 H THR 26 H THR 26 -3.738 2.906 -8.365
151 HA THR 26 HA THR 26 -3.004 0.426 -9.377
152 HB THR 26 HB THR 26 -2.959 1.168 -6.447
153 HG1 THR 26 1HG THR 26 -1.495 2.581 -6.920
154 HG21 THR 26 3HG2 THR 26 -1.096 -0.515 -8.144
155 HG22 THR 26 1HG2 THR 26 -2.341 -1.166 -7.078
156 HG23 THR 26 2HG2 THR 26 -0.986 -0.262 -6.402
157 H ILE 27 H ILE 27 -5.519 1.234 -7.021
158 HA ILE 27 HA ILE 27 -6.188 -1.489 -6.429
159 HB ILE 27 HB ILE 27 -7.744 1.076 -6.017
160 HG12 ILE 27 2HG1 ILE 27 -6.209 -0.602 -4.015
161 HG13 ILE 27 1HG1 ILE 27 -5.504 0.789 -4.838
162 HG21 ILE 27 1HG2 ILE 27 -8.216 -1.782 -5.159
163 HG22 ILE 27 2HG2 ILE 27 -9.342 -0.676 -5.948
164 HG23 ILE 27 3HG2 ILE 27 -8.894 -0.424 -4.260
165 HD11 ILE 27 3HD1 ILE 27 -6.629 1.139 -2.500
166 HD12 ILE 27 1HD1 ILE 27 -8.139 1.069 -3.411
167 HD13 ILE 27 2HD1 ILE 27 -6.941 2.308 -3.783
168 H ASN 28 H ASN 28 -7.275 0.902 -8.762
169 HA ASN 28 HA ASN 28 -9.441 -0.831 -9.692
170 HB2 ASN 28 2HB ASN 28 -8.538 1.946 -10.460
171 HB3 ASN 28 1HB ASN 28 -9.816 1.081 -11.313
172 HD21 ASN 28 1HD2 ASN 28 -8.941 1.769 -7.869
173 HD22 ASN 28 2HD2 ASN 28 -10.530 2.133 -7.396
174 H THR 29 H THR 29 -6.297 -1.067 -10.052
175 HA THR 29 HA THR 29 -6.496 -1.947 -12.865
176 HB THR 29 HB THR 29 -4.121 -1.158 -13.168
177 HG1 THR 29 1HG THR 29 -3.788 0.686 -11.560
178 HG21 THR 29 3HG2 THR 29 -5.167 1.421 -12.760
179 HG22 THR 29 1HG2 THR 29 -6.570 0.407 -13.097
180 HG23 THR 29 2HG2 THR 29 -5.238 0.480 -14.250
181 H SER 30 H SER 30 -4.354 -1.993 -10.005
182 HA SER 30 HA SER 30 -3.362 -4.631 -10.725
183 HB2 SER 30 2HB SER 30 -2.069 -2.645 -9.586
184 HB3 SER 30 1HB SER 30 -2.770 -3.296 -8.107
185 HG SER 30 HG SER 30 -0.779 -4.281 -9.705
186 H CYS 31 H CYS 31 -3.151 -6.169 -8.706
187 HA CYS 31 HA CYS 31 -5.453 -6.177 -6.952
188 HB2 CYS 31 2HB CYS 31 -6.267 -7.114 -9.177
189 HB3 CYS 31 1HB CYS 31 -5.181 -8.473 -8.892
190 HG CYS 31 HG CYS 31 -7.768 -7.878 -7.308
191 H ASP 32 H ASP 32 -4.768 -6.951 -5.070
192 HA ASP 32 HA ASP 32 -3.322 -9.366 -4.766
193 HB2 ASP 32 2HB ASP 32 -1.588 -7.551 -5.627
194 HB3 ASP 32 1HB ASP 32 -1.609 -7.057 -3.937
195 H ILE 33 H ILE 33 -2.955 -9.898 -2.537
196 HA ILE 33 HA ILE 33 -4.837 -8.585 -0.766
197 HB ILE 33 HB ILE 33 -2.951 -10.899 -0.256
198 HG12 ILE 33 2HG1 ILE 33 -4.851 -11.040 -2.080
199 HG13 ILE 33 1HG1 ILE 33 -4.657 -12.353 -0.921
200 HG21 ILE 33 1HG2 ILE 33 -4.780 -11.327 1.547
201 HG22 ILE 33 2HG2 ILE 33 -5.177 -9.624 1.325
202 HG23 ILE 33 3HG2 ILE 33 -3.564 -10.091 1.863
203 HD11 ILE 33 3HD1 ILE 33 -6.502 -10.045 -0.320
204 HD12 ILE 33 1HD1 ILE 33 -6.518 -11.676 0.349
205 HD13 ILE 33 2HD1 ILE 33 -7.046 -11.398 -1.311
206 H GLU 34 H GLU 34 -1.678 -8.034 -1.624
207 HA GLU 34 HA GLU 34 -0.907 -7.018 1.038
208 HB2 GLU 34 2HB GLU 34 0.802 -7.376 -1.433
209 HB3 GLU 34 1HB GLU 34 1.364 -6.961 0.187
210 HG2 GLU 34 2HG GLU 34 0.585 -9.108 1.050
211 HG3 GLU 34 1HG GLU 34 -0.097 -9.521 -0.524
212 H LEU 35 H LEU 35 -0.514 -6.026 -2.377
213 HA LEU 35 HA LEU 35 0.032 -3.340 -1.900
214 HB2 LEU 35 2HB LEU 35 -1.182 -4.804 -4.226
215 HB3 LEU 35 1HB LEU 35 -1.060 -3.048 -4.256
216 HG LEU 35 HG LEU 35 1.286 -4.887 -3.704
217 HD11 LEU 35 1HD1 LEU 35 0.637 -3.422 -6.275
218 HD12 LEU 35 2HD1 LEU 35 0.290 -5.132 -6.015
219 HD13 LEU 35 3HD1 LEU 35 1.959 -4.558 -5.996
220 HD21 LEU 35 3HD2 LEU 35 2.357 -2.580 -4.604
221 HD22 LEU 35 1HD2 LEU 35 2.009 -2.850 -2.898
222 HD23 LEU 35 2HD2 LEU 35 0.882 -1.931 -3.893
223 H LEU 36 H LEU 36 -3.134 -4.838 -2.603
224 HA LEU 36 HA LEU 36 -4.699 -2.540 -2.452
225 HB2 LEU 36 2HB LEU 36 -5.403 -5.354 -1.579
226 HB3 LEU 36 1HB LEU 36 -6.565 -4.059 -1.864
227 HG LEU 36 HG LEU 36 -4.638 -5.162 -3.932
228 HD11 LEU 36 1HD1 LEU 36 -7.649 -5.417 -3.901
229 HD12 LEU 36 2HD1 LEU 36 -6.609 -6.629 -3.153
230 HD13 LEU 36 3HD1 LEU 36 -6.489 -6.309 -4.882
231 HD21 LEU 36 3HD2 LEU 36 -6.411 -3.813 -5.385
232 HD22 LEU 36 1HD2 LEU 36 -5.029 -2.990 -4.663
233 HD23 LEU 36 2HD2 LEU 36 -6.611 -2.901 -3.889
234 H ALA 37 H ALA 37 -3.792 -4.789 0.155
235 HA ALA 37 HA ALA 37 -5.129 -3.376 2.221
236 HB1 ALA 37 1HB ALA 37 -2.664 -5.095 2.545
237 HB2 ALA 37 2HB ALA 37 -4.280 -5.763 2.319
238 HB3 ALA 37 3HB ALA 37 -3.924 -4.780 3.737
239 H ALA 38 H ALA 38 -1.962 -3.083 0.748
240 HA ALA 38 HA ALA 38 -0.895 -1.303 2.738
241 HB1 ALA 38 1HB ALA 38 0.096 -1.548 -0.097
242 HB2 ALA 38 2HB ALA 38 0.417 -2.797 1.106
243 HB3 ALA 38 3HB ALA 38 1.012 -1.158 1.358
244 H CYS 39 H CYS 39 -2.529 -0.954 -0.363
245 HA CYS 39 HA CYS 39 -2.119 1.868 -0.591
246 HB2 CYS 39 2HB CYS 39 -2.592 0.552 -2.572
247 HB3 CYS 39 1HB CYS 39 -4.132 0.020 -1.894
248 HG CYS 39 HG CYS 39 -3.979 2.385 -3.528
249 H ARG 40 H ARG 40 -4.920 -0.121 0.365
250 HA ARG 40 HA ARG 40 -6.755 1.868 0.905
251 HB2 ARG 40 2HB ARG 40 -6.266 -0.772 2.288
252 HB3 ARG 40 1HB ARG 40 -7.643 0.265 2.667
253 HG2 ARG 40 2HG ARG 40 -8.476 0.120 0.416
254 HG3 ARG 40 1HG ARG 40 -6.999 -0.669 -0.140
255 HD2 ARG 40 2HD ARG 40 -8.664 -2.386 0.128
256 HD3 ARG 40 1HD ARG 40 -7.512 -2.560 1.450
257 HE ARG 40 HE ARG 40 -9.417 -0.969 2.539
258 HH11 ARG 40 1HH2 ARG 40 -9.502 -3.926 0.743
259 HH12 ARG 40 2HH2 ARG 40 -10.936 -4.515 1.516
260 HH21 ARG 40 1HH1 ARG 40 -11.298 -1.734 3.555
261 HH22 ARG 40 2HH1 ARG 40 -11.953 -3.273 3.108
262 H GLU 41 H GLU 41 -3.983 0.861 2.813
263 HA GLU 41 HA GLU 41 -4.648 2.137 5.239
264 HB2 GLU 41 2HB GLU 41 -2.028 1.370 3.961
265 HB3 GLU 41 1HB GLU 41 -2.086 2.197 5.520
266 HG2 GLU 41 2HG GLU 41 -3.277 0.420 6.544
267 HG3 GLU 41 1HG GLU 41 -3.703 -0.298 4.990
268 H GLU 42 H GLU 42 -2.782 3.290 2.433
269 HA GLU 42 HA GLU 42 -2.326 5.893 3.529
270 HB2 GLU 42 2HB GLU 42 -2.158 4.853 0.690
271 HB3 GLU 42 1HB GLU 42 -1.636 6.461 1.195
272 HG2 GLU 42 2HG GLU 42 -0.590 3.898 2.417
273 HG3 GLU 42 1HG GLU 42 0.219 4.754 1.107
274 H PHE 43 H PHE 43 -4.547 4.632 1.048
275 HA PHE 43 HA PHE 43 -5.836 6.950 0.307
276 HB2 PHE 43 2HB PHE 43 -6.197 4.565 -0.552
277 HB3 PHE 43 1HB PHE 43 -7.327 4.373 0.788
278 HD1 PHE 43 1HD PHE 43 -9.374 5.760 0.924
279 HD2 PHE 43 2HD PHE 43 -6.716 5.979 -2.443
280 HE1 PHE 43 1HE PHE 43 -11.129 6.927 -0.384
281 HE2 PHE 43 2HE PHE 43 -8.470 7.146 -3.753
282 HZ PHE 43 HZ PHE 43 -10.677 7.619 -2.722
283 H HIS 44 H HIS 44 -6.269 5.045 3.236
284 HA HIS 44 HA HIS 44 -8.623 6.404 4.130
285 HB2 HIS 44 2HB HIS 44 -6.585 4.687 5.552
286 HB3 HIS 44 1HB HIS 44 -8.012 5.351 6.345
287 HD2 HIS 44 2HD HIS 44 -9.053 4.444 2.833
288 HE1 HIS 44 1HE HIS 44 -9.821 0.983 5.123
289 HE2 HIS 44 2HE HIS 44 -10.234 2.116 2.889
290 H ARG 45 H ARG 45 -5.161 6.875 4.598
291 HA ARG 45 HA ARG 45 -5.308 8.743 6.711
292 HB2 ARG 45 2HB ARG 45 -3.238 8.276 4.562
293 HB3 ARG 45 1HB ARG 45 -3.025 9.450 5.862
294 HG2 ARG 45 2HG ARG 45 -3.321 7.671 7.536
295 HG3 ARG 45 1HG ARG 45 -3.560 6.490 6.247
296 HD2 ARG 45 2HD ARG 45 -1.311 6.800 5.445
297 HD3 ARG 45 1HD ARG 45 -1.063 8.182 6.509
298 HE ARG 45 HE ARG 45 -1.719 5.770 7.944
299 HH11 ARG 45 1HH2 ARG 45 0.777 7.602 6.398
300 HH12 ARG 45 2HH2 ARG 45 2.056 6.923 7.348
301 HH21 ARG 45 1HH1 ARG 45 -0.047 4.874 9.195
302 HH22 ARG 45 2HH1 ARG 45 1.589 5.379 8.931
303 H ARG 46 H ARG 46 -5.904 9.036 3.310
304 HA ARG 46 HA ARG 46 -5.511 11.852 3.088
305 HB2 ARG 46 2HB ARG 46 -7.432 10.321 1.360
306 HB3 ARG 46 1HB ARG 46 -6.361 11.652 0.922
307 HG2 ARG 46 2HG ARG 46 -5.526 8.821 1.618
308 HG3 ARG 46 1HG ARG 46 -5.456 9.572 0.026
309 HD2 ARG 46 2HD ARG 46 -3.901 11.300 0.994
310 HD3 ARG 46 1HD ARG 46 -3.866 10.360 2.482
311 HE ARG 46 HE ARG 46 -3.137 8.493 0.721
312 HH11 ARG 46 1HH2 ARG 46 -2.210 11.816 1.031
313 HH12 ARG 46 2HH2 ARG 46 -0.622 11.575 0.385
314 HH21 ARG 46 1HH1 ARG 46 -1.052 8.173 -0.123
315 HH22 ARG 46 2HH1 ARG 46 0.032 9.514 -0.269
316 H LEU 47 H LEU 47 -8.395 9.830 3.608
317 HA LEU 47 HA LEU 47 -10.328 11.839 3.609
318 HB2 LEU 47 2HB LEU 47 -10.115 9.177 4.988
319 HB3 LEU 47 1HB LEU 47 -11.481 10.239 5.329
320 HG LEU 47 HG LEU 47 -12.099 10.296 2.984
321 HD11 LEU 47 1HD1 LEU 47 -9.997 10.295 1.866
322 HD12 LEU 47 2HD1 LEU 47 -10.769 8.779 1.398
323 HD13 LEU 47 3HD1 LEU 47 -9.506 8.783 2.630
324 HD21 LEU 47 3HD2 LEU 47 -11.427 7.428 3.703
325 HD22 LEU 47 1HD2 LEU 47 -12.750 7.989 2.681
326 HD23 LEU 47 2HD2 LEU 47 -12.773 8.317 4.415
327 H LYS 48 H LYS 48 -7.952 10.994 6.017
328 HA LYS 48 HA LYS 48 -9.079 12.206 8.282
329 HB2 LYS 48 2HB LYS 48 -6.980 10.746 8.123
330 HB3 LYS 48 1HB LYS 48 -6.130 12.221 7.661
331 HG2 LYS 48 2HG LYS 48 -6.746 13.306 9.732
332 HG3 LYS 48 1HG LYS 48 -7.802 11.964 10.178
333 HD2 LYS 48 2HD LYS 48 -4.918 11.384 9.605
334 HD3 LYS 48 1HD LYS 48 -5.337 12.122 11.150
335 HE2 LYS 48 2HE LYS 48 -6.957 10.294 11.571
336 HE3 LYS 48 1HE LYS 48 -6.494 9.545 10.045
337 HZ1 LYS 48 3HZ LYS 48 -5.223 8.483 11.680
338 HZ2 LYS 48 1HZ LYS 48 -4.838 9.936 12.464
339 HZ3 LYS 48 2HZ LYS 48 -4.152 9.581 10.949
340 H VAL 49 H VAL 49 -6.820 13.556 5.874
341 HA VAL 49 HA VAL 49 -7.091 16.221 6.991
342 HB VAL 49 HB VAL 49 -5.818 15.789 4.327
343 HG11 VAL 49 1HG1 VAL 49 -4.679 17.122 6.783
344 HG12 VAL 49 2HG1 VAL 49 -5.881 17.941 5.785
345 HG13 VAL 49 3HG1 VAL 49 -4.336 17.459 5.085
346 HG21 VAL 49 3HG2 VAL 49 -3.755 14.939 5.536
347 HG22 VAL 49 1HG2 VAL 49 -5.078 13.777 5.423
348 HG23 VAL 49 2HG2 VAL 49 -4.788 14.638 6.934
349 H TYR 50 H TYR 50 -6.976 17.618 4.468
350 HA TYR 50 HA TYR 50 -8.548 18.821 3.258
351 HB2 TYR 50 2HB TYR 50 -9.390 16.074 2.335
352 HB3 TYR 50 1HB TYR 50 -9.374 17.578 1.412
353 HD1 TYR 50 1HD TYR 50 -6.912 18.802 1.579
354 HD2 TYR 50 2HD TYR 50 -7.685 14.581 1.789
355 HE1 TYR 50 1HE TYR 50 -4.588 18.339 0.851
356 HE2 TYR 50 2HE TYR 50 -5.360 14.119 1.060
357 HH TYR 50 HH TYR 50 -3.151 15.304 1.111
358 H HIS 51 H HIS 51 -9.499 18.500 5.830
359 HA HIS 51 HA HIS 51 -12.123 17.356 5.893
360 HB2 HIS 51 2HB HIS 51 -12.304 18.695 8.039
361 HB3 HIS 51 1HB HIS 51 -10.963 17.550 7.972
362 HD2 HIS 51 2HD HIS 51 -8.730 18.815 8.966
363 HE1 HIS 51 1HE HIS 51 -9.462 22.674 7.417
364 HE2 HIS 51 2HE HIS 51 -7.838 21.261 8.762
Start of MODEL 6
1 H1 GLY 9 H GLY 9 8.757 -14.657 -0.330
2 HA2 GLY 9 2HA GLY 9 7.397 -16.437 -2.166
3 HA3 GLY 9 1HA GLY 9 6.675 -16.367 -0.561
4 H THR 10 H THR 10 7.895 -13.451 -0.652
5 HA THR 10 HA THR 10 6.061 -12.140 -2.484
6 HB THR 10 HB THR 10 4.688 -12.653 -0.444
7 HG1 THR 10 1HG THR 10 4.954 -10.428 -1.782
8 HG21 THR 10 3HG2 THR 10 6.447 -10.621 0.935
9 HG22 THR 10 1HG2 THR 10 6.715 -12.356 1.100
10 HG23 THR 10 2HG2 THR 10 5.197 -11.644 1.648
11 H LYS 11 H LYS 11 6.118 -9.641 -1.162
12 HA LYS 11 HA LYS 11 8.739 -8.849 -0.414
13 HB2 LYS 11 2HB LYS 11 8.998 -9.390 -2.908
14 HB3 LYS 11 1HB LYS 11 7.999 -7.967 -3.202
15 HG2 LYS 11 2HG LYS 11 9.587 -6.566 -1.967
16 HG3 LYS 11 1HG LYS 11 10.574 -7.982 -1.598
17 HD2 LYS 11 2HD LYS 11 10.713 -8.338 -4.143
18 HD3 LYS 11 1HD LYS 11 10.090 -6.694 -4.288
19 HE2 LYS 11 2HE LYS 11 12.582 -7.483 -2.750
20 HE3 LYS 11 1HE LYS 11 12.568 -6.735 -4.347
21 HZ1 LYS 11 3HZ LYS 11 11.046 -5.021 -3.067
22 HZ2 LYS 11 1HZ LYS 11 12.737 -4.882 -3.083
23 HZ3 LYS 11 2HZ LYS 11 11.955 -5.573 -1.742
24 H LYS 12 H LYS 12 7.952 -7.481 1.086
25 HA LYS 12 HA LYS 12 5.638 -5.967 1.006
26 HB2 LYS 12 2HB LYS 12 8.270 -5.547 2.411
27 HB3 LYS 12 1HB LYS 12 6.938 -4.408 2.604
28 HG2 LYS 12 2HG LYS 12 6.852 -6.077 4.389
29 HG3 LYS 12 1HG LYS 12 5.469 -6.288 3.315
30 HD2 LYS 12 2HD LYS 12 6.413 -8.196 2.282
31 HD3 LYS 12 1HD LYS 12 8.026 -7.834 2.894
32 HE2 LYS 12 2HE LYS 12 7.063 -9.669 4.185
33 HE3 LYS 12 1HE LYS 12 7.200 -8.242 5.212
34 HZ1 LYS 12 3HZ LYS 12 4.723 -8.845 3.718
35 HZ2 LYS 12 1HZ LYS 12 4.927 -7.820 5.053
36 HZ3 LYS 12 2HZ LYS 12 5.016 -9.505 5.256
37 H TYR 13 H TYR 13 5.975 -3.363 1.263
38 HA TYR 13 HA TYR 13 7.563 -2.304 -0.948
39 HB2 TYR 13 2HB TYR 13 4.612 -1.698 -0.862
40 HB3 TYR 13 1HB TYR 13 5.760 -1.393 -2.166
41 HD1 TYR 13 2HD TYR 13 6.573 -3.226 -3.591
42 HD2 TYR 13 1HD TYR 13 3.673 -3.911 -0.497
43 HE1 TYR 13 2HE TYR 13 6.039 -5.436 -4.581
44 HE2 TYR 13 1HE TYR 13 3.138 -6.121 -1.488
45 HH TYR 13 HH TYR 13 3.820 -7.002 -4.490
46 H ASP 14 H ASP 14 7.888 -0.054 -0.828
47 HA ASP 14 HA ASP 14 7.234 1.106 1.811
48 HB2 ASP 14 2HB ASP 14 9.116 2.700 1.230
49 HB3 ASP 14 1HB ASP 14 9.596 1.022 1.477
50 H LEU 15 H LEU 15 5.459 2.332 1.707
51 HA LEU 15 HA LEU 15 4.892 3.890 -0.718
52 HB2 LEU 15 2HB LEU 15 3.121 3.788 1.709
53 HB3 LEU 15 1HB LEU 15 2.678 4.029 0.020
54 HG LEU 15 HG LEU 15 3.686 1.453 1.263
55 HD11 LEU 15 1HD1 LEU 15 1.393 1.746 1.831
56 HD12 LEU 15 2HD1 LEU 15 1.384 0.689 0.419
57 HD13 LEU 15 3HD1 LEU 15 1.003 2.401 0.242
58 HD21 LEU 15 3HD2 LEU 15 4.547 1.608 -0.994
59 HD22 LEU 15 1HD2 LEU 15 2.996 2.187 -1.598
60 HD23 LEU 15 2HD2 LEU 15 3.156 0.526 -1.031
61 H SER 16 H SER 16 7.114 4.715 0.821
62 HA SER 16 HA SER 16 6.901 6.572 2.772
63 HB2 SER 16 2HB SER 16 8.525 6.785 0.232
64 HB3 SER 16 1HB SER 16 8.738 7.843 1.624
65 HG SER 16 HG SER 16 8.929 5.006 1.610
66 H LYS 17 H LYS 17 5.873 6.981 -0.570
67 HA LYS 17 HA LYS 17 4.149 9.171 0.175
68 HB2 LYS 17 2HB LYS 17 5.127 10.814 -1.371
69 HB3 LYS 17 1HB LYS 17 6.274 10.373 -0.105
70 HG2 LYS 17 2HG LYS 17 7.736 9.946 -1.789
71 HG3 LYS 17 1HG LYS 17 6.788 8.490 -2.085
72 HD2 LYS 17 2HD LYS 17 5.374 9.722 -3.681
73 HD3 LYS 17 1HD LYS 17 6.299 11.192 -3.374
74 HE2 LYS 17 2HE LYS 17 6.985 9.889 -5.450
75 HE3 LYS 17 1HE LYS 17 8.287 10.247 -4.316
76 HZ1 LYS 17 3HZ LYS 17 8.331 8.081 -3.549
77 HZ2 LYS 17 1HZ LYS 17 8.057 7.870 -5.210
78 HZ3 LYS 17 2HZ LYS 17 6.768 7.729 -4.113
79 H TRP 18 H TRP 18 2.372 9.094 -1.050
80 HA TRP 18 HA TRP 18 2.531 7.969 -3.771
81 HB2 TRP 18 2HB TRP 18 0.928 6.936 -1.461
82 HB3 TRP 18 1HB TRP 18 0.222 6.863 -3.073
83 HD1 TRP 18 HD TRP 18 3.568 5.898 -1.373
84 HE1 TRP 18 1HE TRP 18 4.412 3.717 -2.454
85 HE3 TRP 18 3HE TRP 18 -0.073 5.188 -4.880
86 HZ2 TRP 18 2HZ TRP 18 3.641 1.905 -4.529
87 HZ3 TRP 18 3HZ TRP 18 0.004 3.227 -6.392
88 HH2 TRP 18 HH TRP 18 1.855 1.584 -6.222
89 H LYS 19 H LYS 19 0.426 8.331 -4.957
90 HA LYS 19 HA LYS 19 -0.694 10.971 -4.208
91 HB2 LYS 19 2HB LYS 19 -0.323 9.734 -6.949
92 HB3 LYS 19 1HB LYS 19 -1.108 11.281 -6.632
93 HG2 LYS 19 2HG LYS 19 1.017 12.075 -7.016
94 HG3 LYS 19 1HG LYS 19 1.201 11.710 -5.302
95 HD2 LYS 19 2HD LYS 19 2.018 9.411 -5.974
96 HD3 LYS 19 1HD LYS 19 2.028 9.974 -7.645
97 HE2 LYS 19 2HE LYS 19 3.652 11.681 -7.139
98 HE3 LYS 19 1HE LYS 19 3.515 11.372 -5.406
99 HZ1 LYS 19 3HZ LYS 19 5.082 10.017 -7.371
100 HZ2 LYS 19 1HZ LYS 19 4.111 8.938 -6.494
101 HZ3 LYS 19 2HZ LYS 19 5.191 9.964 -5.676
102 H TYR 20 H TYR 20 -2.904 11.310 -4.412
103 HA TYR 20 HA TYR 20 -4.635 9.255 -3.736
104 HB2 TYR 20 2HB TYR 20 -5.214 11.615 -3.462
105 HB3 TYR 20 1HB TYR 20 -5.272 11.820 -5.212
106 HD1 TYR 20 1HD TYR 20 -6.791 9.888 -2.398
107 HD2 TYR 20 2HD TYR 20 -7.242 11.326 -6.420
108 HE1 TYR 20 1HE TYR 20 -9.149 9.119 -2.409
109 HE2 TYR 20 2HE TYR 20 -9.599 10.557 -6.432
110 HH TYR 20 HH TYR 20 -11.311 9.845 -3.746
111 H ALA 21 H ALA 21 -3.726 10.440 -6.934
112 HA ALA 21 HA ALA 21 -5.649 8.917 -8.385
113 HB1 ALA 21 1HB ALA 21 -2.983 10.024 -9.300
114 HB2 ALA 21 2HB ALA 21 -4.518 10.892 -9.338
115 HB3 ALA 21 3HB ALA 21 -4.287 9.466 -10.348
116 H GLU 22 H GLU 22 -2.264 8.368 -7.484
117 HA GLU 22 HA GLU 22 -1.942 5.930 -8.895
118 HB2 GLU 22 2HB GLU 22 -0.525 7.072 -6.481
119 HB3 GLU 22 1HB GLU 22 -0.032 5.580 -7.282
120 HG2 GLU 22 2HG GLU 22 -0.353 8.205 -8.752
121 HG3 GLU 22 1HG GLU 22 1.180 7.676 -8.058
122 H LEU 23 H LEU 23 -2.792 6.626 -5.508
123 HA LEU 23 HA LEU 23 -2.980 3.964 -4.629
124 HB2 LEU 23 2HB LEU 23 -4.556 6.371 -3.682
125 HB3 LEU 23 1HB LEU 23 -4.345 4.863 -2.795
126 HG LEU 23 HG LEU 23 -1.973 6.482 -3.730
127 HD11 LEU 23 1HD1 LEU 23 -1.957 7.334 -1.311
128 HD12 LEU 23 2HD1 LEU 23 -3.640 6.815 -1.232
129 HD13 LEU 23 3HD1 LEU 23 -3.153 8.054 -2.388
130 HD21 LEU 23 3HD2 LEU 23 -0.995 5.321 -1.665
131 HD22 LEU 23 1HD2 LEU 23 -1.377 4.273 -3.029
132 HD23 LEU 23 2HD2 LEU 23 -2.461 4.343 -1.641
133 H ARG 24 H ARG 24 -5.470 6.142 -5.943
134 HA ARG 24 HA ARG 24 -7.573 4.217 -5.800
135 HB2 ARG 24 2HB ARG 24 -7.831 6.743 -5.942
136 HB3 ARG 24 1HB ARG 24 -7.445 6.596 -7.656
137 HG2 ARG 24 2HG ARG 24 -9.757 6.433 -7.756
138 HG3 ARG 24 1HG ARG 24 -9.341 4.729 -7.578
139 HD2 ARG 24 2HD ARG 24 -9.675 4.905 -5.136
140 HD3 ARG 24 1HD ARG 24 -10.093 6.605 -5.318
141 HE ARG 24 HE ARG 24 -11.824 4.382 -5.786
142 HH11 ARG 24 1HH2 ARG 24 -10.964 7.547 -6.890
143 HH12 ARG 24 2HH2 ARG 24 -12.531 7.899 -7.536
144 HH21 ARG 24 1HH1 ARG 24 -13.883 4.837 -6.630
145 HH22 ARG 24 2HH1 ARG 24 -14.184 6.364 -7.389
146 H ASP 25 H ASP 25 -5.327 5.239 -8.337
147 HA ASP 25 HA ASP 25 -6.489 3.735 -10.440
148 HB2 ASP 25 2HB ASP 25 -4.938 5.548 -10.904
149 HB3 ASP 25 1HB ASP 25 -3.649 4.703 -10.048
150 H THR 26 H THR 26 -3.756 3.041 -8.260
151 HA THR 26 HA THR 26 -3.007 0.567 -9.271
152 HB THR 26 HB THR 26 -3.026 1.515 -6.396
153 HG1 THR 26 1HG THR 26 -1.647 2.238 -8.518
154 HG21 THR 26 3HG2 THR 26 -1.158 -0.218 -6.214
155 HG22 THR 26 1HG2 THR 26 -1.746 -0.867 -7.745
156 HG23 THR 26 2HG2 THR 26 -2.797 -0.857 -6.330
157 H ILE 27 H ILE 27 -5.411 1.263 -6.733
158 HA ILE 27 HA ILE 27 -6.192 -1.435 -6.341
159 HB ILE 27 HB ILE 27 -7.714 1.132 -5.835
160 HG12 ILE 27 2HG1 ILE 27 -6.229 -0.626 -3.868
161 HG13 ILE 27 1HG1 ILE 27 -5.463 0.745 -4.674
162 HG21 ILE 27 1HG2 ILE 27 -8.884 -0.415 -4.138
163 HG22 ILE 27 2HG2 ILE 27 -8.214 -1.748 -5.079
164 HG23 ILE 27 3HG2 ILE 27 -9.327 -0.608 -5.834
165 HD11 ILE 27 3HD1 ILE 27 -8.018 0.941 -3.056
166 HD12 ILE 27 1HD1 ILE 27 -7.095 2.279 -3.739
167 HD13 ILE 27 2HD1 ILE 27 -6.416 1.320 -2.423
168 H ASN 28 H ASN 28 -7.102 1.007 -8.663
169 HA ASN 28 HA ASN 28 -9.329 -0.632 -9.660
170 HB2 ASN 28 2HB ASN 28 -8.390 2.172 -10.272
171 HB3 ASN 28 1HB ASN 28 -9.649 1.361 -11.203
172 HD21 ASN 28 1HD2 ASN 28 -8.843 2.025 -7.742
173 HD22 ASN 28 2HD2 ASN 28 -10.453 2.306 -7.279
174 H THR 29 H THR 29 -6.427 -1.347 -9.936
175 HA THR 29 HA THR 29 -6.524 -1.963 -12.786
176 HB THR 29 HB THR 29 -4.112 -1.202 -13.039
177 HG1 THR 29 1HG THR 29 -4.265 0.752 -11.251
178 HG21 THR 29 3HG2 THR 29 -6.110 1.001 -12.474
179 HG22 THR 29 1HG2 THR 29 -6.124 0.019 -13.938
180 HG23 THR 29 2HG2 THR 29 -4.745 1.061 -13.588
181 H SER 30 H SER 30 -4.384 -2.072 -9.930
182 HA SER 30 HA SER 30 -3.451 -4.731 -10.690
183 HB2 SER 30 2HB SER 30 -2.063 -2.771 -9.627
184 HB3 SER 30 1HB SER 30 -2.722 -3.381 -8.112
185 HG SER 30 HG SER 30 -0.931 -4.539 -9.903
186 H CYS 31 H CYS 31 -3.176 -6.227 -8.625
187 HA CYS 31 HA CYS 31 -5.429 -6.176 -6.809
188 HB2 CYS 31 2HB CYS 31 -6.510 -7.135 -8.775
189 HB3 CYS 31 1HB CYS 31 -5.223 -8.331 -8.924
190 HG CYS 31 HG CYS 31 -6.597 -8.422 -6.195
191 H ASP 32 H ASP 32 -4.700 -6.915 -4.930
192 HA ASP 32 HA ASP 32 -3.243 -9.327 -4.622
193 HB2 ASP 32 2HB ASP 32 -1.545 -7.477 -5.527
194 HB3 ASP 32 1HB ASP 32 -1.520 -7.020 -3.827
195 H ILE 33 H ILE 33 -3.216 -9.982 -2.497
196 HA ILE 33 HA ILE 33 -4.937 -8.588 -0.688
197 HB ILE 33 HB ILE 33 -3.089 -10.930 -0.164
198 HG12 ILE 33 2HG1 ILE 33 -6.050 -10.958 -0.807
199 HG13 ILE 33 1HG1 ILE 33 -4.803 -11.193 -2.031
200 HG21 ILE 33 1HG2 ILE 33 -3.757 -10.093 1.942
201 HG22 ILE 33 2HG2 ILE 33 -4.945 -11.349 1.599
202 HG23 ILE 33 3HG2 ILE 33 -5.360 -9.652 1.358
203 HD11 ILE 33 3HD1 ILE 33 -3.969 -13.160 -0.918
204 HD12 ILE 33 1HD1 ILE 33 -5.719 -13.336 -1.052
205 HD13 ILE 33 2HD1 ILE 33 -4.995 -12.864 0.487
206 H GLU 34 H GLU 34 -1.755 -8.100 -1.526
207 HA GLU 34 HA GLU 34 -0.973 -7.114 1.143
208 HB2 GLU 34 2HB GLU 34 0.760 -7.361 -1.320
209 HB3 GLU 34 1HB GLU 34 1.284 -7.129 0.348
210 HG2 GLU 34 2HG GLU 34 0.192 -9.338 0.906
211 HG3 GLU 34 1HG GLU 34 -0.056 -9.578 -0.822
212 H LEU 35 H LEU 35 -0.561 -6.064 -2.254
213 HA LEU 35 HA LEU 35 -0.014 -3.385 -1.710
214 HB2 LEU 35 2HB LEU 35 -1.258 -4.740 -4.101
215 HB3 LEU 35 1HB LEU 35 -0.957 -3.005 -4.070
216 HG LEU 35 HG LEU 35 1.165 -5.109 -3.552
217 HD11 LEU 35 1HD1 LEU 35 1.927 -4.753 -5.799
218 HD12 LEU 35 2HD1 LEU 35 0.796 -3.420 -6.037
219 HD13 LEU 35 3HD1 LEU 35 0.195 -5.073 -5.903
220 HD21 LEU 35 3HD2 LEU 35 1.094 -2.118 -3.578
221 HD22 LEU 35 1HD2 LEU 35 2.519 -2.896 -4.269
222 HD23 LEU 35 2HD2 LEU 35 2.068 -3.210 -2.594
223 H LEU 36 H LEU 36 -3.161 -4.874 -2.513
224 HA LEU 36 HA LEU 36 -4.734 -2.584 -2.361
225 HB2 LEU 36 2HB LEU 36 -5.444 -5.413 -1.548
226 HB3 LEU 36 1HB LEU 36 -6.607 -4.118 -1.823
227 HG LEU 36 HG LEU 36 -4.639 -5.150 -3.889
228 HD11 LEU 36 1HD1 LEU 36 -6.259 -6.858 -3.610
229 HD12 LEU 36 2HD1 LEU 36 -6.854 -5.911 -4.973
230 HD13 LEU 36 3HD1 LEU 36 -7.565 -5.695 -3.372
231 HD21 LEU 36 3HD2 LEU 36 -6.647 -2.925 -3.812
232 HD22 LEU 36 1HD2 LEU 36 -6.431 -3.803 -5.327
233 HD23 LEU 36 2HD2 LEU 36 -5.064 -2.978 -4.586
234 H ALA 37 H ALA 37 -3.901 -4.875 0.234
235 HA ALA 37 HA ALA 37 -5.272 -3.494 2.290
236 HB1 ALA 37 1HB ALA 37 -3.829 -4.818 3.822
237 HB2 ALA 37 2HB ALA 37 -2.884 -5.350 2.431
238 HB3 ALA 37 3HB ALA 37 -4.580 -5.813 2.574
239 H ALA 38 H ALA 38 -2.072 -3.172 0.892
240 HA ALA 38 HA ALA 38 -1.071 -1.390 2.918
241 HB1 ALA 38 1HB ALA 38 0.017 -1.591 0.118
242 HB2 ALA 38 2HB ALA 38 0.276 -2.884 1.288
243 HB3 ALA 38 3HB ALA 38 0.882 -1.261 1.620
244 H CYS 39 H CYS 39 -2.655 -1.058 -0.203
245 HA CYS 39 HA CYS 39 -2.243 1.758 -0.460
246 HB2 CYS 39 2HB CYS 39 -2.817 0.083 -2.311
247 HB3 CYS 39 1HB CYS 39 -4.480 0.187 -1.732
248 HG CYS 39 HG CYS 39 -2.950 2.423 -3.203
249 H ARG 40 H ARG 40 -5.055 -0.211 0.503
250 HA ARG 40 HA ARG 40 -6.879 1.802 1.007
251 HB2 ARG 40 2HB ARG 40 -6.440 -0.841 2.398
252 HB3 ARG 40 1HB ARG 40 -7.809 0.211 2.756
253 HG2 ARG 40 2HG ARG 40 -8.573 0.101 0.458
254 HG3 ARG 40 1HG ARG 40 -7.127 -0.790 -0.021
255 HD2 ARG 40 2HD ARG 40 -9.009 -2.334 0.262
256 HD3 ARG 40 1HD ARG 40 -7.780 -2.641 1.487
257 HE ARG 40 HE ARG 40 -9.655 -0.808 2.529
258 HH11 ARG 40 1HH2 ARG 40 -9.370 -4.103 1.507
259 HH12 ARG 40 2HH2 ARG 40 -10.581 -4.690 2.597
260 HH21 ARG 40 1HH1 ARG 40 -11.245 -1.571 3.960
261 HH22 ARG 40 2HH1 ARG 40 -11.643 -3.257 3.986
262 H GLU 41 H GLU 41 -4.182 0.712 2.993
263 HA GLU 41 HA GLU 41 -4.839 1.991 5.400
264 HB2 GLU 41 2HB GLU 41 -2.207 1.264 4.122
265 HB3 GLU 41 1HB GLU 41 -2.279 2.064 5.691
266 HG2 GLU 41 2HG GLU 41 -3.448 0.260 6.685
267 HG3 GLU 41 1HG GLU 41 -3.880 -0.432 5.124
268 H GLU 42 H GLU 42 -2.841 3.178 2.689
269 HA GLU 42 HA GLU 42 -2.478 5.777 3.798
270 HB2 GLU 42 2HB GLU 42 -2.354 5.175 0.852
271 HB3 GLU 42 1HB GLU 42 -1.397 6.323 1.787
272 HG2 GLU 42 2HG GLU 42 -1.225 3.302 1.880
273 HG3 GLU 42 1HG GLU 42 0.007 4.419 1.296
274 H PHE 43 H PHE 43 -4.766 4.396 1.479
275 HA PHE 43 HA PHE 43 -6.025 6.655 0.528
276 HB2 PHE 43 2HB PHE 43 -6.494 4.195 -0.022
277 HB3 PHE 43 1HB PHE 43 -7.563 4.204 1.380
278 HD1 PHE 43 2HD PHE 43 -6.912 5.814 -1.910
279 HD2 PHE 43 1HD PHE 43 -9.709 5.247 1.300
280 HE1 PHE 43 2HE PHE 43 -8.691 6.875 -3.274
281 HE2 PHE 43 1HE PHE 43 -11.488 6.310 -0.063
282 HZ PHE 43 HZ PHE 43 -10.980 7.123 -2.350
283 H HIS 44 H HIS 44 -6.734 4.904 3.545
284 HA HIS 44 HA HIS 44 -8.879 6.466 4.423
285 HB2 HIS 44 2HB HIS 44 -6.780 4.898 5.920
286 HB3 HIS 44 1HB HIS 44 -8.110 5.715 6.740
287 HD2 HIS 44 2HD HIS 44 -8.880 3.991 3.311
288 HE1 HIS 44 1HE HIS 44 -10.610 1.636 6.357
289 HE2 HIS 44 2HE HIS 44 -10.444 1.970 3.845
290 H ARG 45 H ARG 45 -5.432 7.082 4.516
291 HA ARG 45 HA ARG 45 -5.547 9.213 6.420
292 HB2 ARG 45 2HB ARG 45 -3.438 8.740 4.305
293 HB3 ARG 45 1HB ARG 45 -3.260 9.647 5.806
294 HG2 ARG 45 2HG ARG 45 -3.791 7.542 7.067
295 HG3 ARG 45 1HG ARG 45 -3.753 6.673 5.534
296 HD2 ARG 45 2HD ARG 45 -1.405 7.747 5.237
297 HD3 ARG 45 1HD ARG 45 -1.494 8.055 6.971
298 HE ARG 45 HE ARG 45 -2.092 5.322 6.255
299 HH11 ARG 45 1HH2 ARG 45 0.366 7.654 6.957
300 HH12 ARG 45 2HH2 ARG 45 1.526 6.478 7.482
301 HH21 ARG 45 1HH1 ARG 45 -0.578 3.775 6.940
302 HH22 ARG 45 2HH1 ARG 45 0.990 4.282 7.472
303 H ARG 46 H ARG 46 -5.489 9.074 2.870
304 HA ARG 46 HA ARG 46 -5.337 11.809 2.338
305 HB2 ARG 46 2HB ARG 46 -7.043 9.957 0.690
306 HB3 ARG 46 1HB ARG 46 -6.038 11.301 0.155
307 HG2 ARG 46 2HG ARG 46 -5.086 8.635 1.229
308 HG3 ARG 46 1HG ARG 46 -4.894 9.245 -0.411
309 HD2 ARG 46 2HD ARG 46 -3.586 11.182 0.592
310 HD3 ARG 46 1HD ARG 46 -3.591 10.291 2.111
311 HE ARG 46 HE ARG 46 -2.599 8.444 0.437
312 HH11 ARG 46 1HH2 ARG 46 -1.922 11.816 0.832
313 HH12 ARG 46 2HH2 ARG 46 -0.267 11.683 0.336
314 HH21 ARG 46 1HH1 ARG 46 -0.431 8.263 -0.215
315 HH22 ARG 46 2HH1 ARG 46 0.575 9.672 -0.258
316 H LEU 47 H LEU 47 -8.118 9.799 3.170
317 HA LEU 47 HA LEU 47 -10.204 11.530 2.582
318 HB2 LEU 47 2HB LEU 47 -9.775 9.347 4.560
319 HB3 LEU 47 1HB LEU 47 -11.137 10.425 4.859
320 HG LEU 47 HG LEU 47 -11.903 10.014 2.502
321 HD11 LEU 47 1HD1 LEU 47 -9.642 9.327 1.656
322 HD12 LEU 47 2HD1 LEU 47 -10.917 8.183 1.242
323 HD13 LEU 47 3HD1 LEU 47 -9.806 7.826 2.563
324 HD21 LEU 47 3HD2 LEU 47 -12.701 7.691 2.952
325 HD22 LEU 47 1HD2 LEU 47 -12.893 8.753 4.348
326 HD23 LEU 47 2HD2 LEU 47 -11.565 7.591 4.298
327 H LYS 48 H LYS 48 -8.164 11.423 5.485
328 HA LYS 48 HA LYS 48 -8.711 14.242 5.972
329 HB2 LYS 48 2HB LYS 48 -9.371 13.835 8.333
330 HB3 LYS 48 1HB LYS 48 -10.549 13.210 7.179
331 HG2 LYS 48 2HG LYS 48 -10.384 11.268 8.358
332 HG3 LYS 48 1HG LYS 48 -8.870 11.044 7.486
333 HD2 LYS 48 2HD LYS 48 -7.677 12.234 9.327
334 HD3 LYS 48 1HD LYS 48 -9.199 12.335 10.210
335 HE2 LYS 48 2HE LYS 48 -9.343 9.800 10.005
336 HE3 LYS 48 1HE LYS 48 -7.673 9.840 9.440
337 HZ1 LYS 48 3HZ LYS 48 -7.563 9.503 11.744
338 HZ2 LYS 48 1HZ LYS 48 -8.728 10.692 12.069
339 HZ3 LYS 48 2HZ LYS 48 -7.186 11.144 11.522
340 H VAL 49 H VAL 49 -7.041 15.254 6.971
341 HA VAL 49 HA VAL 49 -4.936 13.626 8.226
342 HB VAL 49 HB VAL 49 -3.418 15.463 6.946
343 HG11 VAL 49 1HG1 VAL 49 -4.382 12.755 6.011
344 HG12 VAL 49 2HG1 VAL 49 -2.875 13.146 6.841
345 HG13 VAL 49 3HG1 VAL 49 -3.114 13.642 5.165
346 HG21 VAL 49 3HG2 VAL 49 -5.526 16.311 5.798
347 HG22 VAL 49 1HG2 VAL 49 -5.580 14.768 4.944
348 HG23 VAL 49 2HG2 VAL 49 -4.210 15.856 4.716
349 H TYR 50 H TYR 50 -3.256 15.180 9.244
350 HA TYR 50 HA TYR 50 -4.333 17.739 10.105
351 HB2 TYR 50 2HB TYR 50 -4.085 17.100 12.534
352 HB3 TYR 50 1HB TYR 50 -5.443 16.338 11.707
353 HD1 TYR 50 1HD TYR 50 -5.092 13.986 10.727
354 HD2 TYR 50 2HD TYR 50 -2.413 15.785 13.562
355 HE1 TYR 50 1HE TYR 50 -4.180 11.749 11.286
356 HE2 TYR 50 2HE TYR 50 -1.502 13.547 14.120
357 HH TYR 50 HH TYR 50 -3.005 10.706 13.343
358 H HIS 51 H HIS 51 -2.284 18.009 8.749
359 HA HIS 51 HA HIS 51 0.224 17.373 10.025
360 HB2 HIS 51 2HB HIS 51 0.092 17.488 7.590
361 HB3 HIS 51 1HB HIS 51 -0.423 19.173 7.678
362 HD2 HIS 51 2HD HIS 51 2.811 17.149 8.864
363 HE1 HIS 51 1HE HIS 51 3.924 21.085 7.817
364 HE2 HIS 51 2HE HIS 51 4.791 18.831 8.604
Start of MODEL 7
1 H1 GLY 9 H GLY 9 11.957 -10.899 9.125
2 HA2 GLY 9 2HA GLY 9 13.411 -10.059 6.915
3 HA3 GLY 9 1HA GLY 9 13.700 -11.790 7.060
4 H THR 10 H THR 10 11.584 -9.398 5.925
5 HA THR 10 HA THR 10 9.619 -11.458 5.157
6 HB THR 10 HB THR 10 7.787 -9.922 5.618
7 HG1 THR 10 1HG THR 10 9.899 -8.226 6.432
8 HG21 THR 10 3HG2 THR 10 7.913 -9.911 8.066
9 HG22 THR 10 1HG2 THR 10 9.659 -10.153 7.988
10 HG23 THR 10 2HG2 THR 10 8.568 -11.419 7.429
11 H LYS 11 H LYS 11 7.916 -9.604 3.855
12 HA LYS 11 HA LYS 11 9.551 -8.227 1.864
13 HB2 LYS 11 2HB LYS 11 9.341 -10.612 1.094
14 HB3 LYS 11 1HB LYS 11 7.596 -10.375 1.023
15 HG2 LYS 11 2HG LYS 11 7.831 -8.622 -0.624
16 HG3 LYS 11 1HG LYS 11 9.586 -8.629 -0.449
17 HD2 LYS 11 2HD LYS 11 9.693 -10.917 -1.320
18 HD3 LYS 11 1HD LYS 11 7.934 -10.970 -1.440
19 HE2 LYS 11 2HE LYS 11 7.892 -9.347 -3.171
20 HE3 LYS 11 1HE LYS 11 9.553 -8.847 -2.852
21 HZ1 LYS 11 3HZ LYS 11 10.328 -10.435 -4.170
22 HZ2 LYS 11 1HZ LYS 11 8.736 -10.702 -4.692
23 HZ3 LYS 11 2HZ LYS 11 9.380 -11.631 -3.424
24 H LYS 12 H LYS 12 8.613 -6.340 1.457
25 HA LYS 12 HA LYS 12 5.744 -6.130 1.095
26 HB2 LYS 12 2HB LYS 12 5.803 -4.135 2.820
27 HB3 LYS 12 1HB LYS 12 5.548 -5.786 3.382
28 HG2 LYS 12 2HG LYS 12 7.265 -4.583 4.728
29 HG3 LYS 12 1HG LYS 12 7.921 -6.008 3.925
30 HD2 LYS 12 2HD LYS 12 9.011 -4.706 2.267
31 HD3 LYS 12 1HD LYS 12 8.071 -3.267 2.663
32 HE2 LYS 12 2HE LYS 12 10.010 -4.589 4.581
33 HE3 LYS 12 1HE LYS 12 10.432 -3.224 3.548
34 HZ1 LYS 12 3HZ LYS 12 8.173 -3.203 5.469
35 HZ2 LYS 12 1HZ LYS 12 8.789 -1.885 4.597
36 HZ3 LYS 12 2HZ LYS 12 9.721 -2.600 5.825
37 H TYR 13 H TYR 13 5.357 -3.491 1.077
38 HA TYR 13 HA TYR 13 7.442 -2.409 -0.732
39 HB2 TYR 13 2HB TYR 13 4.514 -1.747 -0.983
40 HB3 TYR 13 1HB TYR 13 5.797 -1.555 -2.179
41 HD1 TYR 13 1HD TYR 13 7.101 -3.853 -2.718
42 HD2 TYR 13 2HD TYR 13 3.067 -3.555 -1.269
43 HE1 TYR 13 1HE TYR 13 6.610 -6.111 -3.618
44 HE2 TYR 13 2HE TYR 13 2.577 -5.812 -2.170
45 HH TYR 13 HH TYR 13 3.336 -7.466 -3.495
46 H ASP 14 H ASP 14 8.029 -0.302 -0.439
47 HA ASP 14 HA ASP 14 7.028 0.995 2.000
48 HB2 ASP 14 2HB ASP 14 9.367 1.807 0.269
49 HB3 ASP 14 1HB ASP 14 9.011 2.345 1.909
50 H LEU 15 H LEU 15 5.310 2.259 1.682
51 HA LEU 15 HA LEU 15 4.986 3.724 -0.828
52 HB2 LEU 15 2HB LEU 15 3.116 3.882 1.524
53 HB3 LEU 15 1HB LEU 15 2.757 4.062 -0.194
54 HG LEU 15 HG LEU 15 3.532 1.500 1.231
55 HD11 LEU 15 1HD1 LEU 15 1.238 0.839 0.256
56 HD12 LEU 15 2HD1 LEU 15 0.982 2.565 0.009
57 HD13 LEU 15 3HD1 LEU 15 1.233 1.936 1.637
58 HD21 LEU 15 3HD2 LEU 15 3.054 0.497 -1.060
59 HD22 LEU 15 1HD2 LEU 15 4.540 1.438 -0.949
60 HD23 LEU 15 2HD2 LEU 15 3.107 2.138 -1.700
61 H SER 16 H SER 16 7.192 4.515 0.738
62 HA SER 16 HA SER 16 7.055 6.498 2.557
63 HB2 SER 16 2HB SER 16 8.698 6.825 0.046
64 HB3 SER 16 1HB SER 16 9.065 7.424 1.660
65 HG SER 16 HG SER 16 8.799 4.965 2.109
66 H LYS 17 H LYS 17 6.067 6.754 -0.808
67 HA LYS 17 HA LYS 17 4.454 9.065 -0.224
68 HB2 LYS 17 2HB LYS 17 5.545 10.586 -1.813
69 HB3 LYS 17 1HB LYS 17 6.644 10.149 -0.505
70 HG2 LYS 17 2HG LYS 17 8.108 9.620 -2.166
71 HG3 LYS 17 1HG LYS 17 7.145 8.155 -2.345
72 HD2 LYS 17 2HD LYS 17 5.662 9.521 -3.942
73 HD3 LYS 17 1HD LYS 17 6.959 10.716 -3.941
74 HE2 LYS 17 2HE LYS 17 7.332 7.791 -4.646
75 HE3 LYS 17 1HE LYS 17 7.140 9.085 -5.829
76 HZ1 LYS 17 3HZ LYS 17 9.073 10.153 -4.492
77 HZ2 LYS 17 1HZ LYS 17 9.406 8.960 -5.650
78 HZ3 LYS 17 2HZ LYS 17 9.377 8.555 -4.001
79 H TRP 18 H TRP 18 2.706 9.004 -1.486
80 HA TRP 18 HA TRP 18 2.877 7.789 -4.161
81 HB2 TRP 18 2HB TRP 18 1.207 6.844 -1.859
82 HB3 TRP 18 1HB TRP 18 0.540 6.743 -3.487
83 HD1 TRP 18 HD TRP 18 3.785 5.731 -1.638
84 HE1 TRP 18 1HE TRP 18 4.630 3.521 -2.657
85 HE3 TRP 18 3HE TRP 18 0.315 5.077 -5.323
86 HZ2 TRP 18 2HZ TRP 18 3.925 1.710 -4.756
87 HZ3 TRP 18 3HZ TRP 18 0.423 3.102 -6.816
88 HH2 TRP 18 HH TRP 18 2.222 1.418 -6.537
89 H LYS 19 H LYS 19 0.788 8.163 -5.379
90 HA LYS 19 HA LYS 19 -0.179 10.895 -4.787
91 HB2 LYS 19 2HB LYS 19 -0.391 9.461 -7.432
92 HB3 LYS 19 1HB LYS 19 -0.523 11.190 -7.113
93 HG2 LYS 19 2HG LYS 19 1.982 9.512 -6.781
94 HG3 LYS 19 1HG LYS 19 1.677 10.668 -8.078
95 HD2 LYS 19 2HD LYS 19 1.325 12.403 -6.196
96 HD3 LYS 19 1HD LYS 19 2.103 11.221 -5.142
97 HE2 LYS 19 2HE LYS 19 3.787 12.765 -6.001
98 HE3 LYS 19 1HE LYS 19 4.051 11.165 -6.696
99 HZ1 LYS 19 3HZ LYS 19 4.115 13.104 -8.284
100 HZ2 LYS 19 1HZ LYS 19 2.439 13.241 -8.058
101 HZ3 LYS 19 2HZ LYS 19 3.092 11.818 -8.718
102 H TYR 20 H TYR 20 -2.340 11.341 -4.688
103 HA TYR 20 HA TYR 20 -4.136 9.426 -3.796
104 HB2 TYR 20 2HB TYR 20 -4.507 11.830 -3.511
105 HB3 TYR 20 1HB TYR 20 -4.741 12.013 -5.250
106 HD1 TYR 20 1HD TYR 20 -6.746 11.140 -6.358
107 HD2 TYR 20 2HD TYR 20 -6.193 10.750 -2.117
108 HE1 TYR 20 1HE TYR 20 -9.141 10.551 -6.099
109 HE2 TYR 20 2HE TYR 20 -8.588 10.162 -1.858
110 HH TYR 20 HH TYR 20 -10.563 9.314 -4.466
111 H ALA 21 H ALA 21 -3.302 10.353 -7.064
112 HA ALA 21 HA ALA 21 -5.516 8.976 -8.295
113 HB1 ALA 21 1HB ALA 21 -4.292 9.421 -10.401
114 HB2 ALA 21 2HB ALA 21 -2.928 10.030 -9.463
115 HB3 ALA 21 3HB ALA 21 -4.475 10.877 -9.423
116 H GLU 22 H GLU 22 -2.077 8.314 -7.731
117 HA GLU 22 HA GLU 22 -1.965 5.863 -9.138
118 HB2 GLU 22 2HB GLU 22 -0.314 7.013 -6.889
119 HB3 GLU 22 1HB GLU 22 0.037 5.443 -7.613
120 HG2 GLU 22 2HG GLU 22 -0.248 7.972 -9.247
121 HG3 GLU 22 1HG GLU 22 1.300 7.410 -8.616
122 H LEU 23 H LEU 23 -2.554 6.608 -5.710
123 HA LEU 23 HA LEU 23 -2.744 3.982 -4.755
124 HB2 LEU 23 2HB LEU 23 -4.226 6.455 -3.833
125 HB3 LEU 23 1HB LEU 23 -4.090 4.955 -2.917
126 HG LEU 23 HG LEU 23 -1.717 6.587 -3.859
127 HD11 LEU 23 1HD1 LEU 23 -3.143 6.509 -1.188
128 HD12 LEU 23 2HD1 LEU 23 -2.936 7.907 -2.242
129 HD13 LEU 23 3HD1 LEU 23 -1.540 7.206 -1.421
130 HD21 LEU 23 3HD2 LEU 23 -2.086 4.103 -2.193
131 HD22 LEU 23 1HD2 LEU 23 -0.703 5.158 -1.897
132 HD23 LEU 23 2HD2 LEU 23 -0.919 4.414 -3.479
133 H ARG 24 H ARG 24 -5.300 6.143 -5.971
134 HA ARG 24 HA ARG 24 -7.384 4.212 -5.710
135 HB2 ARG 24 2HB ARG 24 -7.656 6.736 -5.846
136 HB3 ARG 24 1HB ARG 24 -7.360 6.587 -7.577
137 HG2 ARG 24 2HG ARG 24 -9.675 6.424 -7.551
138 HG3 ARG 24 1HG ARG 24 -9.245 4.721 -7.407
139 HD2 ARG 24 2HD ARG 24 -9.472 4.854 -4.963
140 HD3 ARG 24 1HD ARG 24 -9.850 6.570 -5.081
141 HE ARG 24 HE ARG 24 -11.732 5.414 -6.673
142 HH11 ARG 24 1HH2 ARG 24 -10.603 4.867 -3.447
143 HH12 ARG 24 2HH2 ARG 24 -12.129 4.295 -2.863
144 HH21 ARG 24 1HH1 ARG 24 -13.737 4.665 -5.914
145 HH22 ARG 24 2HH1 ARG 24 -13.904 4.180 -4.259
146 H ASP 25 H ASP 25 -5.111 5.045 -8.249
147 HA ASP 25 HA ASP 25 -6.438 3.615 -10.341
148 HB2 ASP 25 2HB ASP 25 -4.810 5.412 -10.789
149 HB3 ASP 25 1HB ASP 25 -3.531 4.417 -10.095
150 H THR 26 H THR 26 -3.627 2.864 -8.277
151 HA THR 26 HA THR 26 -3.009 0.352 -9.287
152 HB THR 26 HB THR 26 -2.895 1.125 -6.365
153 HG1 THR 26 1HG THR 26 -1.790 2.706 -7.290
154 HG21 THR 26 3HG2 THR 26 -2.412 -1.236 -6.858
155 HG22 THR 26 1HG2 THR 26 -0.940 -0.391 -6.375
156 HG23 THR 26 2HG2 THR 26 -1.234 -0.748 -8.077
157 H ILE 27 H ILE 27 -5.530 1.302 -7.019
158 HA ILE 27 HA ILE 27 -6.285 -1.397 -6.362
159 HB ILE 27 HB ILE 27 -7.729 1.234 -5.967
160 HG12 ILE 27 2HG1 ILE 27 -6.256 -0.484 -3.954
161 HG13 ILE 27 1HG1 ILE 27 -5.493 0.860 -4.802
162 HG21 ILE 27 1HG2 ILE 27 -9.394 -0.455 -5.874
163 HG22 ILE 27 2HG2 ILE 27 -8.931 -0.196 -4.191
164 HG23 ILE 27 3HG2 ILE 27 -8.310 -1.592 -5.072
165 HD11 ILE 27 3HD1 ILE 27 -6.968 2.451 -3.827
166 HD12 ILE 27 1HD1 ILE 27 -6.502 1.388 -2.501
167 HD13 ILE 27 2HD1 ILE 27 -8.077 1.197 -3.272
168 H ASN 28 H ASN 28 -7.341 1.058 -8.661
169 HA ASN 28 HA ASN 28 -9.541 -0.627 -9.600
170 HB2 ASN 28 2HB ASN 28 -8.590 2.130 -10.398
171 HB3 ASN 28 1HB ASN 28 -9.947 1.301 -11.156
172 HD21 ASN 28 1HD2 ASN 28 -8.828 2.002 -7.786
173 HD22 ASN 28 2HD2 ASN 28 -10.372 2.421 -7.216
174 H THR 29 H THR 29 -6.606 -1.303 -9.922
175 HA THR 29 HA THR 29 -6.782 -2.029 -12.751
176 HB THR 29 HB THR 29 -4.421 -1.275 -13.131
177 HG1 THR 29 1HG THR 29 -4.765 -0.586 -10.508
178 HG21 THR 29 3HG2 THR 29 -6.461 0.035 -13.828
179 HG22 THR 29 1HG2 THR 29 -5.018 1.017 -13.574
180 HG23 THR 29 2HG2 THR 29 -6.285 0.977 -12.346
181 H SER 30 H SER 30 -4.540 -2.069 -9.969
182 HA SER 30 HA SER 30 -3.658 -4.756 -10.659
183 HB2 SER 30 2HB SER 30 -2.254 -2.780 -9.642
184 HB3 SER 30 1HB SER 30 -2.906 -3.363 -8.113
185 HG SER 30 HG SER 30 -1.886 -5.240 -9.910
186 H CYS 31 H CYS 31 -3.396 -6.237 -8.599
187 HA CYS 31 HA CYS 31 -5.617 -6.123 -6.746
188 HB2 CYS 31 2HB CYS 31 -6.537 -7.112 -8.915
189 HB3 CYS 31 1HB CYS 31 -5.494 -8.499 -8.602
190 HG CYS 31 HG CYS 31 -8.011 -7.744 -6.981
191 H ASP 32 H ASP 32 -4.870 -6.855 -4.870
192 HA ASP 32 HA ASP 32 -3.469 -9.298 -4.552
193 HB2 ASP 32 2HB ASP 32 -1.735 -7.540 -5.535
194 HB3 ASP 32 1HB ASP 32 -1.672 -7.010 -3.857
195 H ILE 33 H ILE 33 -3.110 -9.814 -2.346
196 HA ILE 33 HA ILE 33 -4.876 -8.424 -0.541
197 HB ILE 33 HB ILE 33 -2.960 -10.710 -0.015
198 HG12 ILE 33 2HG1 ILE 33 -5.948 -10.811 -0.506
199 HG13 ILE 33 1HG1 ILE 33 -4.760 -11.068 -1.785
200 HG21 ILE 33 1HG2 ILE 33 -4.718 -11.094 1.853
201 HG22 ILE 33 2HG2 ILE 33 -5.178 -9.415 1.570
202 HG23 ILE 33 3HG2 ILE 33 -3.537 -9.805 2.090
203 HD11 ILE 33 3HD1 ILE 33 -5.632 -13.172 -0.611
204 HD12 ILE 33 1HD1 ILE 33 -4.708 -12.641 0.795
205 HD13 ILE 33 2HD1 ILE 33 -3.880 -13.007 -0.719
206 H GLU 34 H GLU 34 -1.735 -7.907 -1.519
207 HA GLU 34 HA GLU 34 -0.876 -6.801 1.078
208 HB2 GLU 34 2HB GLU 34 0.746 -7.165 -1.449
209 HB3 GLU 34 1HB GLU 34 1.355 -6.765 0.157
210 HG2 GLU 34 2HG GLU 34 0.450 -8.937 0.994
211 HG3 GLU 34 1HG GLU 34 -0.015 -9.342 -0.656
212 H LEU 35 H LEU 35 -0.634 -5.888 -2.372
213 HA LEU 35 HA LEU 35 -0.102 -3.186 -1.984
214 HB2 LEU 35 2HB LEU 35 -1.358 -4.742 -4.220
215 HB3 LEU 35 1HB LEU 35 -1.315 -2.984 -4.305
216 HG LEU 35 HG LEU 35 1.132 -4.692 -3.780
217 HD11 LEU 35 1HD1 LEU 35 1.671 -4.027 -6.200
218 HD12 LEU 35 2HD1 LEU 35 -0.038 -3.616 -6.351
219 HD13 LEU 35 3HD1 LEU 35 0.441 -5.272 -5.982
220 HD21 LEU 35 3HD2 LEU 35 2.060 -2.387 -4.821
221 HD22 LEU 35 1HD2 LEU 35 1.780 -2.584 -3.092
222 HD23 LEU 35 2HD2 LEU 35 0.580 -1.769 -4.093
223 H LEU 36 H LEU 36 -3.276 -4.725 -2.550
224 HA LEU 36 HA LEU 36 -4.839 -2.417 -2.353
225 HB2 LEU 36 2HB LEU 36 -5.547 -5.234 -1.496
226 HB3 LEU 36 1HB LEU 36 -6.698 -3.933 -1.795
227 HG LEU 36 HG LEU 36 -4.768 -5.067 -3.842
228 HD11 LEU 36 1HD1 LEU 36 -7.006 -5.774 -4.903
229 HD12 LEU 36 2HD1 LEU 36 -7.714 -5.477 -3.317
230 HD13 LEU 36 3HD1 LEU 36 -6.458 -6.700 -3.507
231 HD21 LEU 36 3HD2 LEU 36 -6.484 -3.692 -5.324
232 HD22 LEU 36 1HD2 LEU 36 -5.116 -2.881 -4.565
233 HD23 LEU 36 2HD2 LEU 36 -6.716 -2.781 -3.831
234 H ALA 37 H ALA 37 -3.910 -4.726 0.198
235 HA ALA 37 HA ALA 37 -5.203 -3.366 2.314
236 HB1 ALA 37 1HB ALA 37 -3.889 -4.744 3.784
237 HB2 ALA 37 2HB ALA 37 -2.701 -5.053 2.518
238 HB3 ALA 37 3HB ALA 37 -4.326 -5.727 2.387
239 H ALA 38 H ALA 38 -2.034 -3.038 0.829
240 HA ALA 38 HA ALA 38 -1.015 -1.205 2.797
241 HB1 ALA 38 1HB ALA 38 0.922 -1.113 1.480
242 HB2 ALA 38 2HB ALA 38 0.042 -1.459 -0.009
243 HB3 ALA 38 3HB ALA 38 0.309 -2.738 1.176
244 H CYS 39 H CYS 39 -2.742 -0.958 -0.237
245 HA CYS 39 HA CYS 39 -2.296 1.839 -0.635
246 HB2 CYS 39 2HB CYS 39 -3.004 0.124 -2.389
247 HB3 CYS 39 1HB CYS 39 -4.624 0.244 -1.703
248 HG CYS 39 HG CYS 39 -4.767 2.699 -2.447
249 H ARG 40 H ARG 40 -5.098 -0.029 0.542
250 HA ARG 40 HA ARG 40 -6.828 2.055 1.098
251 HB2 ARG 40 2HB ARG 40 -6.455 -0.707 2.105
252 HB3 ARG 40 1HB ARG 40 -7.375 0.361 3.161
253 HG2 ARG 40 2HG ARG 40 -8.929 -0.732 1.661
254 HG3 ARG 40 1HG ARG 40 -8.818 0.961 1.186
255 HD2 ARG 40 2HD ARG 40 -6.997 0.197 -0.468
256 HD3 ARG 40 1HD ARG 40 -7.562 -1.441 -0.146
257 HE ARG 40 HE ARG 40 -8.874 0.515 -1.773
258 HH11 ARG 40 1HH2 ARG 40 -9.367 -2.091 0.451
259 HH12 ARG 40 2HH2 ARG 40 -10.913 -2.529 -0.191
260 HH21 ARG 40 1HH1 ARG 40 -10.903 -0.056 -2.619
261 HH22 ARG 40 2HH1 ARG 40 -11.784 -1.376 -1.929
262 H GLU 41 H GLU 41 -4.029 0.969 2.921
263 HA GLU 41 HA GLU 41 -4.513 2.264 5.356
264 HB2 GLU 41 2HB GLU 41 -1.983 1.529 3.895
265 HB3 GLU 41 1HB GLU 41 -1.934 2.361 5.450
266 HG2 GLU 41 2HG GLU 41 -3.527 -0.171 5.017
267 HG3 GLU 41 1HG GLU 41 -1.845 -0.192 5.544
268 H GLU 42 H GLU 42 -2.706 3.457 2.513
269 HA GLU 42 HA GLU 42 -2.382 6.089 3.615
270 HB2 GLU 42 2HB GLU 42 -1.935 4.906 0.876
271 HB3 GLU 42 1HB GLU 42 -1.695 6.621 1.207
272 HG2 GLU 42 2HG GLU 42 -0.390 4.465 2.870
273 HG3 GLU 42 1HG GLU 42 0.372 5.122 1.424
274 H PHE 43 H PHE 43 -4.418 4.711 1.039
275 HA PHE 43 HA PHE 43 -5.749 6.971 0.197
276 HB2 PHE 43 2HB PHE 43 -5.979 4.589 -0.675
277 HB3 PHE 43 1HB PHE 43 -7.136 4.326 0.630
278 HD1 PHE 43 2HD PHE 43 -6.403 6.503 -2.311
279 HD2 PHE 43 1HD PHE 43 -9.375 5.079 0.445
280 HE1 PHE 43 2HE PHE 43 -8.178 7.581 -3.668
281 HE2 PHE 43 1HE PHE 43 -11.149 6.157 -0.912
282 HZ PHE 43 HZ PHE 43 -10.551 7.407 -2.968
283 H HIS 44 H HIS 44 -6.228 5.127 3.146
284 HA HIS 44 HA HIS 44 -8.698 6.367 3.884
285 HB2 HIS 44 2HB HIS 44 -6.633 4.828 5.465
286 HB3 HIS 44 1HB HIS 44 -8.145 5.417 6.157
287 HD2 HIS 44 2HD HIS 44 -8.778 4.276 2.579
288 HE1 HIS 44 1HE HIS 44 -9.691 0.951 5.015
289 HE2 HIS 44 2HE HIS 44 -9.877 1.910 2.670
290 H ARG 45 H ARG 45 -5.293 7.050 4.521
291 HA ARG 45 HA ARG 45 -5.655 8.979 6.549
292 HB2 ARG 45 2HB ARG 45 -3.459 8.654 4.494
293 HB3 ARG 45 1HB ARG 45 -3.387 9.788 5.843
294 HG2 ARG 45 2HG ARG 45 -3.864 7.768 7.358
295 HG3 ARG 45 1HG ARG 45 -3.496 6.771 5.951
296 HD2 ARG 45 2HD ARG 45 -1.422 6.940 7.041
297 HD3 ARG 45 1HD ARG 45 -1.320 8.175 5.791
298 HE ARG 45 HE ARG 45 -2.284 9.587 7.874
299 HH11 ARG 45 1HH2 ARG 45 0.283 7.283 7.581
300 HH12 ARG 45 2HH2 ARG 45 1.244 7.989 8.837
301 HH21 ARG 45 1HH1 ARG 45 -1.028 10.517 9.522
302 HH22 ARG 45 2HH1 ARG 45 0.501 9.820 9.937
303 H ARG 46 H ARG 46 -6.098 9.116 3.114
304 HA ARG 46 HA ARG 46 -5.893 11.945 2.809
305 HB2 ARG 46 2HB ARG 46 -7.596 10.172 1.068
306 HB3 ARG 46 1HB ARG 46 -6.677 11.610 0.617
307 HG2 ARG 46 2HG ARG 46 -5.543 8.917 1.426
308 HG3 ARG 46 1HG ARG 46 -5.477 9.651 -0.177
309 HD2 ARG 46 2HD ARG 46 -4.235 11.596 0.925
310 HD3 ARG 46 1HD ARG 46 -4.077 10.562 2.343
311 HE ARG 46 HE ARG 46 -2.530 9.254 1.170
312 HH11 ARG 46 1HH2 ARG 46 -4.130 11.528 -0.890
313 HH12 ARG 46 2HH2 ARG 46 -3.058 11.279 -2.227
314 HH21 ARG 46 1HH1 ARG 46 -1.121 8.923 -0.580
315 HH22 ARG 46 2HH1 ARG 46 -1.355 9.804 -2.053
316 H LEU 47 H LEU 47 -8.539 9.734 3.565
317 HA LEU 47 HA LEU 47 -10.599 11.721 3.390
318 HB2 LEU 47 2HB LEU 47 -10.435 8.930 4.506
319 HB3 LEU 47 1HB LEU 47 -11.858 9.930 4.798
320 HG LEU 47 HG LEU 47 -12.250 10.182 2.426
321 HD11 LEU 47 1HD1 LEU 47 -10.694 8.877 0.842
322 HD12 LEU 47 2HD1 LEU 47 -9.557 8.832 2.189
323 HD13 LEU 47 3HD1 LEU 47 -10.064 10.380 1.515
324 HD21 LEU 47 3HD2 LEU 47 -11.523 7.292 3.004
325 HD22 LEU 47 1HD2 LEU 47 -12.682 7.858 1.802
326 HD23 LEU 47 2HD2 LEU 47 -13.018 8.070 3.519
327 H LYS 48 H LYS 48 -8.636 10.361 6.000
328 HA LYS 48 HA LYS 48 -9.860 11.353 8.245
329 HB2 LYS 48 2HB LYS 48 -7.717 9.993 8.112
330 HB3 LYS 48 1HB LYS 48 -6.874 11.514 7.815
331 HG2 LYS 48 2HG LYS 48 -7.815 12.418 9.935
332 HG3 LYS 48 1HG LYS 48 -8.566 10.852 10.242
333 HD2 LYS 48 2HD LYS 48 -6.219 9.850 10.015
334 HD3 LYS 48 1HD LYS 48 -5.617 11.506 10.109
335 HE2 LYS 48 2HE LYS 48 -7.211 10.000 12.195
336 HE3 LYS 48 1HE LYS 48 -5.578 10.650 12.348
337 HZ1 LYS 48 3HZ LYS 48 -6.482 12.504 13.114
338 HZ2 LYS 48 1HZ LYS 48 -8.052 11.938 12.807
339 HZ3 LYS 48 2HZ LYS 48 -7.194 12.763 11.594
340 H VAL 49 H VAL 49 -7.274 13.074 6.478
341 HA VAL 49 HA VAL 49 -8.437 15.627 7.432
342 HB VAL 49 HB VAL 49 -6.175 15.126 8.328
343 HG11 VAL 49 1HG1 VAL 49 -5.493 13.818 6.251
344 HG12 VAL 49 2HG1 VAL 49 -4.280 14.937 6.874
345 HG13 VAL 49 3HG1 VAL 49 -5.240 15.374 5.460
346 HG21 VAL 49 3HG2 VAL 49 -5.278 17.292 7.883
347 HG22 VAL 49 1HG2 VAL 49 -7.025 17.476 7.727
348 HG23 VAL 49 2HG2 VAL 49 -6.019 17.352 6.284
349 H TYR 50 H TYR 50 -8.171 17.462 5.964
350 HA TYR 50 HA TYR 50 -7.937 16.704 3.118
351 HB2 TYR 50 2HB TYR 50 -9.862 18.321 2.703
352 HB3 TYR 50 1HB TYR 50 -10.291 16.781 3.451
353 HD1 TYR 50 1HD TYR 50 -10.706 16.657 5.914
354 HD2 TYR 50 2HD TYR 50 -10.108 20.394 3.884
355 HE1 TYR 50 1HE TYR 50 -11.663 17.866 7.858
356 HE2 TYR 50 2HE TYR 50 -11.065 21.604 5.826
357 HH TYR 50 HH TYR 50 -12.908 20.555 7.915
358 H HIS 51 H HIS 51 -6.089 17.746 2.613
359 HA HIS 51 HA HIS 51 -5.147 20.137 3.730
360 HB2 HIS 51 2HB HIS 51 -3.829 18.492 2.338
361 HB3 HIS 51 1HB HIS 51 -4.605 19.183 0.912
362 HD2 HIS 51 2HD HIS 51 -2.506 20.719 3.950
363 HE1 HIS 51 1HE HIS 51 -1.634 22.850 0.412
364 HE2 HIS 51 2HE HIS 51 -1.099 22.643 2.886
Start of MODEL 8
1 H1 GLY 9 H GLY 9 8.128 -12.031 6.589
2 HA2 GLY 9 2HA GLY 9 5.876 -11.464 4.813
3 HA3 GLY 9 1HA GLY 9 7.086 -10.312 5.369
4 H THR 10 H THR 10 5.979 -11.676 2.671
5 HA THR 10 HA THR 10 8.526 -12.320 1.402
6 HB THR 10 HB THR 10 7.010 -12.618 -0.634
7 HG1 THR 10 1HG THR 10 4.756 -12.986 0.345
8 HG21 THR 10 3HG2 THR 10 6.157 -14.762 0.191
9 HG22 THR 10 1HG2 THR 10 6.390 -14.231 1.856
10 HG23 THR 10 2HG2 THR 10 7.786 -14.480 0.808
11 H LYS 11 H LYS 11 9.700 -10.447 1.243
12 HA LYS 11 HA LYS 11 10.224 -8.264 0.665
13 HB2 LYS 11 2HB LYS 11 10.247 -9.787 -1.453
14 HB3 LYS 11 1HB LYS 11 8.807 -8.879 -1.913
15 HG2 LYS 11 2HG LYS 11 10.448 -7.547 -2.866
16 HG3 LYS 11 1HG LYS 11 10.324 -6.791 -1.280
17 HD2 LYS 11 2HD LYS 11 12.174 -8.439 -0.553
18 HD3 LYS 11 1HD LYS 11 12.423 -8.721 -2.276
19 HE2 LYS 11 2HE LYS 11 12.689 -6.104 -0.778
20 HE3 LYS 11 1HE LYS 11 13.948 -6.980 -1.649
21 HZ1 LYS 11 3HZ LYS 11 11.926 -6.595 -3.470
22 HZ2 LYS 11 1HZ LYS 11 13.410 -5.774 -3.411
23 HZ3 LYS 11 2HZ LYS 11 12.047 -5.118 -2.638
24 H LYS 12 H LYS 12 9.010 -6.907 1.943
25 HA LYS 12 HA LYS 12 6.247 -6.337 1.422
26 HB2 LYS 12 2HB LYS 12 8.090 -4.573 3.024
27 HB3 LYS 12 1HB LYS 12 6.364 -4.852 3.243
28 HG2 LYS 12 2HG LYS 12 6.991 -6.342 4.842
29 HG3 LYS 12 1HG LYS 12 7.393 -7.405 3.495
30 HD2 LYS 12 2HD LYS 12 9.702 -6.416 3.482
31 HD3 LYS 12 1HD LYS 12 9.274 -5.514 4.936
32 HE2 LYS 12 2HE LYS 12 9.025 -8.523 4.754
33 HE3 LYS 12 1HE LYS 12 10.484 -7.720 5.334
34 HZ1 LYS 12 3HZ LYS 12 7.888 -7.991 6.599
35 HZ2 LYS 12 1HZ LYS 12 8.617 -6.469 6.759
36 HZ3 LYS 12 2HZ LYS 12 9.431 -7.859 7.298
37 H TYR 13 H TYR 13 6.348 -3.494 1.794
38 HA TYR 13 HA TYR 13 7.685 -2.475 -0.612
39 HB2 TYR 13 2HB TYR 13 4.741 -1.984 -0.144
40 HB3 TYR 13 1HB TYR 13 5.697 -1.571 -1.568
41 HD1 TYR 13 2HD TYR 13 6.734 -3.472 -2.930
42 HD2 TYR 13 1HD TYR 13 3.703 -4.103 0.046
43 HE1 TYR 13 2HE TYR 13 6.228 -5.690 -3.916
44 HE2 TYR 13 1HE TYR 13 3.194 -6.321 -0.940
45 HH TYR 13 HH TYR 13 3.478 -7.378 -3.325
46 H ASP 14 H ASP 14 7.374 -0.042 -0.759
47 HA ASP 14 HA ASP 14 7.119 1.177 1.924
48 HB2 ASP 14 2HB ASP 14 9.530 0.805 1.203
49 HB3 ASP 14 1HB ASP 14 9.231 1.979 -0.078
50 H LEU 15 H LEU 15 5.381 2.441 1.760
51 HA LEU 15 HA LEU 15 4.885 3.920 -0.739
52 HB2 LEU 15 2HB LEU 15 3.016 3.853 1.616
53 HB3 LEU 15 1HB LEU 15 2.642 4.077 -0.092
54 HG LEU 15 HG LEU 15 3.610 1.508 1.200
55 HD11 LEU 15 1HD1 LEU 15 1.320 0.742 0.332
56 HD12 LEU 15 2HD1 LEU 15 0.944 2.453 0.130
57 HD13 LEU 15 3HD1 LEU 15 1.308 1.813 1.733
58 HD21 LEU 15 3HD2 LEU 15 4.502 1.659 -1.047
59 HD22 LEU 15 1HD2 LEU 15 2.952 2.220 -1.674
60 HD23 LEU 15 2HD2 LEU 15 3.121 0.564 -1.092
61 H SER 16 H SER 16 7.044 4.766 0.877
62 HA SER 16 HA SER 16 6.754 6.650 2.790
63 HB2 SER 16 2HB SER 16 8.460 6.952 0.308
64 HB3 SER 16 1HB SER 16 8.672 7.850 1.810
65 HG SER 16 HG SER 16 8.887 5.751 2.834
66 H LYS 17 H LYS 17 5.906 7.039 -0.612
67 HA LYS 17 HA LYS 17 4.137 9.232 0.045
68 HB2 LYS 17 2HB LYS 17 5.211 10.722 -1.724
69 HB3 LYS 17 1HB LYS 17 6.072 10.589 -0.193
70 HG2 LYS 17 2HG LYS 17 6.851 8.499 -2.103
71 HG3 LYS 17 1HG LYS 17 7.167 10.123 -2.711
72 HD2 LYS 17 2HD LYS 17 8.516 10.675 -0.810
73 HD3 LYS 17 1HD LYS 17 8.002 9.226 0.056
74 HE2 LYS 17 2HE LYS 17 10.211 8.804 -0.827
75 HE3 LYS 17 1HE LYS 17 9.068 7.853 -1.775
76 HZ1 LYS 17 3HZ LYS 17 10.197 8.835 -3.454
77 HZ2 LYS 17 1HZ LYS 17 10.623 10.199 -2.541
78 HZ3 LYS 17 2HZ LYS 17 9.059 10.068 -3.191
79 H TRP 18 H TRP 18 2.400 9.130 -1.229
80 HA TRP 18 HA TRP 18 2.640 7.956 -3.922
81 HB2 TRP 18 2HB TRP 18 0.973 6.964 -1.640
82 HB3 TRP 18 1HB TRP 18 0.302 6.872 -3.268
83 HD1 TRP 18 HD TRP 18 3.607 5.915 -1.480
84 HE1 TRP 18 1HE TRP 18 4.463 3.715 -2.512
85 HE3 TRP 18 3HE TRP 18 0.041 5.173 -5.059
86 HZ2 TRP 18 2HZ TRP 18 3.731 1.879 -4.580
87 HZ3 TRP 18 3HZ TRP 18 0.143 3.193 -6.542
88 HH2 TRP 18 HH TRP 18 1.981 1.544 -6.309
89 H LYS 19 H LYS 19 0.572 8.306 -5.179
90 HA LYS 19 HA LYS 19 -0.519 10.983 -4.536
91 HB2 LYS 19 2HB LYS 19 -0.194 9.598 -7.209
92 HB3 LYS 19 1HB LYS 19 -0.950 11.171 -6.972
93 HG2 LYS 19 2HG LYS 19 1.188 11.898 -7.421
94 HG3 LYS 19 1HG LYS 19 1.367 11.645 -5.686
95 HD2 LYS 19 2HD LYS 19 2.216 9.349 -6.135
96 HD3 LYS 19 1HD LYS 19 2.097 9.665 -7.865
97 HE2 LYS 19 2HE LYS 19 3.910 10.997 -5.848
98 HE3 LYS 19 1HE LYS 19 4.365 10.124 -7.312
99 HZ1 LYS 19 3HZ LYS 19 4.541 12.437 -7.752
100 HZ2 LYS 19 1HZ LYS 19 2.990 12.747 -7.138
101 HZ3 LYS 19 2HZ LYS 19 3.170 11.873 -8.583
102 H TYR 20 H TYR 20 -2.715 11.343 -4.654
103 HA TYR 20 HA TYR 20 -4.470 9.331 -3.911
104 HB2 TYR 20 2HB TYR 20 -5.014 11.694 -3.645
105 HB3 TYR 20 1HB TYR 20 -5.081 11.899 -5.394
106 HD1 TYR 20 2HD TYR 20 -6.680 10.202 -2.501
107 HD2 TYR 20 1HD TYR 20 -7.006 11.244 -6.655
108 HE1 TYR 20 2HE TYR 20 -9.053 9.482 -2.496
109 HE2 TYR 20 1HE TYR 20 -9.378 10.525 -6.649
110 HH TYR 20 HH TYR 20 -11.229 10.313 -4.330
111 H ALA 21 H ALA 21 -3.571 10.433 -7.135
112 HA ALA 21 HA ALA 21 -5.563 8.944 -8.537
113 HB1 ALA 21 1HB ALA 21 -4.339 9.511 -10.524
114 HB2 ALA 21 2HB ALA 21 -2.878 9.849 -9.594
115 HB3 ALA 21 3HB ALA 21 -4.277 10.912 -9.454
116 H GLU 22 H GLU 22 -2.153 8.343 -7.739
117 HA GLU 22 HA GLU 22 -1.923 5.870 -9.088
118 HB2 GLU 22 2HB GLU 22 -0.433 7.060 -6.746
119 HB3 GLU 22 1HB GLU 22 -0.005 5.504 -7.456
120 HG2 GLU 22 2HG GLU 22 -0.261 8.024 -9.107
121 HG3 GLU 22 1HG GLU 22 1.259 7.527 -8.367
122 H LEU 23 H LEU 23 -2.762 6.665 -5.727
123 HA LEU 23 HA LEU 23 -2.974 4.016 -4.782
124 HB2 LEU 23 2HB LEU 23 -4.456 6.490 -3.861
125 HB3 LEU 23 1HB LEU 23 -4.298 4.989 -2.949
126 HG LEU 23 HG LEU 23 -1.883 6.521 -3.926
127 HD11 LEU 23 1HD1 LEU 23 -1.798 7.355 -1.505
128 HD12 LEU 23 2HD1 LEU 23 -3.492 6.878 -1.392
129 HD13 LEU 23 3HD1 LEU 23 -3.001 8.114 -2.551
130 HD21 LEU 23 3HD2 LEU 23 -0.927 5.314 -1.859
131 HD22 LEU 23 1HD2 LEU 23 -1.308 4.310 -3.256
132 HD23 LEU 23 2HD2 LEU 23 -2.407 4.356 -1.878
133 H ARG 24 H ARG 24 -5.451 6.236 -6.057
134 HA ARG 24 HA ARG 24 -7.582 4.350 -5.847
135 HB2 ARG 24 2HB ARG 24 -7.791 6.883 -5.995
136 HB3 ARG 24 1HB ARG 24 -7.469 6.716 -7.720
137 HG2 ARG 24 2HG ARG 24 -9.788 6.603 -7.730
138 HG3 ARG 24 1HG ARG 24 -9.396 4.890 -7.569
139 HD2 ARG 24 2HD ARG 24 -9.648 5.056 -5.124
140 HD3 ARG 24 1HD ARG 24 -10.014 6.772 -5.271
141 HE ARG 24 HE ARG 24 -11.807 4.571 -5.830
142 HH11 ARG 24 1HH2 ARG 24 -10.987 7.876 -6.447
143 HH12 ARG 24 2HH2 ARG 24 -12.595 8.334 -6.903
144 HH21 ARG 24 1HH1 ARG 24 -13.917 5.164 -6.427
145 HH22 ARG 24 2HH1 ARG 24 -14.253 6.799 -6.891
146 H ASP 25 H ASP 25 -5.227 5.133 -8.329
147 HA ASP 25 HA ASP 25 -6.538 3.695 -10.432
148 HB2 ASP 25 2HB ASP 25 -3.749 4.781 -10.069
149 HB3 ASP 25 1HB ASP 25 -4.229 3.881 -11.504
150 H THR 26 H THR 26 -3.762 2.994 -8.307
151 HA THR 26 HA THR 26 -3.065 0.498 -9.300
152 HB THR 26 HB THR 26 -3.052 1.255 -6.373
153 HG1 THR 26 1HG THR 26 -1.871 2.425 -8.457
154 HG21 THR 26 3HG2 THR 26 -2.498 -1.103 -6.967
155 HG22 THR 26 1HG2 THR 26 -1.126 -0.235 -6.279
156 HG23 THR 26 2HG2 THR 26 -1.216 -0.506 -8.019
157 H ILE 27 H ILE 27 -5.535 1.328 -6.889
158 HA ILE 27 HA ILE 27 -6.294 -1.380 -6.370
159 HB ILE 27 HB ILE 27 -7.795 1.208 -5.903
160 HG12 ILE 27 2HG1 ILE 27 -6.242 -0.501 -3.942
161 HG13 ILE 27 1HG1 ILE 27 -5.538 0.889 -4.766
162 HG21 ILE 27 1HG2 ILE 27 -8.279 -1.651 -5.054
163 HG22 ILE 27 2HG2 ILE 27 -9.405 -0.535 -5.826
164 HG23 ILE 27 3HG2 ILE 27 -8.935 -0.290 -4.144
165 HD11 ILE 27 3HD1 ILE 27 -7.009 2.409 -3.713
166 HD12 ILE 27 1HD1 ILE 27 -6.571 1.286 -2.428
167 HD13 ILE 27 2HD1 ILE 27 -8.128 1.131 -3.238
168 H ASN 28 H ASN 28 -7.230 1.039 -8.713
169 HA ASN 28 HA ASN 28 -9.465 -0.617 -9.663
170 HB2 ASN 28 2HB ASN 28 -8.557 2.189 -10.307
171 HB3 ASN 28 1HB ASN 28 -9.829 1.364 -11.208
172 HD21 ASN 28 1HD2 ASN 28 -8.984 1.851 -7.721
173 HD22 ASN 28 2HD2 ASN 28 -10.574 2.211 -7.247
174 H THR 29 H THR 29 -6.574 -1.331 -9.987
175 HA THR 29 HA THR 29 -6.713 -1.943 -12.836
176 HB THR 29 HB THR 29 -4.325 -1.176 -13.151
177 HG1 THR 29 1HG THR 29 -3.438 -0.656 -11.322
178 HG21 THR 29 3HG2 THR 29 -6.375 0.089 -13.921
179 HG22 THR 29 1HG2 THR 29 -4.955 1.093 -13.640
180 HG23 THR 29 2HG2 THR 29 -6.252 1.048 -12.447
181 H SER 30 H SER 30 -4.566 -2.075 -9.985
182 HA SER 30 HA SER 30 -3.619 -4.718 -10.776
183 HB2 SER 30 2HB SER 30 -2.241 -2.779 -9.673
184 HB3 SER 30 1HB SER 30 -2.928 -3.395 -8.172
185 HG SER 30 HG SER 30 -2.046 -5.398 -9.768
186 H CYS 31 H CYS 31 -3.358 -6.237 -8.715
187 HA CYS 31 HA CYS 31 -5.645 -6.220 -6.942
188 HB2 CYS 31 2HB CYS 31 -6.728 -7.177 -8.871
189 HB3 CYS 31 1HB CYS 31 -5.389 -8.298 -9.125
190 HG CYS 31 HG CYS 31 -7.305 -9.534 -7.787
191 H ASP 32 H ASP 32 -4.946 -6.963 -5.054
192 HA ASP 32 HA ASP 32 -3.493 -9.370 -4.719
193 HB2 ASP 32 2HB ASP 32 -1.775 -7.537 -5.614
194 HB3 ASP 32 1HB ASP 32 -1.769 -7.065 -3.917
195 H ILE 33 H ILE 33 -3.145 -9.881 -2.495
196 HA ILE 33 HA ILE 33 -5.005 -8.533 -0.731
197 HB ILE 33 HB ILE 33 -3.106 -10.771 -0.020
198 HG12 ILE 33 2HG1 ILE 33 -4.276 -11.506 -2.002
199 HG13 ILE 33 1HG1 ILE 33 -5.057 -12.267 -0.616
200 HG21 ILE 33 1HG2 ILE 33 -5.014 -11.326 1.534
201 HG22 ILE 33 2HG2 ILE 33 -5.768 -9.808 1.053
202 HG23 ILE 33 3HG2 ILE 33 -4.215 -9.795 1.887
203 HD11 ILE 33 3HD1 ILE 33 -6.867 -11.455 -1.895
204 HD12 ILE 33 1HD1 ILE 33 -6.034 -9.949 -2.280
205 HD13 ILE 33 2HD1 ILE 33 -6.653 -10.224 -0.653
206 H GLU 34 H GLU 34 -1.765 -8.154 -1.544
207 HA GLU 34 HA GLU 34 -1.001 -7.083 1.088
208 HB2 GLU 34 2HB GLU 34 0.711 -7.385 -1.386
209 HB3 GLU 34 1HB GLU 34 1.258 -7.086 0.264
210 HG2 GLU 34 2HG GLU 34 0.394 -9.263 0.975
211 HG3 GLU 34 1HG GLU 34 -0.234 -9.565 -0.644
212 H LEU 35 H LEU 35 -0.629 -6.070 -2.326
213 HA LEU 35 HA LEU 35 -0.048 -3.396 -1.831
214 HB2 LEU 35 2HB LEU 35 -1.307 -4.821 -4.158
215 HB3 LEU 35 1HB LEU 35 -1.158 -3.067 -4.173
216 HG LEU 35 HG LEU 35 1.160 -4.960 -3.677
217 HD11 LEU 35 1HD1 LEU 35 1.813 -4.603 -5.965
218 HD12 LEU 35 2HD1 LEU 35 0.535 -3.410 -6.203
219 HD13 LEU 35 3HD1 LEU 35 0.123 -5.112 -5.986
220 HD21 LEU 35 3HD2 LEU 35 1.947 -2.965 -2.833
221 HD22 LEU 35 1HD2 LEU 35 0.812 -1.994 -3.771
222 HD23 LEU 35 2HD2 LEU 35 2.261 -2.644 -4.536
223 H LEU 36 H LEU 36 -3.243 -4.828 -2.546
224 HA LEU 36 HA LEU 36 -4.764 -2.506 -2.340
225 HB2 LEU 36 2HB LEU 36 -5.515 -5.327 -1.532
226 HB3 LEU 36 1HB LEU 36 -6.658 -4.004 -1.771
227 HG LEU 36 HG LEU 36 -4.768 -5.082 -3.886
228 HD11 LEU 36 1HD1 LEU 36 -6.742 -6.547 -3.139
229 HD12 LEU 36 2HD1 LEU 36 -6.657 -6.159 -4.857
230 HD13 LEU 36 3HD1 LEU 36 -7.783 -5.293 -3.812
231 HD21 LEU 36 3HD2 LEU 36 -6.536 -3.665 -5.283
232 HD22 LEU 36 1HD2 LEU 36 -5.130 -2.888 -4.560
233 HD23 LEU 36 2HD2 LEU 36 -6.700 -2.789 -3.761
234 H ALA 37 H ALA 37 -3.892 -4.822 0.221
235 HA ALA 37 HA ALA 37 -5.207 -3.438 2.315
236 HB1 ALA 37 1HB ALA 37 -2.886 -5.378 2.336
237 HB2 ALA 37 2HB ALA 37 -4.584 -5.740 2.639
238 HB3 ALA 37 3HB ALA 37 -3.669 -4.774 3.796
239 H ALA 38 H ALA 38 -2.041 -3.135 0.844
240 HA ALA 38 HA ALA 38 -0.960 -1.404 2.868
241 HB1 ALA 38 1HB ALA 38 0.030 -1.583 0.028
242 HB2 ALA 38 2HB ALA 38 0.331 -2.877 1.191
243 HB3 ALA 38 3HB ALA 38 0.950 -1.255 1.498
244 H CYS 39 H CYS 39 -2.530 -0.971 -0.266
245 HA CYS 39 HA CYS 39 -2.131 1.857 -0.390
246 HB2 CYS 39 2HB CYS 39 -2.537 0.567 -2.416
247 HB3 CYS 39 1HB CYS 39 -4.115 0.067 -1.810
248 HG CYS 39 HG CYS 39 -4.773 2.115 -3.128
249 H ARG 40 H ARG 40 -4.923 -0.187 0.461
250 HA ARG 40 HA ARG 40 -6.812 1.759 0.977
251 HB2 ARG 40 2HB ARG 40 -6.289 -0.887 2.329
252 HB3 ARG 40 1HB ARG 40 -7.681 0.119 2.731
253 HG2 ARG 40 2HG ARG 40 -8.584 -0.056 0.546
254 HG3 ARG 40 1HG ARG 40 -7.063 -0.650 -0.123
255 HD2 ARG 40 2HD ARG 40 -9.018 -2.342 0.389
256 HD3 ARG 40 1HD ARG 40 -7.352 -2.786 0.752
257 HE ARG 40 HE ARG 40 -8.772 -1.495 2.935
258 HH11 ARG 40 1HH2 ARG 40 -7.903 -4.434 1.328
259 HH12 ARG 40 2HH2 ARG 40 -8.132 -5.428 2.727
260 HH21 ARG 40 1HH1 ARG 40 -9.072 -2.793 4.774
261 HH22 ARG 40 2HH1 ARG 40 -8.793 -4.499 4.679
262 H GLU 41 H GLU 41 -4.083 0.764 2.962
263 HA GLU 41 HA GLU 41 -4.825 2.030 5.367
264 HB2 GLU 41 2HB GLU 41 -2.182 1.251 4.156
265 HB3 GLU 41 1HB GLU 41 -2.248 2.131 5.683
266 HG2 GLU 41 2HG GLU 41 -3.595 0.395 6.699
267 HG3 GLU 41 1HG GLU 41 -3.757 -0.443 5.156
268 H GLU 42 H GLU 42 -2.748 3.213 2.709
269 HA GLU 42 HA GLU 42 -2.411 5.812 3.811
270 HB2 GLU 42 2HB GLU 42 -2.285 5.270 0.857
271 HB3 GLU 42 1HB GLU 42 -1.285 6.347 1.834
272 HG2 GLU 42 2HG GLU 42 -1.220 3.322 1.781
273 HG3 GLU 42 1HG GLU 42 0.059 4.428 1.285
274 H PHE 43 H PHE 43 -4.651 4.456 1.425
275 HA PHE 43 HA PHE 43 -5.928 6.723 0.520
276 HB2 PHE 43 2HB PHE 43 -6.357 4.302 -0.143
277 HB3 PHE 43 1HB PHE 43 -7.407 4.202 1.271
278 HD1 PHE 43 1HD PHE 43 -6.866 5.956 -1.958
279 HD2 PHE 43 2HD PHE 43 -9.572 5.226 1.296
280 HE1 PHE 43 1HE PHE 43 -8.697 7.032 -3.240
281 HE2 PHE 43 2HE PHE 43 -11.402 6.302 0.015
282 HZ PHE 43 HZ PHE 43 -10.966 7.204 -2.252
283 H HIS 44 H HIS 44 -6.615 4.885 3.483
284 HA HIS 44 HA HIS 44 -8.819 6.344 4.383
285 HB2 HIS 44 2HB HIS 44 -7.642 4.173 5.309
286 HB3 HIS 44 1HB HIS 44 -6.782 5.322 6.333
287 HD2 HIS 44 2HD HIS 44 -9.855 7.167 6.310
288 HE1 HIS 44 1HE HIS 44 -10.832 4.013 8.941
289 HE2 HIS 44 2HE HIS 44 -11.519 6.320 8.135
290 H ARG 45 H ARG 45 -5.363 6.993 4.702
291 HA ARG 45 HA ARG 45 -5.558 9.110 6.568
292 HB2 ARG 45 2HB ARG 45 -3.447 8.732 4.436
293 HB3 ARG 45 1HB ARG 45 -3.289 9.647 5.936
294 HG2 ARG 45 2HG ARG 45 -3.638 7.581 7.238
295 HG3 ARG 45 1HG ARG 45 -3.792 6.662 5.740
296 HD2 ARG 45 2HD ARG 45 -1.532 6.369 6.420
297 HD3 ARG 45 1HD ARG 45 -1.478 7.559 5.121
298 HE ARG 45 HE ARG 45 -1.689 8.727 7.759
299 HH11 ARG 45 1HH2 ARG 45 0.396 7.467 5.302
300 HH12 ARG 45 2HH2 ARG 45 1.781 8.367 5.821
301 HH21 ARG 45 1HH1 ARG 45 0.125 9.912 8.447
302 HH22 ARG 45 2HH1 ARG 45 1.628 9.751 7.602
303 H ARG 46 H ARG 46 -5.524 9.072 3.014
304 HA ARG 46 HA ARG 46 -5.436 11.819 2.551
305 HB2 ARG 46 2HB ARG 46 -7.147 9.992 0.882
306 HB3 ARG 46 1HB ARG 46 -6.158 11.357 0.367
307 HG2 ARG 46 2HG ARG 46 -5.164 8.680 1.379
308 HG3 ARG 46 1HG ARG 46 -5.025 9.303 -0.264
309 HD2 ARG 46 2HD ARG 46 -3.695 11.236 0.697
310 HD3 ARG 46 1HD ARG 46 -3.669 10.363 2.227
311 HE ARG 46 HE ARG 46 -2.703 8.499 0.561
312 HH11 ARG 46 1HH2 ARG 46 -2.031 11.880 0.893
313 HH12 ARG 46 2HH2 ARG 46 -0.386 11.745 0.367
314 HH21 ARG 46 1HH1 ARG 46 -0.546 8.317 -0.127
315 HH22 ARG 46 2HH1 ARG 46 0.455 9.729 -0.210
316 H LEU 47 H LEU 47 -8.175 9.747 3.372
317 HA LEU 47 HA LEU 47 -10.209 11.672 2.933
318 HB2 LEU 47 2HB LEU 47 -9.991 9.078 4.393
319 HB3 LEU 47 1HB LEU 47 -11.352 10.125 4.792
320 HG LEU 47 HG LEU 47 -11.940 10.244 2.378
321 HD11 LEU 47 1HD1 LEU 47 -9.692 9.850 1.461
322 HD12 LEU 47 2HD1 LEU 47 -10.834 8.669 0.822
323 HD13 LEU 47 3HD1 LEU 47 -9.710 8.206 2.100
324 HD21 LEU 47 3HD2 LEU 47 -11.655 7.420 3.454
325 HD22 LEU 47 1HD2 LEU 47 -12.780 7.935 2.197
326 HD23 LEU 47 2HD2 LEU 47 -12.967 8.530 3.847
327 H LYS 48 H LYS 48 -7.991 11.102 5.565
328 HA LYS 48 HA LYS 48 -9.426 12.688 7.489
329 HB2 LYS 48 2HB LYS 48 -7.899 10.923 8.226
330 HB3 LYS 48 1HB LYS 48 -6.548 11.752 7.452
331 HG2 LYS 48 2HG LYS 48 -6.684 13.595 8.960
332 HG3 LYS 48 1HG LYS 48 -8.262 13.082 9.558
333 HD2 LYS 48 2HD LYS 48 -7.312 11.161 10.653
334 HD3 LYS 48 1HD LYS 48 -5.749 11.422 9.875
335 HE2 LYS 48 2HE LYS 48 -6.004 12.224 12.318
336 HE3 LYS 48 1HE LYS 48 -5.299 13.356 11.162
337 HZ1 LYS 48 3HZ LYS 48 -8.189 13.424 11.366
338 HZ2 LYS 48 1HZ LYS 48 -7.075 14.701 11.265
339 HZ3 LYS 48 2HZ LYS 48 -7.357 13.939 12.756
340 H VAL 49 H VAL 49 -6.156 13.216 6.166
341 HA VAL 49 HA VAL 49 -6.194 16.002 6.707
342 HB VAL 49 HB VAL 49 -4.126 16.058 5.359
343 HG11 VAL 49 1HG1 VAL 49 -4.206 13.577 7.092
344 HG12 VAL 49 2HG1 VAL 49 -4.209 15.212 7.753
345 HG13 VAL 49 3HG1 VAL 49 -2.831 14.646 6.808
346 HG21 VAL 49 3HG2 VAL 49 -5.064 13.283 4.628
347 HG22 VAL 49 1HG2 VAL 49 -3.355 13.713 4.551
348 HG23 VAL 49 2HG2 VAL 49 -4.526 14.578 3.559
349 H TYR 50 H TYR 50 -7.192 17.569 5.635
350 HA TYR 50 HA TYR 50 -8.264 17.034 2.957
351 HB2 TYR 50 2HB TYR 50 -9.417 19.276 3.376
352 HB3 TYR 50 1HB TYR 50 -9.899 17.938 4.420
353 HD1 TYR 50 2HD TYR 50 -8.808 17.718 6.711
354 HD2 TYR 50 1HD TYR 50 -8.449 21.243 4.282
355 HE1 TYR 50 2HE TYR 50 -8.123 19.022 8.706
356 HE2 TYR 50 1HE TYR 50 -7.764 22.547 6.277
357 HH TYR 50 HH TYR 50 -6.641 21.948 8.568
358 H HIS 51 H HIS 51 -5.523 17.260 2.934
359 HA HIS 51 HA HIS 51 -4.409 19.785 2.594
360 HB2 HIS 51 2HB HIS 51 -2.803 18.611 1.030
361 HB3 HIS 51 1HB HIS 51 -2.973 17.869 2.622
362 HD2 HIS 51 2HD HIS 51 -2.132 15.585 0.692
363 HE1 HIS 51 1HE HIS 51 -6.203 14.828 -0.133
364 HE2 HIS 51 2HE HIS 51 -3.851 13.886 -0.295
Start of MODEL 9
1 H1 GLY 9 H GLY 9 12.829 -5.217 -2.478
2 HA2 GLY 9 2HA GLY 9 13.496 -7.942 -3.113
3 HA3 GLY 9 1HA GLY 9 13.588 -7.609 -1.386
4 H THR 10 H THR 10 11.807 -8.276 -0.382
5 HA THR 10 HA THR 10 9.180 -7.653 -1.578
6 HB THR 10 HB THR 10 8.330 -9.819 -0.934
7 HG1 THR 10 1HG THR 10 9.368 -10.500 0.789
8 HG21 THR 10 3HG2 THR 10 9.502 -9.622 -3.122
9 HG22 THR 10 1HG2 THR 10 9.613 -11.247 -2.444
10 HG23 THR 10 2HG2 THR 10 10.993 -10.153 -2.342
11 H LYS 11 H LYS 11 7.737 -8.894 0.525
12 HA LYS 11 HA LYS 11 7.007 -8.561 2.687
13 HB2 LYS 11 2HB LYS 11 9.609 -8.668 3.086
14 HB3 LYS 11 1HB LYS 11 9.433 -6.935 3.353
15 HG2 LYS 11 2HG LYS 11 7.638 -7.413 5.022
16 HG3 LYS 11 1HG LYS 11 7.947 -9.137 4.814
17 HD2 LYS 11 2HD LYS 11 10.361 -8.675 5.436
18 HD3 LYS 11 1HD LYS 11 9.858 -7.044 5.880
19 HE2 LYS 11 2HE LYS 11 9.775 -8.302 7.903
20 HE3 LYS 11 1HE LYS 11 8.100 -8.152 7.376
21 HZ1 LYS 11 3HZ LYS 11 8.730 -10.372 6.129
22 HZ2 LYS 11 1HZ LYS 11 8.175 -10.373 7.732
23 HZ3 LYS 11 2HZ LYS 11 9.839 -10.497 7.409
24 H LYS 12 H LYS 12 5.328 -7.238 2.011
25 HA LYS 12 HA LYS 12 4.127 -5.297 1.708
26 HB2 LYS 12 2HB LYS 12 6.036 -4.477 3.906
27 HB3 LYS 12 1HB LYS 12 4.628 -3.533 3.421
28 HG2 LYS 12 2HG LYS 12 3.201 -4.899 4.537
29 HG3 LYS 12 1HG LYS 12 3.957 -6.350 3.880
30 HD2 LYS 12 2HD LYS 12 5.610 -6.394 5.586
31 HD3 LYS 12 1HD LYS 12 5.256 -4.738 6.083
32 HE2 LYS 12 2HE LYS 12 3.031 -5.435 6.868
33 HE3 LYS 12 1HE LYS 12 3.355 -7.088 6.347
34 HZ1 LYS 12 3HZ LYS 12 4.333 -5.652 8.666
35 HZ2 LYS 12 1HZ LYS 12 5.493 -6.593 7.863
36 HZ3 LYS 12 2HZ LYS 12 4.072 -7.317 8.445
37 H TYR 13 H TYR 13 4.807 -2.620 1.895
38 HA TYR 13 HA TYR 13 7.127 -2.142 0.193
39 HB2 TYR 13 2HB TYR 13 4.398 -1.244 -0.737
40 HB3 TYR 13 1HB TYR 13 5.925 -1.156 -1.615
41 HD1 TYR 13 1HD TYR 13 3.308 -3.444 -0.331
42 HD2 TYR 13 2HD TYR 13 6.837 -3.074 -2.752
43 HE1 TYR 13 1HE TYR 13 2.906 -5.706 -1.263
44 HE2 TYR 13 2HE TYR 13 6.435 -5.337 -3.683
45 HH TYR 13 HH TYR 13 5.272 -7.310 -3.279
46 H ASP 14 H ASP 14 7.652 0.118 0.009
47 HA ASP 14 HA ASP 14 6.702 1.653 2.327
48 HB2 ASP 14 2HB ASP 14 8.662 3.129 1.764
49 HB3 ASP 14 1HB ASP 14 9.091 1.470 2.181
50 H LEU 15 H LEU 15 4.973 2.880 1.924
51 HA LEU 15 HA LEU 15 4.691 4.181 -0.703
52 HB2 LEU 15 2HB LEU 15 2.629 4.245 1.488
53 HB3 LEU 15 1HB LEU 15 2.399 4.372 -0.256
54 HG LEU 15 HG LEU 15 3.267 1.888 1.253
55 HD11 LEU 15 1HD1 LEU 15 0.928 2.196 1.579
56 HD12 LEU 15 2HD1 LEU 15 1.062 1.051 0.245
57 HD13 LEU 15 3HD1 LEU 15 0.693 2.745 -0.080
58 HD21 LEU 15 3HD2 LEU 15 2.946 0.827 -1.033
59 HD22 LEU 15 1HD2 LEU 15 4.344 1.893 -0.903
60 HD23 LEU 15 2HD2 LEU 15 2.875 2.458 -1.698
61 H SER 16 H SER 16 6.699 5.158 1.019
62 HA SER 16 HA SER 16 6.261 7.159 2.775
63 HB2 SER 16 2HB SER 16 8.118 7.406 0.398
64 HB3 SER 16 1HB SER 16 8.244 8.287 1.918
65 HG SER 16 HG SER 16 9.188 6.608 2.741
66 H LYS 17 H LYS 17 5.641 7.320 -0.693
67 HA LYS 17 HA LYS 17 3.829 9.541 -0.297
68 HB2 LYS 17 2HB LYS 17 4.945 11.065 -1.846
69 HB3 LYS 17 1HB LYS 17 6.000 10.701 -0.482
70 HG2 LYS 17 2HG LYS 17 7.561 10.191 -2.056
71 HG3 LYS 17 1HG LYS 17 6.656 8.694 -2.268
72 HD2 LYS 17 2HD LYS 17 5.263 9.843 -4.006
73 HD3 LYS 17 1HD LYS 17 6.304 11.257 -3.849
74 HE2 LYS 17 2HE LYS 17 7.033 9.860 -5.738
75 HE3 LYS 17 1HE LYS 17 8.261 9.880 -4.474
76 HZ1 LYS 17 3HZ LYS 17 6.935 7.672 -5.559
77 HZ2 LYS 17 1HZ LYS 17 6.460 7.805 -3.936
78 HZ3 LYS 17 2HZ LYS 17 8.108 7.692 -4.331
79 H TRP 18 H TRP 18 2.177 9.355 -1.671
80 HA TRP 18 HA TRP 18 2.583 8.024 -4.266
81 HB2 TRP 18 2HB TRP 18 0.850 7.103 -2.013
82 HB3 TRP 18 1HB TRP 18 0.213 6.950 -3.647
83 HD1 TRP 18 HD TRP 18 3.472 6.067 -1.746
84 HE1 TRP 18 1HE TRP 18 4.371 3.849 -2.699
85 HE3 TRP 18 3HE TRP 18 0.022 5.218 -5.414
86 HZ2 TRP 18 2HZ TRP 18 3.715 1.959 -4.744
87 HZ3 TRP 18 3HZ TRP 18 0.180 3.203 -6.847
88 HH2 TRP 18 HH TRP 18 2.021 1.573 -6.517
89 H LYS 19 H LYS 19 0.581 8.266 -5.653
90 HA LYS 19 HA LYS 19 -0.499 10.990 -5.288
91 HB2 LYS 19 2HB LYS 19 -0.586 9.357 -7.823
92 HB3 LYS 19 1HB LYS 19 -0.750 11.103 -7.639
93 HG2 LYS 19 2HG LYS 19 1.758 9.483 -7.109
94 HG3 LYS 19 1HG LYS 19 1.489 10.564 -8.477
95 HD2 LYS 19 2HD LYS 19 1.058 12.396 -6.709
96 HD3 LYS 19 1HD LYS 19 1.799 11.280 -5.560
97 HE2 LYS 19 2HE LYS 19 3.834 11.188 -6.924
98 HE3 LYS 19 1HE LYS 19 3.097 12.247 -8.123
99 HZ1 LYS 19 3HZ LYS 19 2.798 13.865 -6.215
100 HZ2 LYS 19 1HZ LYS 19 4.380 13.643 -6.783
101 HZ3 LYS 19 2HZ LYS 19 3.882 12.887 -5.345
102 H TYR 20 H TYR 20 -2.683 11.399 -5.386
103 HA TYR 20 HA TYR 20 -4.466 9.519 -4.376
104 HB2 TYR 20 2HB TYR 20 -4.895 11.931 -4.315
105 HB3 TYR 20 1HB TYR 20 -5.079 11.953 -6.070
106 HD1 TYR 20 2HD TYR 20 -6.970 10.724 -7.146
107 HD2 TYR 20 1HD TYR 20 -6.651 11.142 -2.883
108 HE1 TYR 20 2HE TYR 20 -9.357 10.095 -6.907
109 HE2 TYR 20 1HE TYR 20 -9.039 10.513 -2.643
110 HH TYR 20 HH TYR 20 -10.891 9.282 -5.318
111 H ALA 21 H ALA 21 -3.618 10.254 -7.708
112 HA ALA 21 HA ALA 21 -5.733 8.661 -8.842
113 HB1 ALA 21 1HB ALA 21 -4.684 10.590 -10.028
114 HB2 ALA 21 2HB ALA 21 -4.655 9.097 -10.968
115 HB3 ALA 21 3HB ALA 21 -3.194 9.655 -10.153
116 H GLU 22 H GLU 22 -2.228 8.254 -8.381
117 HA GLU 22 HA GLU 22 -1.961 5.741 -9.584
118 HB2 GLU 22 2HB GLU 22 -0.446 7.068 -7.334
119 HB3 GLU 22 1HB GLU 22 0.014 5.496 -7.987
120 HG2 GLU 22 2HG GLU 22 0.358 6.419 -10.183
121 HG3 GLU 22 1HG GLU 22 -0.349 7.961 -9.706
122 H LEU 23 H LEU 23 -2.869 6.626 -6.276
123 HA LEU 23 HA LEU 23 -2.896 3.999 -5.216
124 HB2 LEU 23 2HB LEU 23 -4.462 6.455 -4.392
125 HB3 LEU 23 1HB LEU 23 -4.323 4.981 -3.436
126 HG LEU 23 HG LEU 23 -1.865 6.442 -4.395
127 HD11 LEU 23 1HD1 LEU 23 -2.947 8.176 -3.208
128 HD12 LEU 23 2HD1 LEU 23 -1.900 7.429 -2.001
129 HD13 LEU 23 3HD1 LEU 23 -3.624 7.059 -2.021
130 HD21 LEU 23 3HD2 LEU 23 -0.991 5.392 -2.235
131 HD22 LEU 23 1HD2 LEU 23 -1.413 4.254 -3.514
132 HD23 LEU 23 2HD2 LEU 23 -2.511 4.502 -2.155
133 H ARG 24 H ARG 24 -5.575 6.061 -6.363
134 HA ARG 24 HA ARG 24 -7.565 4.062 -6.145
135 HB2 ARG 24 2HB ARG 24 -8.147 6.421 -6.281
136 HB3 ARG 24 1HB ARG 24 -7.453 6.525 -7.898
137 HG2 ARG 24 2HG ARG 24 -9.294 5.613 -8.869
138 HG3 ARG 24 1HG ARG 24 -9.418 4.352 -7.642
139 HD2 ARG 24 2HD ARG 24 -10.612 5.778 -6.153
140 HD3 ARG 24 1HD ARG 24 -10.207 7.215 -7.086
141 HE ARG 24 HE ARG 24 -11.676 5.378 -8.689
142 HH11 ARG 24 1HH2 ARG 24 -11.957 7.626 -6.073
143 HH12 ARG 24 2HH2 ARG 24 -13.619 8.001 -6.390
144 HH21 ARG 24 1HH1 ARG 24 -13.855 5.863 -9.112
145 HH22 ARG 24 2HH1 ARG 24 -14.692 7.003 -8.111
146 H ASP 25 H ASP 25 -5.330 4.940 -8.718
147 HA ASP 25 HA ASP 25 -6.572 3.344 -10.738
148 HB2 ASP 25 2HB ASP 25 -3.861 4.632 -10.454
149 HB3 ASP 25 1HB ASP 25 -4.266 3.619 -11.837
150 H THR 26 H THR 26 -3.741 2.872 -8.620
151 HA THR 26 HA THR 26 -2.911 0.386 -9.542
152 HB THR 26 HB THR 26 -2.911 1.398 -6.686
153 HG1 THR 26 1HG THR 26 -1.545 2.741 -7.522
154 HG21 THR 26 3HG2 THR 26 -1.416 -0.827 -8.087
155 HG22 THR 26 1HG2 THR 26 -2.469 -0.961 -6.680
156 HG23 THR 26 2HG2 THR 26 -0.908 -0.152 -6.540
157 H ILE 27 H ILE 27 -5.565 1.219 -7.391
158 HA ILE 27 HA ILE 27 -6.142 -1.511 -6.666
159 HB ILE 27 HB ILE 27 -7.785 1.017 -6.377
160 HG12 ILE 27 2HG1 ILE 27 -6.218 -0.512 -4.283
161 HG13 ILE 27 1HG1 ILE 27 -5.546 0.859 -5.164
162 HG21 ILE 27 1HG2 ILE 27 -8.158 -1.818 -5.402
163 HG22 ILE 27 2HG2 ILE 27 -9.314 -0.791 -6.249
164 HG23 ILE 27 3HG2 ILE 27 -8.897 -0.450 -4.569
165 HD11 ILE 27 3HD1 ILE 27 -7.106 2.372 -4.240
166 HD12 ILE 27 1HD1 ILE 27 -6.669 1.338 -2.881
167 HD13 ILE 27 2HD1 ILE 27 -8.191 1.079 -3.732
168 H ASN 28 H ASN 28 -7.226 0.775 -9.101
169 HA ASN 28 HA ASN 28 -9.285 -1.093 -10.051
170 HB2 ASN 28 2HB ASN 28 -8.600 1.768 -10.721
171 HB3 ASN 28 1HB ASN 28 -9.740 0.824 -11.681
172 HD21 ASN 28 1HD2 ASN 28 -9.222 2.306 -8.500
173 HD22 ASN 28 2HD2 ASN 28 -10.828 2.148 -7.976
174 H THR 29 H THR 29 -6.395 -1.667 -10.290
175 HA THR 29 HA THR 29 -6.392 -2.299 -13.137
176 HB THR 29 HB THR 29 -4.038 -1.424 -13.373
177 HG1 THR 29 1HG THR 29 -3.630 0.321 -11.812
178 HG21 THR 29 3HG2 THR 29 -4.745 0.808 -13.897
179 HG22 THR 29 1HG2 THR 29 -6.059 0.730 -12.724
180 HG23 THR 29 2HG2 THR 29 -6.129 -0.243 -14.192
181 H SER 30 H SER 30 -4.312 -2.296 -10.232
182 HA SER 30 HA SER 30 -3.240 -4.910 -10.945
183 HB2 SER 30 2HB SER 30 -1.960 -2.922 -9.842
184 HB3 SER 30 1HB SER 30 -2.703 -3.490 -8.348
185 HG SER 30 HG SER 30 -1.241 -5.126 -10.154
186 H CYS 31 H CYS 31 -2.971 -6.361 -8.812
187 HA CYS 31 HA CYS 31 -5.336 -6.422 -7.145
188 HB2 CYS 31 2HB CYS 31 -6.134 -7.484 -9.246
189 HB3 CYS 31 1HB CYS 31 -4.850 -8.682 -9.098
190 HG CYS 31 HG CYS 31 -6.018 -9.730 -7.104
191 H ASP 32 H ASP 32 -4.678 -7.059 -5.206
192 HA ASP 32 HA ASP 32 -3.129 -9.380 -4.729
193 HB2 ASP 32 2HB ASP 32 -1.462 -7.494 -5.617
194 HB3 ASP 32 1HB ASP 32 -1.544 -6.976 -3.937
195 H ILE 33 H ILE 33 -2.819 -9.781 -2.469
196 HA ILE 33 HA ILE 33 -4.816 -8.460 -0.827
197 HB ILE 33 HB ILE 33 -2.872 -10.598 0.045
198 HG12 ILE 33 2HG1 ILE 33 -3.885 -11.446 -1.975
199 HG13 ILE 33 1HG1 ILE 33 -4.723 -12.195 -0.616
200 HG21 ILE 33 1HG2 ILE 33 -4.808 -11.189 1.524
201 HG22 ILE 33 2HG2 ILE 33 -5.654 -9.765 0.917
202 HG23 ILE 33 3HG2 ILE 33 -4.159 -9.578 1.835
203 HD11 ILE 33 3HD1 ILE 33 -6.402 -10.239 -0.816
204 HD12 ILE 33 1HD1 ILE 33 -6.469 -11.495 -2.054
205 HD13 ILE 33 2HD1 ILE 33 -5.679 -9.957 -2.401
206 H GLU 34 H GLU 34 -1.540 -8.032 -1.506
207 HA GLU 34 HA GLU 34 -0.914 -6.857 1.111
208 HB2 GLU 34 2HB GLU 34 0.935 -7.023 -1.264
209 HB3 GLU 34 1HB GLU 34 1.353 -6.888 0.444
210 HG2 GLU 34 2HG GLU 34 0.373 -9.136 0.840
211 HG3 GLU 34 1HG GLU 34 0.036 -9.273 -0.885
212 H LEU 35 H LEU 35 -0.486 -5.900 -2.311
213 HA LEU 35 HA LEU 35 -0.012 -3.197 -1.865
214 HB2 LEU 35 2HB LEU 35 -1.139 -4.736 -4.182
215 HB3 LEU 35 1HB LEU 35 -1.101 -2.977 -4.243
216 HG LEU 35 HG LEU 35 1.326 -4.675 -3.602
217 HD11 LEU 35 1HD1 LEU 35 2.023 -4.250 -5.934
218 HD12 LEU 35 2HD1 LEU 35 0.486 -3.444 -6.245
219 HD13 LEU 35 3HD1 LEU 35 0.519 -5.169 -5.879
220 HD21 LEU 35 3HD2 LEU 35 2.304 -2.371 -4.577
221 HD22 LEU 35 1HD2 LEU 35 1.903 -2.556 -2.872
222 HD23 LEU 35 2HD2 LEU 35 0.774 -1.753 -3.961
223 H LEU 36 H LEU 36 -3.135 -4.757 -2.624
224 HA LEU 36 HA LEU 36 -4.729 -2.466 -2.477
225 HB2 LEU 36 2HB LEU 36 -5.446 -5.308 -1.712
226 HB3 LEU 36 1HB LEU 36 -6.600 -4.014 -2.025
227 HG LEU 36 HG LEU 36 -4.571 -5.068 -4.021
228 HD11 LEU 36 1HD1 LEU 36 -6.566 -6.559 -3.379
229 HD12 LEU 36 2HD1 LEU 36 -6.381 -6.181 -5.091
230 HD13 LEU 36 3HD1 LEU 36 -7.583 -5.326 -4.124
231 HD21 LEU 36 3HD2 LEU 36 -4.930 -2.877 -4.718
232 HD22 LEU 36 1HD2 LEU 36 -6.552 -2.810 -4.027
233 HD23 LEU 36 2HD2 LEU 36 -6.267 -3.687 -5.531
234 H ALA 37 H ALA 37 -3.914 -4.805 0.082
235 HA ALA 37 HA ALA 37 -5.342 -3.537 2.154
236 HB1 ALA 37 1HB ALA 37 -4.588 -5.768 2.523
237 HB2 ALA 37 2HB ALA 37 -3.681 -4.758 3.648
238 HB3 ALA 37 3HB ALA 37 -2.916 -5.337 2.168
239 H ALA 38 H ALA 38 -2.132 -2.996 0.822
240 HA ALA 38 HA ALA 38 -1.289 -1.203 2.904
241 HB1 ALA 38 1HB ALA 38 0.654 -0.837 1.572
242 HB2 ALA 38 2HB ALA 38 -0.163 -1.383 0.107
243 HB3 ALA 38 3HB ALA 38 0.238 -2.540 1.377
244 H CYS 39 H CYS 39 -2.656 -0.845 -0.340
245 HA CYS 39 HA CYS 39 -2.453 1.984 -0.468
246 HB2 CYS 39 2HB CYS 39 -2.811 0.506 -2.439
247 HB3 CYS 39 1HB CYS 39 -4.446 0.181 -1.861
248 HG CYS 39 HG CYS 39 -4.966 2.763 -2.144
249 H ARG 40 H ARG 40 -5.213 -0.147 0.296
250 HA ARG 40 HA ARG 40 -7.083 1.846 0.863
251 HB2 ARG 40 2HB ARG 40 -6.778 -0.943 1.990
252 HB3 ARG 40 1HB ARG 40 -8.181 0.083 2.289
253 HG2 ARG 40 2HG ARG 40 -8.497 0.285 -0.188
254 HG3 ARG 40 1HG ARG 40 -7.185 -0.873 -0.409
255 HD2 ARG 40 2HD ARG 40 -8.911 -2.380 -0.398
256 HD3 ARG 40 1HD ARG 40 -8.704 -2.261 1.346
257 HE ARG 40 HE ARG 40 -10.858 -1.057 -0.241
258 HH11 ARG 40 1HH2 ARG 40 -9.241 -1.458 2.798
259 HH12 ARG 40 2HH2 ARG 40 -10.586 -0.900 3.737
260 HH21 ARG 40 1HH1 ARG 40 -12.615 -0.327 0.988
261 HH22 ARG 40 2HH1 ARG 40 -12.493 -0.261 2.714
262 H GLU 41 H GLU 41 -4.466 0.567 2.808
263 HA GLU 41 HA GLU 41 -5.353 1.638 5.302
264 HB2 GLU 41 2HB GLU 41 -2.736 0.573 4.271
265 HB3 GLU 41 1HB GLU 41 -2.833 1.333 5.860
266 HG2 GLU 41 2HG GLU 41 -4.346 -0.286 6.676
267 HG3 GLU 41 1HG GLU 41 -4.766 -0.839 5.057
268 H GLU 42 H GLU 42 -2.857 2.727 2.979
269 HA GLU 42 HA GLU 42 -2.334 5.144 4.396
270 HB2 GLU 42 2HB GLU 42 -0.779 5.606 2.749
271 HB3 GLU 42 1HB GLU 42 -0.903 3.856 2.595
272 HG2 GLU 42 2HG GLU 42 -1.125 4.525 0.375
273 HG3 GLU 42 1HG GLU 42 -2.811 4.427 0.872
274 H PHE 43 H PHE 43 -4.628 4.221 1.930
275 HA PHE 43 HA PHE 43 -5.348 6.770 0.975
276 HB2 PHE 43 2HB PHE 43 -6.054 4.410 0.146
277 HB3 PHE 43 1HB PHE 43 -7.347 4.546 1.335
278 HD1 PHE 43 1HD PHE 43 -8.892 6.575 1.233
279 HD2 PHE 43 2HD PHE 43 -6.181 5.538 -1.935
280 HE1 PHE 43 1HE PHE 43 -10.187 7.989 -0.340
281 HE2 PHE 43 2HE PHE 43 -7.476 6.952 -3.507
282 HZ PHE 43 HZ PHE 43 -9.480 8.178 -2.710
283 H HIS 44 H HIS 44 -6.243 4.996 3.865
284 HA HIS 44 HA HIS 44 -8.452 6.573 4.658
285 HB2 HIS 44 2HB HIS 44 -7.658 4.305 5.591
286 HB3 HIS 44 1HB HIS 44 -6.539 5.246 6.575
287 HD2 HIS 44 2HD HIS 44 -9.454 7.501 6.525
288 HE1 HIS 44 1HE HIS 44 -10.417 4.762 9.588
289 HE2 HIS 44 2HE HIS 44 -11.006 7.009 8.564
290 H ARG 45 H ARG 45 -4.975 6.828 5.307
291 HA ARG 45 HA ARG 45 -5.022 8.914 7.163
292 HB2 ARG 45 2HB ARG 45 -2.969 8.340 5.011
293 HB3 ARG 45 1HB ARG 45 -2.716 9.393 6.404
294 HG2 ARG 45 2HG ARG 45 -3.377 7.371 7.846
295 HG3 ARG 45 1HG ARG 45 -3.173 6.405 6.384
296 HD2 ARG 45 2HD ARG 45 -1.071 6.318 7.499
297 HD3 ARG 45 1HD ARG 45 -0.856 7.462 6.178
298 HE ARG 45 HE ARG 45 -1.650 8.682 8.685
299 HH11 ARG 45 1HH2 ARG 45 0.937 7.570 6.674
300 HH12 ARG 45 2HH2 ARG 45 2.124 8.614 7.387
301 HH21 ARG 45 1HH1 ARG 45 -0.101 10.052 9.625
302 HH22 ARG 45 2HH1 ARG 45 1.535 10.017 9.057
303 H ARG 46 H ARG 46 -5.056 9.004 3.619
304 HA ARG 46 HA ARG 46 -4.747 11.732 3.197
305 HB2 ARG 46 2HB ARG 46 -6.625 9.918 1.665
306 HB3 ARG 46 1HB ARG 46 -5.862 11.397 1.079
307 HG2 ARG 46 2HG ARG 46 -4.395 8.883 1.935
308 HG3 ARG 46 1HG ARG 46 -4.658 9.399 0.268
309 HD2 ARG 46 2HD ARG 46 -3.525 11.632 1.087
310 HD3 ARG 46 1HD ARG 46 -2.879 10.606 2.364
311 HE ARG 46 HE ARG 46 -1.509 9.581 0.786
312 HH11 ARG 46 1HH2 ARG 46 -3.992 11.461 -0.722
313 HH12 ARG 46 2HH2 ARG 46 -3.326 11.318 -2.314
314 HH21 ARG 46 1HH1 ARG 46 -0.629 9.389 -1.299
315 HH22 ARG 46 2HH1 ARG 46 -1.421 10.146 -2.640
316 H LEU 47 H LEU 47 -7.563 9.928 4.268
317 HA LEU 47 HA LEU 47 -9.390 12.136 3.992
318 HB2 LEU 47 2HB LEU 47 -9.856 9.768 5.785
319 HB3 LEU 47 1HB LEU 47 -11.023 10.688 4.833
320 HG LEU 47 HG LEU 47 -8.893 8.813 3.764
321 HD11 LEU 47 1HD1 LEU 47 -10.900 7.602 2.886
322 HD12 LEU 47 2HD1 LEU 47 -11.925 8.728 3.773
323 HD13 LEU 47 3HD1 LEU 47 -10.841 7.646 4.648
324 HD21 LEU 47 3HD2 LEU 47 -10.792 10.729 2.392
325 HD22 LEU 47 1HD2 LEU 47 -10.089 9.344 1.556
326 HD23 LEU 47 2HD2 LEU 47 -9.043 10.611 2.199
327 H LYS 48 H LYS 48 -7.269 10.911 6.486
328 HA LYS 48 HA LYS 48 -8.409 12.788 8.454
329 HB2 LYS 48 2HB LYS 48 -7.938 10.295 8.955
330 HB3 LYS 48 1HB LYS 48 -6.242 10.771 9.009
331 HG2 LYS 48 2HG LYS 48 -6.724 12.416 10.755
332 HG3 LYS 48 1HG LYS 48 -8.446 12.042 10.662
333 HD2 LYS 48 2HD LYS 48 -7.804 9.628 11.208
334 HD3 LYS 48 1HD LYS 48 -6.208 10.252 11.622
335 HE2 LYS 48 2HE LYS 48 -8.851 10.821 12.952
336 HE3 LYS 48 1HE LYS 48 -7.339 10.285 13.684
337 HZ1 LYS 48 3HZ LYS 48 -7.866 12.952 12.489
338 HZ2 LYS 48 1HZ LYS 48 -6.368 12.442 13.096
339 HZ3 LYS 48 2HZ LYS 48 -7.696 12.604 14.143
340 H VAL 49 H VAL 49 -6.028 12.715 6.137
341 HA VAL 49 HA VAL 49 -3.819 13.875 7.468
342 HB VAL 49 HB VAL 49 -3.973 12.858 5.088
343 HG11 VAL 49 1HG1 VAL 49 -4.417 15.726 4.282
344 HG12 VAL 49 2HG1 VAL 49 -5.789 14.643 4.511
345 HG13 VAL 49 3HG1 VAL 49 -4.561 14.267 3.304
346 HG21 VAL 49 3HG2 VAL 49 -1.939 13.880 6.110
347 HG22 VAL 49 1HG2 VAL 49 -2.454 15.452 5.501
348 HG23 VAL 49 2HG2 VAL 49 -2.036 14.165 4.372
349 H TYR 50 H TYR 50 -6.828 15.060 7.356
350 HA TYR 50 HA TYR 50 -5.909 17.876 7.307
351 HB2 TYR 50 2HB TYR 50 -7.505 17.080 5.431
352 HB3 TYR 50 1HB TYR 50 -8.736 17.039 6.692
353 HD1 TYR 50 2HD TYR 50 -6.208 19.251 5.066
354 HD2 TYR 50 1HD TYR 50 -9.781 19.029 7.439
355 HE1 TYR 50 2HE TYR 50 -6.492 21.705 4.865
356 HE2 TYR 50 1HE TYR 50 -10.066 21.484 7.238
357 HH TYR 50 HH TYR 50 -7.731 23.460 5.397
358 H HIS 51 H HIS 51 -5.815 16.248 9.609
359 HA HIS 51 HA HIS 51 -6.426 16.257 11.823
360 HB2 HIS 51 2HB HIS 51 -6.129 18.737 11.413
361 HB3 HIS 51 1HB HIS 51 -7.875 18.830 11.175
362 HD2 HIS 51 2HD HIS 51 -5.320 18.268 14.105
363 HE1 HIS 51 1HE HIS 51 -9.192 18.505 15.770
364 HE2 HIS 51 2HE HIS 51 -6.713 18.398 16.310
Start of MODEL 10
1 H1 GLY 9 H GLY 9 7.060 -13.862 4.827
2 HA2 GLY 9 2HA GLY 9 9.694 -13.394 4.365
3 HA3 GLY 9 1HA GLY 9 9.190 -14.242 2.905
4 H THR 10 H THR 10 10.055 -11.853 2.357
5 HA THR 10 HA THR 10 9.563 -9.830 1.422
6 HB THR 10 HB THR 10 6.664 -10.389 1.221
7 HG1 THR 10 1HG THR 10 7.870 -11.915 -0.570
8 HG21 THR 10 3HG2 THR 10 7.116 -9.821 -1.131
9 HG22 THR 10 1HG2 THR 10 8.848 -9.819 -0.797
10 HG23 THR 10 2HG2 THR 10 7.806 -8.608 -0.051
11 H LYS 11 H LYS 11 8.986 -7.795 2.029
12 HA LYS 11 HA LYS 11 7.370 -7.543 4.496
13 HB2 LYS 11 2HB LYS 11 8.852 -5.607 5.051
14 HB3 LYS 11 1HB LYS 11 9.666 -7.171 5.070
15 HG2 LYS 11 2HG LYS 11 10.825 -6.749 3.089
16 HG3 LYS 11 1HG LYS 11 9.657 -5.549 2.538
17 HD2 LYS 11 2HD LYS 11 10.401 -4.006 4.311
18 HD3 LYS 11 1HD LYS 11 11.573 -5.202 4.861
19 HE2 LYS 11 2HE LYS 11 11.551 -4.201 2.012
20 HE3 LYS 11 1HE LYS 11 12.444 -3.365 3.281
21 HZ1 LYS 11 3HZ LYS 11 12.764 -6.251 2.678
22 HZ2 LYS 11 1HZ LYS 11 13.728 -5.299 3.700
23 HZ3 LYS 11 2HZ LYS 11 13.755 -5.038 2.020
24 H LYS 12 H LYS 12 5.854 -7.358 2.416
25 HA LYS 12 HA LYS 12 4.594 -6.015 1.009
26 HB2 LYS 12 2HB LYS 12 4.925 -4.178 3.393
27 HB3 LYS 12 1HB LYS 12 3.673 -4.045 2.161
28 HG2 LYS 12 2HG LYS 12 2.474 -5.304 3.660
29 HG3 LYS 12 1HG LYS 12 3.312 -6.633 2.862
30 HD2 LYS 12 2HD LYS 12 3.574 -6.941 5.240
31 HD3 LYS 12 1HD LYS 12 5.132 -6.425 4.601
32 HE2 LYS 12 2HE LYS 12 5.052 -4.399 5.677
33 HE3 LYS 12 1HE LYS 12 3.306 -4.247 5.487
34 HZ1 LYS 12 3HZ LYS 12 3.621 -6.403 7.126
35 HZ2 LYS 12 1HZ LYS 12 3.180 -4.838 7.609
36 HZ3 LYS 12 2HZ LYS 12 4.810 -5.317 7.667
37 H TYR 13 H TYR 13 4.534 -3.146 0.935
38 HA TYR 13 HA TYR 13 7.164 -2.556 -0.296
39 HB2 TYR 13 2HB TYR 13 4.483 -1.545 -1.265
40 HB3 TYR 13 1HB TYR 13 6.048 -1.347 -2.051
41 HD1 TYR 13 2HD TYR 13 3.339 -3.714 -1.250
42 HD2 TYR 13 1HD TYR 13 7.125 -3.203 -3.214
43 HE1 TYR 13 2HE TYR 13 3.021 -5.876 -2.423
44 HE2 TYR 13 1HE TYR 13 6.808 -5.365 -4.387
45 HH TYR 13 HH TYR 13 4.163 -7.519 -3.584
46 H ASP 14 H ASP 14 7.716 -0.269 -0.374
47 HA ASP 14 HA ASP 14 6.799 1.119 2.047
48 HB2 ASP 14 2HB ASP 14 8.777 2.621 1.517
49 HB3 ASP 14 1HB ASP 14 9.170 0.952 1.922
50 H LEU 15 H LEU 15 5.084 2.396 1.739
51 HA LEU 15 HA LEU 15 4.777 3.843 -0.801
52 HB2 LEU 15 2HB LEU 15 2.799 3.886 1.466
53 HB3 LEU 15 1HB LEU 15 2.510 4.092 -0.261
54 HG LEU 15 HG LEU 15 3.327 1.523 1.126
55 HD11 LEU 15 1HD1 LEU 15 1.007 1.881 1.497
56 HD12 LEU 15 2HD1 LEU 15 1.077 0.811 0.096
57 HD13 LEU 15 3HD1 LEU 15 0.767 2.533 -0.124
58 HD21 LEU 15 3HD2 LEU 15 4.379 1.563 -1.038
59 HD22 LEU 15 1HD2 LEU 15 2.929 2.224 -1.795
60 HD23 LEU 15 2HD2 LEU 15 2.933 0.565 -1.198
61 H SER 16 H SER 16 6.879 4.675 0.897
62 HA SER 16 HA SER 16 6.550 6.625 2.738
63 HB2 SER 16 2HB SER 16 8.737 5.943 1.787
64 HB3 SER 16 1HB SER 16 8.376 6.876 0.337
65 HG SER 16 HG SER 16 8.526 7.868 2.998
66 H LYS 17 H LYS 17 5.851 6.913 -0.702
67 HA LYS 17 HA LYS 17 4.174 9.223 -0.195
68 HB2 LYS 17 2HB LYS 17 5.341 10.615 -1.926
69 HB3 LYS 17 1HB LYS 17 6.268 10.383 -0.445
70 HG2 LYS 17 2HG LYS 17 6.895 8.201 -2.184
71 HG3 LYS 17 1HG LYS 17 7.007 9.681 -3.137
72 HD2 LYS 17 2HD LYS 17 8.473 10.674 -1.402
73 HD3 LYS 17 1HD LYS 17 8.388 9.168 -0.485
74 HE2 LYS 17 2HE LYS 17 9.485 7.945 -2.247
75 HE3 LYS 17 1HE LYS 17 9.372 9.320 -3.345
76 HZ1 LYS 17 3HZ LYS 17 11.078 10.379 -2.347
77 HZ2 LYS 17 1HZ LYS 17 11.529 8.803 -1.916
78 HZ3 LYS 17 2HZ LYS 17 10.707 9.783 -0.799
79 H TRP 18 H TRP 18 2.460 9.145 -1.503
80 HA TRP 18 HA TRP 18 2.691 7.890 -4.151
81 HB2 TRP 18 2HB TRP 18 1.045 6.904 -1.858
82 HB3 TRP 18 1HB TRP 18 0.347 6.818 -3.474
83 HD1 TRP 18 HD TRP 18 3.613 5.792 -1.674
84 HE1 TRP 18 1HE TRP 18 4.473 3.615 -2.754
85 HE3 TRP 18 3HE TRP 18 0.140 5.213 -5.371
86 HZ2 TRP 18 2HZ TRP 18 3.778 1.858 -4.902
87 HZ3 TRP 18 3HZ TRP 18 0.261 3.281 -6.919
88 HH2 TRP 18 HH TRP 18 2.073 1.603 -6.688
89 H LYS 19 H LYS 19 0.616 8.210 -5.407
90 HA LYS 19 HA LYS 19 -0.430 10.919 -4.845
91 HB2 LYS 19 2HB LYS 19 -0.109 9.370 -7.422
92 HB3 LYS 19 1HB LYS 19 -1.035 10.863 -7.309
93 HG2 LYS 19 2HG LYS 19 1.072 11.654 -7.946
94 HG3 LYS 19 1HG LYS 19 1.136 11.828 -6.194
95 HD2 LYS 19 2HD LYS 19 2.389 9.773 -5.967
96 HD3 LYS 19 1HD LYS 19 2.166 9.391 -7.674
97 HE2 LYS 19 2HE LYS 19 4.378 10.298 -7.456
98 HE3 LYS 19 1HE LYS 19 3.388 11.553 -8.203
99 HZ1 LYS 19 3HZ LYS 19 4.333 11.372 -5.411
100 HZ2 LYS 19 1HZ LYS 19 3.009 12.346 -5.829
101 HZ3 LYS 19 2HZ LYS 19 4.531 12.646 -6.519
102 H TYR 20 H TYR 20 -2.597 11.290 -4.736
103 HA TYR 20 HA TYR 20 -4.345 9.307 -3.907
104 HB2 TYR 20 2HB TYR 20 -4.775 11.707 -3.594
105 HB3 TYR 20 1HB TYR 20 -5.041 11.888 -5.328
106 HD1 TYR 20 2HD TYR 20 -6.952 10.679 -6.428
107 HD2 TYR 20 1HD TYR 20 -6.474 10.825 -2.162
108 HE1 TYR 20 2HE TYR 20 -9.320 9.996 -6.139
109 HE2 TYR 20 1HE TYR 20 -8.840 10.142 -1.873
110 HH TYR 20 HH TYR 20 -10.612 9.127 -3.021
111 H ALA 21 H ALA 21 -3.496 10.308 -7.145
112 HA ALA 21 HA ALA 21 -5.661 8.899 -8.429
113 HB1 ALA 21 1HB ALA 21 -3.075 9.894 -9.647
114 HB2 ALA 21 2HB ALA 21 -4.511 10.893 -9.424
115 HB3 ALA 21 3HB ALA 21 -4.567 9.496 -10.499
116 H GLU 22 H GLU 22 -2.256 8.279 -7.713
117 HA GLU 22 HA GLU 22 -2.075 5.844 -9.187
118 HB2 GLU 22 2HB GLU 22 -0.432 7.024 -6.945
119 HB3 GLU 22 1HB GLU 22 -0.045 5.476 -7.697
120 HG2 GLU 22 2HG GLU 22 -0.433 8.008 -9.303
121 HG3 GLU 22 1HG GLU 22 1.140 7.515 -8.678
122 H LEU 23 H LEU 23 -2.811 6.633 -5.815
123 HA LEU 23 HA LEU 23 -2.865 3.995 -4.815
124 HB2 LEU 23 2HB LEU 23 -4.396 6.445 -3.912
125 HB3 LEU 23 1HB LEU 23 -4.230 4.958 -2.980
126 HG LEU 23 HG LEU 23 -1.880 6.600 -3.960
127 HD11 LEU 23 1HD1 LEU 23 -1.717 7.483 -1.695
128 HD12 LEU 23 2HD1 LEU 23 -3.112 6.529 -1.189
129 HD13 LEU 23 3HD1 LEU 23 -3.318 7.850 -2.340
130 HD21 LEU 23 3HD2 LEU 23 -1.061 4.450 -3.508
131 HD22 LEU 23 1HD2 LEU 23 -2.229 4.167 -2.215
132 HD23 LEU 23 2HD2 LEU 23 -0.859 5.245 -1.948
133 H ARG 24 H ARG 24 -5.509 6.085 -5.986
134 HA ARG 24 HA ARG 24 -7.526 4.097 -5.710
135 HB2 ARG 24 2HB ARG 24 -7.852 6.624 -5.889
136 HB3 ARG 24 1HB ARG 24 -7.603 6.429 -7.624
137 HG2 ARG 24 2HG ARG 24 -9.909 6.205 -7.525
138 HG3 ARG 24 1HG ARG 24 -9.432 4.520 -7.336
139 HD2 ARG 24 2HD ARG 24 -9.397 5.081 -4.781
140 HD3 ARG 24 1HD ARG 24 -10.391 6.458 -5.244
141 HE ARG 24 HE ARG 24 -11.683 4.410 -6.437
142 HH11 ARG 24 1HH2 ARG 24 -10.393 4.867 -3.258
143 HH12 ARG 24 2HH2 ARG 24 -11.572 3.860 -2.486
144 HH21 ARG 24 1HH1 ARG 24 -13.232 3.087 -5.430
145 HH22 ARG 24 2HH1 ARG 24 -13.179 2.853 -3.715
146 H ASP 25 H ASP 25 -5.360 5.024 -8.328
147 HA ASP 25 HA ASP 25 -6.645 3.483 -10.353
148 HB2 ASP 25 2HB ASP 25 -3.892 4.683 -10.082
149 HB3 ASP 25 1HB ASP 25 -4.370 3.743 -11.491
150 H THR 26 H THR 26 -3.815 2.904 -8.269
151 HA THR 26 HA THR 26 -3.027 0.433 -9.259
152 HB THR 26 HB THR 26 -3.013 1.282 -6.353
153 HG1 THR 26 1HG THR 26 -1.758 2.247 -8.533
154 HG21 THR 26 3HG2 THR 26 -1.368 -0.699 -7.949
155 HG22 THR 26 1HG2 THR 26 -2.473 -1.066 -6.626
156 HG23 THR 26 2HG2 THR 26 -0.980 -0.185 -6.307
157 H ILE 27 H ILE 27 -5.648 1.237 -7.052
158 HA ILE 27 HA ILE 27 -6.259 -1.511 -6.421
159 HB ILE 27 HB ILE 27 -7.870 1.022 -6.014
160 HG12 ILE 27 2HG1 ILE 27 -6.270 -0.575 -3.997
161 HG13 ILE 27 1HG1 ILE 27 -5.602 0.813 -4.856
162 HG21 ILE 27 1HG2 ILE 27 -9.407 -0.778 -5.905
163 HG22 ILE 27 2HG2 ILE 27 -8.947 -0.498 -4.225
164 HG23 ILE 27 3HG2 ILE 27 -8.236 -1.840 -5.123
165 HD11 ILE 27 3HD1 ILE 27 -8.204 0.991 -3.333
166 HD12 ILE 27 1HD1 ILE 27 -7.168 2.308 -3.882
167 HD13 ILE 27 2HD1 ILE 27 -6.649 1.274 -2.551
168 H ASN 28 H ASN 28 -7.300 0.867 -8.776
169 HA ASN 28 HA ASN 28 -9.426 -0.911 -9.752
170 HB2 ASN 28 2HB ASN 28 -8.669 1.943 -10.381
171 HB3 ASN 28 1HB ASN 28 -9.887 1.053 -11.295
172 HD21 ASN 28 1HD2 ASN 28 -9.083 1.863 -7.866
173 HD22 ASN 28 2HD2 ASN 28 -10.701 2.012 -7.377
174 H THR 29 H THR 29 -6.506 -1.474 -10.047
175 HA THR 29 HA THR 29 -6.577 -2.078 -12.901
176 HB THR 29 HB THR 29 -4.252 -1.176 -13.211
177 HG1 THR 29 1HG THR 29 -3.705 -1.001 -11.026
178 HG21 THR 29 3HG2 THR 29 -4.985 1.060 -13.651
179 HG22 THR 29 1HG2 THR 29 -6.233 0.963 -12.410
180 HG23 THR 29 2HG2 THR 29 -6.389 0.020 -13.892
181 H SER 30 H SER 30 -4.460 -2.106 -10.024
182 HA SER 30 HA SER 30 -3.388 -4.709 -10.805
183 HB2 SER 30 2HB SER 30 -2.086 -2.704 -9.734
184 HB3 SER 30 1HB SER 30 -2.741 -3.322 -8.221
185 HG SER 30 HG SER 30 -1.540 -5.074 -10.064
186 H CYS 31 H CYS 31 -3.052 -6.200 -8.741
187 HA CYS 31 HA CYS 31 -5.317 -6.262 -6.941
188 HB2 CYS 31 2HB CYS 31 -6.123 -7.283 -9.139
189 HB3 CYS 31 1HB CYS 31 -4.988 -8.597 -8.825
190 HG CYS 31 HG CYS 31 -7.425 -9.080 -7.772
191 H ASP 32 H ASP 32 -4.560 -6.963 -5.059
192 HA ASP 32 HA ASP 32 -3.011 -9.312 -4.731
193 HB2 ASP 32 2HB ASP 32 -1.375 -7.438 -5.669
194 HB3 ASP 32 1HB ASP 32 -1.372 -6.923 -3.985
195 H ILE 33 H ILE 33 -2.639 -9.808 -2.516
196 HA ILE 33 HA ILE 33 -4.530 -8.553 -0.734
197 HB ILE 33 HB ILE 33 -2.452 -10.621 -0.012
198 HG12 ILE 33 2HG1 ILE 33 -3.580 -11.484 -1.967
199 HG13 ILE 33 1HG1 ILE 33 -4.284 -12.279 -0.560
200 HG21 ILE 33 1HG2 ILE 33 -4.283 -11.297 1.580
201 HG22 ILE 33 2HG2 ILE 33 -5.179 -9.866 1.072
202 HG23 ILE 33 3HG2 ILE 33 -3.625 -9.690 1.886
203 HD11 ILE 33 3HD1 ILE 33 -6.160 -11.635 -1.843
204 HD12 ILE 33 1HD1 ILE 33 -5.456 -10.070 -2.247
205 HD13 ILE 33 2HD1 ILE 33 -6.043 -10.380 -0.612
206 H GLU 34 H GLU 34 -1.329 -7.953 -1.600
207 HA GLU 34 HA GLU 34 -0.637 -6.756 0.999
208 HB2 GLU 34 2HB GLU 34 1.126 -6.938 -1.445
209 HB3 GLU 34 1HB GLU 34 1.612 -6.697 0.234
210 HG2 GLU 34 2HG GLU 34 0.373 -9.199 -0.944
211 HG3 GLU 34 1HG GLU 34 2.032 -9.014 -0.378
212 H LEU 35 H LEU 35 -0.353 -5.836 -2.450
213 HA LEU 35 HA LEU 35 0.059 -3.115 -2.054
214 HB2 LEU 35 2HB LEU 35 -1.209 -4.644 -4.321
215 HB3 LEU 35 1HB LEU 35 -1.007 -2.896 -4.383
216 HG LEU 35 HG LEU 35 1.255 -4.844 -3.855
217 HD11 LEU 35 1HD1 LEU 35 1.900 -4.570 -6.153
218 HD12 LEU 35 2HD1 LEU 35 0.667 -3.337 -6.414
219 HD13 LEU 35 3HD1 LEU 35 0.194 -5.015 -6.154
220 HD21 LEU 35 3HD2 LEU 35 2.440 -2.604 -4.758
221 HD22 LEU 35 1HD2 LEU 35 2.078 -2.839 -3.049
222 HD23 LEU 35 2HD2 LEU 35 1.001 -1.868 -4.053
223 H LEU 36 H LEU 36 -3.047 -4.771 -2.678
224 HA LEU 36 HA LEU 36 -4.690 -2.515 -2.507
225 HB2 LEU 36 2HB LEU 36 -5.317 -5.362 -1.680
226 HB3 LEU 36 1HB LEU 36 -6.509 -4.098 -1.984
227 HG LEU 36 HG LEU 36 -4.515 -5.161 -4.010
228 HD11 LEU 36 1HD1 LEU 36 -7.463 -5.633 -3.539
229 HD12 LEU 36 2HD1 LEU 36 -6.180 -6.829 -3.718
230 HD13 LEU 36 3HD1 LEU 36 -6.722 -5.902 -5.116
231 HD21 LEU 36 3HD2 LEU 36 -6.248 -3.805 -5.503
232 HD22 LEU 36 1HD2 LEU 36 -4.892 -2.985 -4.733
233 HD23 LEU 36 2HD2 LEU 36 -6.495 -2.906 -4.006
234 H ALA 37 H ALA 37 -3.718 -4.792 0.052
235 HA ALA 37 HA ALA 37 -5.099 -3.460 2.142
236 HB1 ALA 37 1HB ALA 37 -4.209 -5.823 2.214
237 HB2 ALA 37 2HB ALA 37 -3.839 -4.852 3.638
238 HB3 ALA 37 3HB ALA 37 -2.597 -5.138 2.417
239 H ALA 38 H ALA 38 -1.908 -3.084 0.720
240 HA ALA 38 HA ALA 38 -0.930 -1.292 2.747
241 HB1 ALA 38 1HB ALA 38 0.451 -2.754 1.135
242 HB2 ALA 38 2HB ALA 38 1.012 -1.108 1.425
243 HB3 ALA 38 3HB ALA 38 0.144 -1.495 -0.060
244 H CYS 39 H CYS 39 -2.555 -0.970 -0.351
245 HA CYS 39 HA CYS 39 -2.162 1.851 -0.611
246 HB2 CYS 39 2HB CYS 39 -2.661 0.434 -2.551
247 HB3 CYS 39 1HB CYS 39 -4.237 0.039 -1.868
248 HG CYS 39 HG CYS 39 -3.457 2.758 -3.123
249 H ARG 40 H ARG 40 -4.958 -0.134 0.375
250 HA ARG 40 HA ARG 40 -6.778 1.875 0.919
251 HB2 ARG 40 2HB ARG 40 -6.318 -0.794 2.250
252 HB3 ARG 40 1HB ARG 40 -7.665 0.258 2.689
253 HG2 ARG 40 2HG ARG 40 -8.388 0.282 0.309
254 HG3 ARG 40 1HG ARG 40 -7.084 -0.841 -0.079
255 HD2 ARG 40 2HD ARG 40 -9.004 -2.208 0.228
256 HD3 ARG 40 1HD ARG 40 -8.078 -2.374 1.717
257 HE ARG 40 HE ARG 40 -9.850 -1.391 2.834
258 HH11 ARG 40 1HH2 ARG 40 -9.954 -0.619 -0.537
259 HH12 ARG 40 2HH2 ARG 40 -11.473 0.208 -0.442
260 HH21 ARG 40 1HH1 ARG 40 -11.842 -0.309 2.967
261 HH22 ARG 40 2HH1 ARG 40 -12.542 0.383 1.542
262 H GLU 41 H GLU 41 -4.044 0.788 2.852
263 HA GLU 41 HA GLU 41 -4.674 2.026 5.286
264 HB2 GLU 41 2HB GLU 41 -2.059 1.354 3.948
265 HB3 GLU 41 1HB GLU 41 -2.106 2.146 5.522
266 HG2 GLU 41 2HG GLU 41 -3.238 0.320 6.530
267 HG3 GLU 41 1HG GLU 41 -3.669 -0.377 4.970
268 H GLU 42 H GLU 42 -2.963 3.296 2.439
269 HA GLU 42 HA GLU 42 -2.500 5.877 3.591
270 HB2 GLU 42 2HB GLU 42 -2.298 4.729 0.816
271 HB3 GLU 42 1HB GLU 42 -2.126 6.463 1.084
272 HG2 GLU 42 2HG GLU 42 -0.544 4.454 2.685
273 HG3 GLU 42 1HG GLU 42 0.029 5.049 1.129
274 H PHE 43 H PHE 43 -4.839 4.602 1.233
275 HA PHE 43 HA PHE 43 -6.212 6.901 0.586
276 HB2 PHE 43 2HB PHE 43 -6.609 4.551 -0.291
277 HB3 PHE 43 1HB PHE 43 -7.581 4.270 1.153
278 HD1 PHE 43 1HD PHE 43 -7.331 6.140 -2.011
279 HD2 PHE 43 2HD PHE 43 -9.707 5.421 1.494
280 HE1 PHE 43 1HE PHE 43 -9.258 7.270 -3.087
281 HE2 PHE 43 2HE PHE 43 -11.635 6.550 0.420
282 HZ PHE 43 HZ PHE 43 -11.410 7.476 -1.871
283 H HIS 44 H HIS 44 -6.362 5.020 3.545
284 HA HIS 44 HA HIS 44 -8.688 6.296 4.612
285 HB2 HIS 44 2HB HIS 44 -7.575 4.049 5.301
286 HB3 HIS 44 1HB HIS 44 -6.524 5.053 6.296
287 HD2 HIS 44 2HD HIS 44 -9.613 6.985 6.611
288 HE1 HIS 44 1HE HIS 44 -10.199 3.868 9.396
289 HE2 HIS 44 2HE HIS 44 -11.020 6.150 8.644
290 H ARG 45 H ARG 45 -5.213 6.879 4.819
291 HA ARG 45 HA ARG 45 -5.365 8.904 6.824
292 HB2 ARG 45 2HB ARG 45 -3.238 8.315 4.753
293 HB3 ARG 45 1HB ARG 45 -3.049 9.446 6.094
294 HG2 ARG 45 2HG ARG 45 -3.690 7.485 7.625
295 HG3 ARG 45 1HG ARG 45 -3.428 6.450 6.222
296 HD2 ARG 45 2HD ARG 45 -1.387 6.595 7.594
297 HD3 ARG 45 1HD ARG 45 -1.130 7.314 6.007
298 HE ARG 45 HE ARG 45 -1.873 9.445 7.513
299 HH11 ARG 45 1HH2 ARG 45 0.431 6.896 7.917
300 HH12 ARG 45 2HH2 ARG 45 1.535 7.854 8.847
301 HH21 ARG 45 1HH1 ARG 45 -0.432 10.707 8.733
302 HH22 ARG 45 2HH1 ARG 45 1.046 10.012 9.310
303 H ARG 46 H ARG 46 -5.655 8.877 3.336
304 HA ARG 46 HA ARG 46 -5.269 11.630 2.850
305 HB2 ARG 46 2HB ARG 46 -7.055 9.707 1.337
306 HB3 ARG 46 1HB ARG 46 -6.416 11.235 0.733
307 HG2 ARG 46 2HG ARG 46 -4.492 9.173 1.768
308 HG3 ARG 46 1HG ARG 46 -5.190 8.955 0.165
309 HD2 ARG 46 2HD ARG 46 -4.271 10.988 -0.633
310 HD3 ARG 46 1HD ARG 46 -3.920 11.565 0.994
311 HE ARG 46 HE ARG 46 -2.439 9.255 0.730
312 HH11 ARG 46 1HH2 ARG 46 -2.781 12.245 -0.980
313 HH12 ARG 46 2HH2 ARG 46 -1.144 12.271 -1.542
314 HH21 ARG 46 1HH1 ARG 46 -0.290 9.282 -0.005
315 HH22 ARG 46 2HH1 ARG 46 0.268 10.592 -0.989
316 H LEU 47 H LEU 47 -8.061 9.782 3.926
317 HA LEU 47 HA LEU 47 -10.046 11.744 3.507
318 HB2 LEU 47 2HB LEU 47 -10.053 9.792 5.806
319 HB3 LEU 47 1HB LEU 47 -11.431 10.444 4.917
320 HG LEU 47 HG LEU 47 -9.362 8.475 3.917
321 HD11 LEU 47 1HD1 LEU 47 -11.397 7.742 5.303
322 HD12 LEU 47 2HD1 LEU 47 -11.188 6.961 3.736
323 HD13 LEU 47 3HD1 LEU 47 -12.375 8.251 3.926
324 HD21 LEU 47 3HD2 LEU 47 -10.820 8.586 1.794
325 HD22 LEU 47 1HD2 LEU 47 -9.710 9.929 2.066
326 HD23 LEU 47 2HD2 LEU 47 -11.425 10.114 2.434
327 H LYS 48 H LYS 48 -7.902 11.106 6.258
328 HA LYS 48 HA LYS 48 -9.011 13.073 7.980
329 HB2 LYS 48 2HB LYS 48 -6.312 11.722 7.888
330 HB3 LYS 48 1HB LYS 48 -6.763 12.874 9.146
331 HG2 LYS 48 2HG LYS 48 -8.641 11.487 9.817
332 HG3 LYS 48 1HG LYS 48 -8.348 10.378 8.477
333 HD2 LYS 48 2HD LYS 48 -6.286 9.628 9.418
334 HD3 LYS 48 1HD LYS 48 -6.262 10.946 10.592
335 HE2 LYS 48 2HE LYS 48 -8.072 10.011 11.830
336 HE3 LYS 48 1HE LYS 48 -8.473 8.884 10.534
337 HZ1 LYS 48 3HZ LYS 48 -5.820 8.814 11.819
338 HZ2 LYS 48 1HZ LYS 48 -6.630 7.584 10.981
339 HZ3 LYS 48 2HZ LYS 48 -7.146 8.030 12.536
340 H VAL 49 H VAL 49 -6.356 13.127 5.638
341 HA VAL 49 HA VAL 49 -6.487 16.066 5.638
342 HB VAL 49 HB VAL 49 -4.625 15.410 7.140
343 HG11 VAL 49 1HG1 VAL 49 -3.340 14.226 4.671
344 HG12 VAL 49 2HG1 VAL 49 -4.197 13.240 5.856
345 HG13 VAL 49 3HG1 VAL 49 -2.762 14.146 6.336
346 HG21 VAL 49 3HG2 VAL 49 -3.620 16.515 4.501
347 HG22 VAL 49 1HG2 VAL 49 -2.968 16.836 6.108
348 HG23 VAL 49 2HG2 VAL 49 -4.556 17.459 5.659
349 H TYR 50 H TYR 50 -6.368 16.924 3.640
350 HA TYR 50 HA TYR 50 -6.242 15.117 1.374
351 HB2 TYR 50 2HB TYR 50 -6.423 18.107 1.152
352 HB3 TYR 50 1HB TYR 50 -7.129 16.869 0.113
353 HD1 TYR 50 1HD TYR 50 -8.534 15.068 1.802
354 HD2 TYR 50 2HD TYR 50 -8.094 19.318 2.247
355 HE1 TYR 50 1HE TYR 50 -10.631 15.147 3.123
356 HE2 TYR 50 2HE TYR 50 -10.190 19.396 3.568
357 HH TYR 50 HH TYR 50 -11.612 16.732 4.916
358 H HIS 51 H HIS 51 -5.187 17.372 -0.308
359 HA HIS 51 HA HIS 51 -3.172 17.753 -1.368
360 HB2 HIS 51 2HB HIS 51 -3.180 19.337 0.611
361 HB3 HIS 51 1HB HIS 51 -2.158 18.167 1.448
362 HD2 HIS 51 2HD HIS 51 -0.796 17.768 -1.907
363 HE1 HIS 51 1HE HIS 51 1.115 21.292 -0.577
364 HE2 HIS 51 2HE HIS 51 1.159 19.448 -2.324
Start of MODEL 11
1 H1 GLY 9 H GLY 9 10.555 -13.342 -4.680
2 HA2 GLY 9 2HA GLY 9 9.479 -13.626 -2.136
3 HA3 GLY 9 1HA GLY 9 11.206 -13.929 -1.972
4 H THR 10 H THR 10 9.717 -11.732 -0.834
5 HA THR 10 HA THR 10 11.386 -9.553 -1.779
6 HB THR 10 HB THR 10 9.367 -9.448 -3.247
7 HG1 THR 10 1HG THR 10 10.575 -7.577 -2.068
8 HG21 THR 10 3HG2 THR 10 7.209 -9.011 -2.332
9 HG22 THR 10 1HG2 THR 10 7.868 -8.755 -0.716
10 HG23 THR 10 2HG2 THR 10 7.847 -10.374 -1.414
11 H LYS 11 H LYS 11 9.851 -7.523 -0.506
12 HA LYS 11 HA LYS 11 9.495 -8.354 2.265
13 HB2 LYS 11 2HB LYS 11 11.977 -7.847 1.869
14 HB3 LYS 11 1HB LYS 11 11.481 -6.168 1.665
15 HG2 LYS 11 2HG LYS 11 10.326 -6.325 3.907
16 HG3 LYS 11 1HG LYS 11 11.083 -7.906 4.112
17 HD2 LYS 11 2HD LYS 11 13.314 -6.739 3.659
18 HD3 LYS 11 1HD LYS 11 12.443 -5.218 3.859
19 HE2 LYS 11 2HE LYS 11 13.343 -5.736 6.010
20 HE3 LYS 11 1HE LYS 11 11.627 -6.135 6.098
21 HZ1 LYS 11 3HZ LYS 11 13.948 -7.928 5.958
22 HZ2 LYS 11 1HZ LYS 11 12.465 -8.451 5.320
23 HZ3 LYS 11 2HZ LYS 11 12.576 -8.014 6.957
24 H LYS 12 H LYS 12 7.357 -7.661 1.912
25 HA LYS 12 HA LYS 12 5.616 -6.154 1.655
26 HB2 LYS 12 2HB LYS 12 7.322 -4.312 3.313
27 HB3 LYS 12 1HB LYS 12 5.580 -4.570 3.385
28 HG2 LYS 12 2HG LYS 12 7.723 -6.554 4.205
29 HG3 LYS 12 1HG LYS 12 6.635 -5.681 5.285
30 HD2 LYS 12 2HD LYS 12 4.711 -6.765 3.995
31 HD3 LYS 12 1HD LYS 12 5.926 -7.822 3.274
32 HE2 LYS 12 2HE LYS 12 4.903 -8.868 5.268
33 HE3 LYS 12 1HE LYS 12 6.624 -8.567 5.516
34 HZ1 LYS 12 3HZ LYS 12 4.702 -6.495 6.299
35 HZ2 LYS 12 1HZ LYS 12 6.216 -6.871 6.966
36 HZ3 LYS 12 2HZ LYS 12 4.873 -7.860 7.297
37 H TYR 13 H TYR 13 5.735 -3.302 1.821
38 HA TYR 13 HA TYR 13 7.354 -2.485 -0.489
39 HB2 TYR 13 2HB TYR 13 4.391 -1.906 -0.368
40 HB3 TYR 13 1HB TYR 13 5.500 -1.602 -1.706
41 HD1 TYR 13 1HD TYR 13 6.457 -3.501 -3.003
42 HD2 TYR 13 2HD TYR 13 3.459 -4.091 0.018
43 HE1 TYR 13 1HE TYR 13 6.000 -5.769 -3.900
44 HE2 TYR 13 2HE TYR 13 3.003 -6.357 -0.880
45 HH TYR 13 HH TYR 13 3.946 -8.029 -2.216
46 H ASP 14 H ASP 14 7.507 -0.166 -0.718
47 HA ASP 14 HA ASP 14 7.015 1.253 1.836
48 HB2 ASP 14 2HB ASP 14 9.059 2.024 -0.241
49 HB3 ASP 14 1HB ASP 14 8.968 2.531 1.445
50 H LEU 15 H LEU 15 5.249 2.482 1.643
51 HA LEU 15 HA LEU 15 4.747 3.886 -0.907
52 HB2 LEU 15 2HB LEU 15 2.781 3.715 1.363
53 HB3 LEU 15 1HB LEU 15 2.471 3.937 -0.357
54 HG LEU 15 HG LEU 15 3.522 1.403 0.941
55 HD11 LEU 15 1HD1 LEU 15 1.284 0.533 0.063
56 HD12 LEU 15 2HD1 LEU 15 0.828 2.221 -0.170
57 HD13 LEU 15 3HD1 LEU 15 1.195 1.622 1.448
58 HD21 LEU 15 3HD2 LEU 15 2.858 2.111 -1.933
59 HD22 LEU 15 1HD2 LEU 15 3.103 0.461 -1.365
60 HD23 LEU 15 2HD2 LEU 15 4.428 1.622 -1.298
61 H SER 16 H SER 16 6.760 4.757 0.978
62 HA SER 16 HA SER 16 6.214 6.658 2.811
63 HB2 SER 16 2HB SER 16 8.491 6.308 2.279
64 HB3 SER 16 1HB SER 16 8.240 6.701 0.580
65 HG SER 16 HG SER 16 9.195 8.415 1.826
66 H LYS 17 H LYS 17 5.953 7.094 -0.699
67 HA LYS 17 HA LYS 17 4.128 9.349 -0.241
68 HB2 LYS 17 2HB LYS 17 6.700 9.470 -1.807
69 HB3 LYS 17 1HB LYS 17 5.357 10.559 -2.152
70 HG2 LYS 17 2HG LYS 17 5.397 11.439 0.095
71 HG3 LYS 17 1HG LYS 17 6.568 10.222 0.604
72 HD2 LYS 17 2HD LYS 17 8.193 11.150 -1.042
73 HD3 LYS 17 1HD LYS 17 7.035 12.425 -1.421
74 HE2 LYS 17 2HE LYS 17 8.473 11.927 1.188
75 HE3 LYS 17 1HE LYS 17 8.483 13.387 0.200
76 HZ1 LYS 17 3HZ LYS 17 6.093 12.295 1.583
77 HZ2 LYS 17 1HZ LYS 17 6.179 13.750 0.714
78 HZ3 LYS 17 2HZ LYS 17 7.048 13.575 2.164
79 H TRP 18 H TRP 18 2.407 9.231 -1.538
80 HA TRP 18 HA TRP 18 2.619 7.892 -4.144
81 HB2 TRP 18 2HB TRP 18 0.982 6.984 -1.814
82 HB3 TRP 18 1HB TRP 18 0.262 6.869 -3.416
83 HD1 TRP 18 HD TRP 18 3.566 5.864 -1.665
84 HE1 TRP 18 1HE TRP 18 4.371 3.641 -2.691
85 HE3 TRP 18 3HE TRP 18 -0.030 5.182 -5.224
86 HZ2 TRP 18 2HZ TRP 18 3.590 1.813 -4.745
87 HZ3 TRP 18 3HZ TRP 18 0.022 3.191 -6.700
88 HH2 TRP 18 HH TRP 18 1.825 1.505 -6.464
89 H LYS 19 H LYS 19 0.542 8.205 -5.408
90 HA LYS 19 HA LYS 19 -0.482 10.934 -4.899
91 HB2 LYS 19 2HB LYS 19 -0.571 9.443 -7.522
92 HB3 LYS 19 1HB LYS 19 -0.785 11.171 -7.244
93 HG2 LYS 19 2HG LYS 19 1.778 9.612 -6.785
94 HG3 LYS 19 1HG LYS 19 1.466 10.707 -8.133
95 HD2 LYS 19 2HD LYS 19 0.972 12.487 -6.318
96 HD3 LYS 19 1HD LYS 19 1.781 11.379 -5.209
97 HE2 LYS 19 2HE LYS 19 2.922 12.817 -7.597
98 HE3 LYS 19 1HE LYS 19 3.537 12.759 -5.946
99 HZ1 LYS 19 3HZ LYS 19 3.926 10.344 -6.303
100 HZ2 LYS 19 1HZ LYS 19 4.885 11.350 -7.274
101 HZ3 LYS 19 2HZ LYS 19 3.535 10.564 -7.941
102 H TYR 20 H TYR 20 -2.654 11.335 -4.864
103 HA TYR 20 HA TYR 20 -4.430 9.379 -4.006
104 HB2 TYR 20 2HB TYR 20 -4.757 11.854 -3.804
105 HB3 TYR 20 1HB TYR 20 -5.179 11.891 -5.517
106 HD1 TYR 20 2HD TYR 20 -7.217 10.758 -6.341
107 HD2 TYR 20 1HD TYR 20 -6.261 10.913 -2.156
108 HE1 TYR 20 2HE TYR 20 -9.540 10.090 -5.785
109 HE2 TYR 20 1HE TYR 20 -8.583 10.245 -1.600
110 HH TYR 20 HH TYR 20 -10.600 9.782 -2.392
111 H ALA 21 H ALA 21 -3.577 10.368 -7.256
112 HA ALA 21 HA ALA 21 -5.731 8.925 -8.522
113 HB1 ALA 21 1HB ALA 21 -4.513 10.961 -9.471
114 HB2 ALA 21 2HB ALA 21 -4.766 9.613 -10.580
115 HB3 ALA 21 3HB ALA 21 -3.184 9.863 -9.840
116 H GLU 22 H GLU 22 -2.303 8.367 -7.861
117 HA GLU 22 HA GLU 22 -2.058 5.961 -9.342
118 HB2 GLU 22 2HB GLU 22 -0.506 7.127 -7.033
119 HB3 GLU 22 1HB GLU 22 -0.081 5.578 -7.761
120 HG2 GLU 22 2HG GLU 22 -0.437 8.078 -9.420
121 HG3 GLU 22 1HG GLU 22 1.112 7.655 -8.693
122 H LEU 23 H LEU 23 -2.708 6.587 -5.898
123 HA LEU 23 HA LEU 23 -2.833 3.938 -5.018
124 HB2 LEU 23 2HB LEU 23 -4.454 6.309 -4.057
125 HB3 LEU 23 1HB LEU 23 -4.212 4.806 -3.169
126 HG LEU 23 HG LEU 23 -1.878 6.465 -4.128
127 HD11 LEU 23 1HD1 LEU 23 -3.575 6.795 -1.656
128 HD12 LEU 23 2HD1 LEU 23 -2.998 8.034 -2.769
129 HD13 LEU 23 3HD1 LEU 23 -1.872 7.256 -1.656
130 HD21 LEU 23 3HD2 LEU 23 -2.303 4.310 -2.041
131 HD22 LEU 23 1HD2 LEU 23 -0.858 5.318 -2.074
132 HD23 LEU 23 2HD2 LEU 23 -1.229 4.267 -3.439
133 H ARG 24 H ARG 24 -5.403 6.015 -6.334
134 HA ARG 24 HA ARG 24 -7.453 4.043 -6.113
135 HB2 ARG 24 2HB ARG 24 -7.775 6.558 -6.321
136 HB3 ARG 24 1HB ARG 24 -7.410 6.371 -8.036
137 HG2 ARG 24 2HG ARG 24 -9.720 6.150 -8.093
138 HG3 ARG 24 1HG ARG 24 -9.258 4.462 -7.877
139 HD2 ARG 24 2HD ARG 24 -9.566 4.685 -5.441
140 HD3 ARG 24 1HD ARG 24 -10.012 6.374 -5.648
141 HE ARG 24 HE ARG 24 -11.716 4.116 -6.052
142 HH11 ARG 24 1HH2 ARG 24 -10.921 7.277 -7.212
143 HH12 ARG 24 2HH2 ARG 24 -12.505 7.599 -7.836
144 HH21 ARG 24 1HH1 ARG 24 -13.796 4.528 -6.868
145 HH22 ARG 24 2HH1 ARG 24 -14.132 6.041 -7.643
146 H ASP 25 H ASP 25 -5.360 5.123 -8.770
147 HA ASP 25 HA ASP 25 -6.479 3.510 -10.788
148 HB2 ASP 25 2HB ASP 25 -4.957 5.367 -11.275
149 HB3 ASP 25 1HB ASP 25 -3.637 4.504 -10.489
150 H THR 26 H THR 26 -3.680 2.937 -8.656
151 HA THR 26 HA THR 26 -2.908 0.445 -9.610
152 HB THR 26 HB THR 26 -2.867 1.484 -6.767
153 HG1 THR 26 1HG THR 26 -1.604 2.760 -7.985
154 HG21 THR 26 3HG2 THR 26 -2.586 -0.885 -6.647
155 HG22 THR 26 1HG2 THR 26 -0.962 -0.202 -6.579
156 HG23 THR 26 2HG2 THR 26 -1.560 -0.905 -8.081
157 H ILE 27 H ILE 27 -5.353 1.234 -7.156
158 HA ILE 27 HA ILE 27 -6.042 -1.461 -6.561
159 HB ILE 27 HB ILE 27 -7.602 1.113 -6.221
160 HG12 ILE 27 2HG1 ILE 27 -6.182 -0.540 -4.122
161 HG13 ILE 27 1HG1 ILE 27 -5.360 0.748 -5.003
162 HG21 ILE 27 1HG2 ILE 27 -9.226 -0.610 -6.150
163 HG22 ILE 27 2HG2 ILE 27 -8.795 -0.357 -4.459
164 HG23 ILE 27 3HG2 ILE 27 -8.128 -1.729 -5.345
165 HD11 ILE 27 3HD1 ILE 27 -7.969 1.172 -3.530
166 HD12 ILE 27 1HD1 ILE 27 -6.889 2.404 -4.183
167 HD13 ILE 27 2HD1 ILE 27 -6.392 1.446 -2.788
168 H ASN 28 H ASN 28 -7.113 0.852 -8.976
169 HA ASN 28 HA ASN 28 -9.234 -0.956 -9.895
170 HB2 ASN 28 2HB ASN 28 -8.448 1.867 -10.616
171 HB3 ASN 28 1HB ASN 28 -9.639 0.953 -11.542
172 HD21 ASN 28 1HD2 ASN 28 -9.036 2.550 -8.449
173 HD22 ASN 28 2HD2 ASN 28 -10.629 2.428 -7.875
174 H THR 29 H THR 29 -6.327 -1.575 -10.152
175 HA THR 29 HA THR 29 -6.386 -2.268 -12.991
176 HB THR 29 HB THR 29 -3.973 -1.486 -13.210
177 HG1 THR 29 1HG THR 29 -3.150 -0.309 -11.657
178 HG21 THR 29 3HG2 THR 29 -6.039 0.681 -12.750
179 HG22 THR 29 1HG2 THR 29 -5.960 -0.320 -14.201
180 HG23 THR 29 2HG2 THR 29 -4.630 0.769 -13.808
181 H SER 30 H SER 30 -4.253 -2.290 -10.123
182 HA SER 30 HA SER 30 -3.274 -4.942 -10.807
183 HB2 SER 30 2HB SER 30 -1.955 -2.972 -9.702
184 HB3 SER 30 1HB SER 30 -2.697 -3.544 -8.211
185 HG SER 30 HG SER 30 -1.226 -5.141 -10.046
186 H CYS 31 H CYS 31 -3.054 -6.401 -8.681
187 HA CYS 31 HA CYS 31 -5.417 -6.388 -7.010
188 HB2 CYS 31 2HB CYS 31 -6.297 -7.419 -9.063
189 HB3 CYS 31 1HB CYS 31 -5.008 -8.621 -9.015
190 HG CYS 31 HG CYS 31 -7.533 -9.008 -7.616
191 H ASP 32 H ASP 32 -4.782 -7.055 -5.073
192 HA ASP 32 HA ASP 32 -3.297 -9.420 -4.604
193 HB2 ASP 32 2HB ASP 32 -1.576 -7.592 -5.484
194 HB3 ASP 32 1HB ASP 32 -1.660 -7.048 -3.811
195 H ILE 33 H ILE 33 -2.951 -9.809 -2.330
196 HA ILE 33 HA ILE 33 -4.943 -8.477 -0.691
197 HB ILE 33 HB ILE 33 -3.003 -10.620 0.181
198 HG12 ILE 33 2HG1 ILE 33 -4.041 -11.475 -1.822
199 HG13 ILE 33 1HG1 ILE 33 -4.874 -12.207 -0.451
200 HG21 ILE 33 1HG2 ILE 33 -4.932 -11.189 1.680
201 HG22 ILE 33 2HG2 ILE 33 -5.767 -9.756 1.078
202 HG23 ILE 33 3HG2 ILE 33 -4.261 -9.586 1.980
203 HD11 ILE 33 3HD1 ILE 33 -5.827 -9.980 -2.249
204 HD12 ILE 33 1HD1 ILE 33 -6.534 -10.232 -0.653
205 HD13 ILE 33 2HD1 ILE 33 -6.629 -11.504 -1.869
206 H GLU 34 H GLU 34 -1.674 -8.050 -1.389
207 HA GLU 34 HA GLU 34 -1.054 -6.842 1.220
208 HB2 GLU 34 2HB GLU 34 0.803 -7.130 -1.140
209 HB3 GLU 34 1HB GLU 34 1.227 -6.883 0.554
210 HG2 GLU 34 2HG GLU 34 0.078 -9.108 1.031
211 HG3 GLU 34 1HG GLU 34 0.034 -9.357 -0.713
212 H LEU 35 H LEU 35 -0.601 -5.979 -2.226
213 HA LEU 35 HA LEU 35 -0.083 -3.272 -1.848
214 HB2 LEU 35 2HB LEU 35 -1.313 -4.798 -4.136
215 HB3 LEU 35 1HB LEU 35 -1.094 -3.052 -4.220
216 HG LEU 35 HG LEU 35 1.131 -5.022 -3.609
217 HD11 LEU 35 1HD1 LEU 35 0.688 -3.488 -6.180
218 HD12 LEU 35 2HD1 LEU 35 0.111 -5.139 -5.949
219 HD13 LEU 35 3HD1 LEU 35 1.839 -4.791 -5.879
220 HD21 LEU 35 3HD2 LEU 35 2.358 -2.780 -4.484
221 HD22 LEU 35 1HD2 LEU 35 1.977 -3.041 -2.784
222 HD23 LEU 35 2HD2 LEU 35 0.918 -2.046 -3.780
223 H LEU 36 H LEU 36 -3.226 -4.811 -2.560
224 HA LEU 36 HA LEU 36 -4.795 -2.501 -2.471
225 HB2 LEU 36 2HB LEU 36 -5.531 -5.316 -1.631
226 HB3 LEU 36 1HB LEU 36 -6.680 -4.019 -1.959
227 HG LEU 36 HG LEU 36 -4.685 -5.144 -3.950
228 HD11 LEU 36 1HD1 LEU 36 -6.531 -6.232 -4.988
229 HD12 LEU 36 2HD1 LEU 36 -7.702 -5.338 -4.020
230 HD13 LEU 36 3HD1 LEU 36 -6.701 -6.580 -3.269
231 HD21 LEU 36 3HD2 LEU 36 -6.373 -3.753 -5.469
232 HD22 LEU 36 1HD2 LEU 36 -4.995 -2.967 -4.697
233 HD23 LEU 36 2HD2 LEU 36 -6.602 -2.838 -3.980
234 H ALA 37 H ALA 37 -4.002 -4.775 0.155
235 HA ALA 37 HA ALA 37 -5.395 -3.372 2.180
236 HB1 ALA 37 1HB ALA 37 -3.050 -5.277 2.308
237 HB2 ALA 37 2HB ALA 37 -4.752 -5.658 2.565
238 HB3 ALA 37 3HB ALA 37 -3.886 -4.659 3.733
239 H ALA 38 H ALA 38 -2.148 -3.101 0.859
240 HA ALA 38 HA ALA 38 -1.207 -1.268 2.868
241 HB1 ALA 38 1HB ALA 38 0.786 -1.160 1.606
242 HB2 ALA 38 2HB ALA 38 -0.036 -1.598 0.109
243 HB3 ALA 38 3HB ALA 38 0.206 -2.809 1.368
244 H CYS 39 H CYS 39 -2.774 -1.019 -0.253
245 HA CYS 39 HA CYS 39 -2.276 1.769 -0.643
246 HB2 CYS 39 2HB CYS 39 -2.960 -0.020 -2.383
247 HB3 CYS 39 1HB CYS 39 -4.606 0.274 -1.824
248 HG CYS 39 HG CYS 39 -3.901 1.922 -3.838
249 H ARG 40 H ARG 40 -5.161 -0.052 0.398
250 HA ARG 40 HA ARG 40 -6.865 2.091 0.865
251 HB2 ARG 40 2HB ARG 40 -6.647 -0.552 2.318
252 HB3 ARG 40 1HB ARG 40 -7.990 0.575 2.512
253 HG2 ARG 40 2HG ARG 40 -8.607 0.372 0.200
254 HG3 ARG 40 1HG ARG 40 -7.127 -0.510 -0.179
255 HD2 ARG 40 2HD ARG 40 -8.915 -2.122 -0.014
256 HD3 ARG 40 1HD ARG 40 -7.888 -2.315 1.405
257 HE ARG 40 HE ARG 40 -9.793 -0.579 2.267
258 HH11 ARG 40 1HH2 ARG 40 -9.860 -3.618 0.614
259 HH12 ARG 40 2HH2 ARG 40 -11.374 -4.111 1.294
260 HH21 ARG 40 1HH1 ARG 40 -11.780 -1.219 3.162
261 HH22 ARG 40 2HH1 ARG 40 -12.461 -2.753 2.736
262 H GLU 41 H GLU 41 -4.237 0.852 2.840
263 HA GLU 41 HA GLU 41 -4.838 2.074 5.280
264 HB2 GLU 41 2HB GLU 41 -2.252 1.314 3.943
265 HB3 GLU 41 1HB GLU 41 -2.249 2.135 5.503
266 HG2 GLU 41 2HG GLU 41 -3.935 -0.322 5.030
267 HG3 GLU 41 1HG GLU 41 -2.248 -0.450 5.518
268 H GLU 42 H GLU 42 -2.847 3.335 2.596
269 HA GLU 42 HA GLU 42 -2.455 5.891 3.792
270 HB2 GLU 42 2HB GLU 42 -2.350 5.390 0.825
271 HB3 GLU 42 1HB GLU 42 -1.377 6.496 1.794
272 HG2 GLU 42 2HG GLU 42 -1.238 3.472 1.792
273 HG3 GLU 42 1HG GLU 42 0.002 4.591 1.227
274 H PHE 43 H PHE 43 -4.739 4.640 1.389
275 HA PHE 43 HA PHE 43 -5.982 6.960 0.570
276 HB2 PHE 43 2HB PHE 43 -6.460 4.575 -0.179
277 HB3 PHE 43 1HB PHE 43 -7.498 4.438 1.240
278 HD1 PHE 43 1HD PHE 43 -9.418 6.069 1.528
279 HD2 PHE 43 2HD PHE 43 -7.189 5.730 -2.128
280 HE1 PHE 43 1HE PHE 43 -11.244 7.221 0.308
281 HE2 PHE 43 2HE PHE 43 -9.015 6.883 -3.348
282 HZ PHE 43 HZ PHE 43 -11.042 7.629 -2.130
283 H HIS 44 H HIS 44 -6.423 5.182 3.584
284 HA HIS 44 HA HIS 44 -8.661 6.711 4.492
285 HB2 HIS 44 2HB HIS 44 -6.702 4.894 5.898
286 HB3 HIS 44 1HB HIS 44 -8.034 5.693 6.733
287 HD2 HIS 44 2HD HIS 44 -8.879 4.464 3.149
288 HE1 HIS 44 1HE HIS 44 -10.555 1.681 5.846
289 HE2 HIS 44 2HE HIS 44 -10.462 2.404 3.413
290 H ARG 45 H ARG 45 -5.167 6.993 4.839
291 HA ARG 45 HA ARG 45 -5.136 8.913 6.909
292 HB2 ARG 45 2HB ARG 45 -3.176 8.257 4.709
293 HB3 ARG 45 1HB ARG 45 -2.855 9.491 5.929
294 HG2 ARG 45 2HG ARG 45 -3.174 7.820 7.713
295 HG3 ARG 45 1HG ARG 45 -3.503 6.583 6.499
296 HD2 ARG 45 2HD ARG 45 -1.105 6.689 7.420
297 HD3 ARG 45 1HD ARG 45 -1.286 6.646 5.668
298 HE ARG 45 HE ARG 45 -1.146 9.315 6.808
299 HH11 ARG 45 1HH2 ARG 45 0.542 6.597 5.490
300 HH12 ARG 45 2HH2 ARG 45 1.929 7.516 5.009
301 HH21 ARG 45 1HH1 ARG 45 0.670 10.528 6.182
302 HH22 ARG 45 2HH1 ARG 45 2.003 9.741 5.400
303 H ARG 46 H ARG 46 -5.831 9.164 3.517
304 HA ARG 46 HA ARG 46 -5.307 11.953 3.230
305 HB2 ARG 46 2HB ARG 46 -7.356 10.466 1.604
306 HB3 ARG 46 1HB ARG 46 -6.272 11.766 1.104
307 HG2 ARG 46 2HG ARG 46 -5.531 8.901 1.738
308 HG3 ARG 46 1HG ARG 46 -5.397 9.719 0.184
309 HD2 ARG 46 2HD ARG 46 -3.848 11.385 1.478
310 HD3 ARG 46 1HD ARG 46 -3.727 10.085 2.658
311 HE ARG 46 HE ARG 46 -2.534 8.803 1.084
312 HH11 ARG 46 1HH2 ARG 46 -3.756 11.758 -0.246
313 HH12 ARG 46 2HH2 ARG 46 -2.772 11.685 -1.670
314 HH21 ARG 46 1HH1 ARG 46 -1.242 8.705 -0.782
315 HH22 ARG 46 2HH1 ARG 46 -1.351 9.957 -1.973
316 H LEU 47 H LEU 47 -8.255 10.079 3.904
317 HA LEU 47 HA LEU 47 -10.057 12.235 3.963
318 HB2 LEU 47 2HB LEU 47 -10.034 9.508 5.233
319 HB3 LEU 47 1HB LEU 47 -11.327 10.651 5.596
320 HG LEU 47 HG LEU 47 -11.914 10.823 3.250
321 HD11 LEU 47 1HD1 LEU 47 -9.807 10.721 2.147
322 HD12 LEU 47 2HD1 LEU 47 -10.667 9.271 1.625
323 HD13 LEU 47 3HD1 LEU 47 -9.420 9.158 2.868
324 HD21 LEU 47 3HD2 LEU 47 -11.441 7.896 3.885
325 HD22 LEU 47 1HD2 LEU 47 -12.705 8.571 2.859
326 HD23 LEU 47 2HD2 LEU 47 -12.740 8.850 4.601
327 H LYS 48 H LYS 48 -8.058 10.798 6.516
328 HA LYS 48 HA LYS 48 -8.982 12.096 8.752
329 HB2 LYS 48 2HB LYS 48 -6.141 11.461 7.938
330 HB3 LYS 48 1HB LYS 48 -6.574 12.057 9.541
331 HG2 LYS 48 2HG LYS 48 -8.070 9.702 8.431
332 HG3 LYS 48 1HG LYS 48 -6.443 9.446 9.058
333 HD2 LYS 48 2HD LYS 48 -8.402 11.014 10.713
334 HD3 LYS 48 1HD LYS 48 -8.533 9.257 10.670
335 HE2 LYS 48 2HE LYS 48 -5.894 10.611 11.220
336 HE3 LYS 48 1HE LYS 48 -7.048 10.289 12.513
337 HZ1 LYS 48 3HZ LYS 48 -6.408 8.104 10.680
338 HZ2 LYS 48 1HZ LYS 48 -6.774 8.056 12.335
339 HZ3 LYS 48 2HZ LYS 48 -5.229 8.543 11.822
340 H VAL 49 H VAL 49 -6.121 13.301 7.003
341 HA VAL 49 HA VAL 49 -6.845 16.037 7.818
342 HB VAL 49 HB VAL 49 -4.577 15.222 8.381
343 HG11 VAL 49 1HG1 VAL 49 -3.006 14.607 6.712
344 HG12 VAL 49 2HG1 VAL 49 -4.016 15.237 5.411
345 HG13 VAL 49 3HG1 VAL 49 -4.487 13.763 6.259
346 HG21 VAL 49 3HG2 VAL 49 -5.046 17.639 7.882
347 HG22 VAL 49 1HG2 VAL 49 -4.545 17.349 6.217
348 HG23 VAL 49 2HG2 VAL 49 -3.384 17.167 7.531
349 H TYR 50 H TYR 50 -7.578 17.478 6.387
350 HA TYR 50 HA TYR 50 -8.186 16.738 3.714
351 HB2 TYR 50 2HB TYR 50 -8.534 19.359 3.572
352 HB3 TYR 50 1HB TYR 50 -9.642 18.353 4.505
353 HD1 TYR 50 2HD TYR 50 -9.451 18.216 6.975
354 HD2 TYR 50 1HD TYR 50 -7.012 20.888 4.658
355 HE1 TYR 50 2HE TYR 50 -8.870 19.471 9.033
356 HE2 TYR 50 1HE TYR 50 -6.429 22.142 6.717
357 HH TYR 50 HH TYR 50 -8.084 21.665 9.686
358 H HIS 51 H HIS 51 -5.971 16.024 3.129
359 HA HIS 51 HA HIS 51 -3.916 16.323 2.124
360 HB2 HIS 51 2HB HIS 51 -5.619 17.152 0.418
361 HB3 HIS 51 1HB HIS 51 -5.191 18.785 0.928
362 HD2 HIS 51 2HD HIS 51 -3.799 15.989 -1.347
363 HE1 HIS 51 1HE HIS 51 -0.785 18.928 -1.044
364 HE2 HIS 51 2HE HIS 51 -1.504 16.825 -2.270
Start of MODEL 12
1 H1 GLY 9 H GLY 9 9.795 -16.122 1.500
2 HA2 GLY 9 2HA GLY 9 6.946 -15.630 1.535
3 HA3 GLY 9 1HA GLY 9 7.927 -16.202 2.881
4 H THR 10 H THR 10 9.125 -13.424 1.287
5 HA THR 10 HA THR 10 7.761 -11.546 3.069
6 HB THR 10 HB THR 10 10.054 -10.608 3.720
7 HG1 THR 10 1HG THR 10 11.260 -11.828 2.240
8 HG21 THR 10 3HG2 THR 10 8.546 -11.853 5.259
9 HG22 THR 10 1HG2 THR 10 10.250 -12.149 5.607
10 HG23 THR 10 2HG2 THR 10 9.302 -13.360 4.744
11 H LYS 11 H LYS 11 7.189 -9.871 1.855
12 HA LYS 11 HA LYS 11 9.021 -8.460 0.188
13 HB2 LYS 11 2HB LYS 11 8.520 -10.446 -1.258
14 HB3 LYS 11 1HB LYS 11 6.830 -9.944 -1.273
15 HG2 LYS 11 2HG LYS 11 7.452 -7.785 -2.255
16 HG3 LYS 11 1HG LYS 11 9.156 -8.234 -2.200
17 HD2 LYS 11 2HD LYS 11 7.244 -10.066 -3.612
18 HD3 LYS 11 1HD LYS 11 7.734 -8.579 -4.420
19 HE2 LYS 11 2HE LYS 11 10.028 -9.190 -4.400
20 HE3 LYS 11 1HE LYS 11 9.763 -10.460 -3.205
21 HZ1 LYS 11 3HZ LYS 11 8.144 -11.308 -5.094
22 HZ2 LYS 11 1HZ LYS 11 9.790 -11.721 -5.067
23 HZ3 LYS 11 2HZ LYS 11 9.246 -10.467 -6.077
24 H LYS 12 H LYS 12 8.339 -6.612 1.173
25 HA LYS 12 HA LYS 12 5.475 -5.906 0.939
26 HB2 LYS 12 2HB LYS 12 6.021 -4.195 2.703
27 HB3 LYS 12 1HB LYS 12 6.174 -5.867 3.236
28 HG2 LYS 12 2HG LYS 12 8.621 -4.633 2.064
29 HG3 LYS 12 1HG LYS 12 8.114 -4.018 3.635
30 HD2 LYS 12 2HD LYS 12 8.071 -6.324 4.525
31 HD3 LYS 12 1HD LYS 12 8.597 -6.936 2.957
32 HE2 LYS 12 2HE LYS 12 10.131 -5.141 4.848
33 HE3 LYS 12 1HE LYS 12 10.571 -6.760 4.302
34 HZ1 LYS 12 3HZ LYS 12 10.720 -5.870 2.032
35 HZ2 LYS 12 1HZ LYS 12 11.824 -5.133 3.087
36 HZ3 LYS 12 2HZ LYS 12 10.409 -4.310 2.631
37 H TYR 13 H TYR 13 5.687 -3.176 1.281
38 HA TYR 13 HA TYR 13 7.490 -2.142 -0.773
39 HB2 TYR 13 2HB TYR 13 4.529 -1.628 -1.023
40 HB3 TYR 13 1HB TYR 13 5.802 -1.287 -2.195
41 HD1 TYR 13 2HD TYR 13 6.937 -3.153 -3.398
42 HD2 TYR 13 1HD TYR 13 3.554 -3.818 -0.836
43 HE1 TYR 13 2HE TYR 13 6.612 -5.395 -4.408
44 HE2 TYR 13 1HE TYR 13 3.229 -6.059 -1.846
45 HH TYR 13 HH TYR 13 4.355 -6.998 -4.636
46 H ASP 14 H ASP 14 7.956 0.011 -0.518
47 HA ASP 14 HA ASP 14 6.960 1.247 1.954
48 HB2 ASP 14 2HB ASP 14 9.158 2.311 0.188
49 HB3 ASP 14 1HB ASP 14 8.888 2.607 1.904
50 H LEU 15 H LEU 15 5.174 2.434 1.696
51 HA LEU 15 HA LEU 15 4.764 3.939 -0.794
52 HB2 LEU 15 2HB LEU 15 2.783 3.807 1.463
53 HB3 LEU 15 1HB LEU 15 2.490 3.998 -0.264
54 HG LEU 15 HG LEU 15 3.485 1.485 1.114
55 HD11 LEU 15 1HD1 LEU 15 0.850 2.314 -0.113
56 HD12 LEU 15 2HD1 LEU 15 1.148 1.697 1.513
57 HD13 LEU 15 3HD1 LEU 15 1.279 0.621 0.122
58 HD21 LEU 15 3HD2 LEU 15 4.500 1.644 -1.082
59 HD22 LEU 15 1HD2 LEU 15 2.968 2.136 -1.803
60 HD23 LEU 15 2HD2 LEU 15 3.166 0.495 -1.190
61 H SER 16 H SER 16 6.780 4.773 1.127
62 HA SER 16 HA SER 16 6.206 6.703 2.937
63 HB2 SER 16 2HB SER 16 8.298 7.763 2.390
64 HB3 SER 16 1HB SER 16 8.498 6.029 2.161
65 HG SER 16 HG SER 16 9.201 7.600 0.427
66 H LYS 17 H LYS 17 6.034 7.050 -0.577
67 HA LYS 17 HA LYS 17 4.318 9.407 -0.222
68 HB2 LYS 17 2HB LYS 17 6.907 9.341 -1.760
69 HB3 LYS 17 1HB LYS 17 5.621 10.474 -2.175
70 HG2 LYS 17 2HG LYS 17 5.668 11.449 0.033
71 HG3 LYS 17 1HG LYS 17 6.779 10.207 0.611
72 HD2 LYS 17 2HD LYS 17 8.519 10.998 -0.899
73 HD3 LYS 17 1HD LYS 17 7.412 12.178 -1.600
74 HE2 LYS 17 2HE LYS 17 7.150 13.129 0.758
75 HE3 LYS 17 1HE LYS 17 8.531 12.128 1.208
76 HZ1 LYS 17 3HZ LYS 17 9.579 14.042 0.596
77 HZ2 LYS 17 1HZ LYS 17 8.420 14.453 -0.573
78 HZ3 LYS 17 2HZ LYS 17 9.562 13.240 -0.903
79 H TRP 18 H TRP 18 2.602 9.320 -1.528
80 HA TRP 18 HA TRP 18 2.767 7.908 -4.094
81 HB2 TRP 18 2HB TRP 18 1.147 7.052 -1.736
82 HB3 TRP 18 1HB TRP 18 0.397 6.931 -3.325
83 HD1 TRP 18 HD TRP 18 3.673 5.860 -1.573
84 HE1 TRP 18 1HE TRP 18 4.442 3.627 -2.604
85 HE3 TRP 18 3HE TRP 18 0.105 5.280 -5.177
86 HZ2 TRP 18 2HZ TRP 18 3.647 1.829 -4.682
87 HZ3 TRP 18 3HZ TRP 18 0.133 3.299 -6.666
88 HH2 TRP 18 HH TRP 18 1.897 1.573 -6.423
89 H LYS 19 H LYS 19 0.690 8.221 -5.349
90 HA LYS 19 HA LYS 19 -0.285 10.977 -4.902
91 HB2 LYS 19 2HB LYS 19 0.005 9.294 -7.392
92 HB3 LYS 19 1HB LYS 19 -0.962 10.765 -7.360
93 HG2 LYS 19 2HG LYS 19 1.154 11.512 -8.088
94 HG3 LYS 19 1HG LYS 19 1.148 11.898 -6.370
95 HD2 LYS 19 2HD LYS 19 2.505 10.005 -5.839
96 HD3 LYS 19 1HD LYS 19 2.275 9.301 -7.440
97 HE2 LYS 19 2HE LYS 19 3.622 10.968 -8.478
98 HE3 LYS 19 1HE LYS 19 3.595 11.991 -7.041
99 HZ1 LYS 19 3HZ LYS 19 5.387 10.958 -6.296
100 HZ2 LYS 19 1HZ LYS 19 5.440 10.009 -7.700
101 HZ3 LYS 19 2HZ LYS 19 4.584 9.461 -6.339
102 H TYR 20 H TYR 20 -2.448 11.417 -4.816
103 HA TYR 20 HA TYR 20 -4.232 9.539 -3.832
104 HB2 TYR 20 2HB TYR 20 -4.627 11.940 -3.647
105 HB3 TYR 20 1HB TYR 20 -4.846 12.059 -5.393
106 HD1 TYR 20 2HD TYR 20 -6.231 10.514 -2.299
107 HD2 TYR 20 1HD TYR 20 -6.927 11.525 -6.416
108 HE1 TYR 20 2HE TYR 20 -8.625 9.918 -2.041
109 HE2 TYR 20 1HE TYR 20 -9.320 10.930 -6.158
110 HH TYR 20 HH TYR 20 -10.749 10.361 -3.078
111 H ALA 21 H ALA 21 -3.406 10.299 -7.144
112 HA ALA 21 HA ALA 21 -5.624 8.835 -8.283
113 HB1 ALA 21 1HB ALA 21 -4.425 10.794 -9.380
114 HB2 ALA 21 2HB ALA 21 -4.676 9.378 -10.400
115 HB3 ALA 21 3HB ALA 21 -3.090 9.684 -9.691
116 H GLU 22 H GLU 22 -2.151 8.290 -7.792
117 HA GLU 22 HA GLU 22 -1.974 5.805 -9.103
118 HB2 GLU 22 2HB GLU 22 -0.381 7.041 -6.857
119 HB3 GLU 22 1HB GLU 22 0.017 5.463 -7.539
120 HG2 GLU 22 2HG GLU 22 -0.334 7.909 -9.279
121 HG3 GLU 22 1HG GLU 22 1.219 7.499 -8.551
122 H LEU 23 H LEU 23 -2.606 6.603 -5.696
123 HA LEU 23 HA LEU 23 -2.754 3.994 -4.692
124 HB2 LEU 23 2HB LEU 23 -4.309 6.440 -3.818
125 HB3 LEU 23 1HB LEU 23 -4.090 4.974 -2.865
126 HG LEU 23 HG LEU 23 -1.767 6.599 -3.915
127 HD11 LEU 23 1HD1 LEU 23 -3.203 7.987 -2.430
128 HD12 LEU 23 2HD1 LEU 23 -1.633 7.640 -1.705
129 HD13 LEU 23 3HD1 LEU 23 -3.062 6.752 -1.178
130 HD21 LEU 23 3HD2 LEU 23 -0.712 5.424 -1.856
131 HD22 LEU 23 1HD2 LEU 23 -1.022 4.441 -3.285
132 HD23 LEU 23 2HD2 LEU 23 -2.123 4.367 -1.909
133 H ARG 24 H ARG 24 -5.337 6.085 -5.972
134 HA ARG 24 HA ARG 24 -7.392 4.126 -5.678
135 HB2 ARG 24 2HB ARG 24 -7.975 6.467 -5.780
136 HB3 ARG 24 1HB ARG 24 -7.228 6.628 -7.370
137 HG2 ARG 24 2HG ARG 24 -8.998 5.659 -8.449
138 HG3 ARG 24 1HG ARG 24 -9.273 4.488 -7.160
139 HD2 ARG 24 2HD ARG 24 -10.572 5.980 -5.905
140 HD3 ARG 24 1HD ARG 24 -9.895 7.395 -6.704
141 HE ARG 24 HE ARG 24 -11.494 7.153 -8.369
142 HH11 ARG 24 1HH2 ARG 24 -11.210 4.266 -6.483
143 HH12 ARG 24 2HH2 ARG 24 -12.577 3.491 -7.212
144 HH21 ARG 24 1HH1 ARG 24 -13.288 6.142 -9.330
145 HH22 ARG 24 2HH1 ARG 24 -13.753 4.552 -8.823
146 H ASP 25 H ASP 25 -5.294 5.115 -8.352
147 HA ASP 25 HA ASP 25 -6.526 3.558 -10.363
148 HB2 ASP 25 2HB ASP 25 -4.980 5.343 -10.930
149 HB3 ASP 25 1HB ASP 25 -3.668 4.512 -10.096
150 H THR 26 H THR 26 -3.721 2.885 -8.268
151 HA THR 26 HA THR 26 -3.031 0.382 -9.251
152 HB THR 26 HB THR 26 -2.986 1.137 -6.326
153 HG1 THR 26 1HG THR 26 -1.757 2.698 -6.963
154 HG21 THR 26 3HG2 THR 26 -2.394 -1.211 -7.006
155 HG22 THR 26 1HG2 THR 26 -1.070 -0.336 -6.239
156 HG23 THR 26 2HG2 THR 26 -1.094 -0.542 -7.990
157 H ILE 27 H ILE 27 -5.564 1.265 -6.953
158 HA ILE 27 HA ILE 27 -6.282 -1.453 -6.349
159 HB ILE 27 HB ILE 27 -7.771 1.148 -5.915
160 HG12 ILE 27 2HG1 ILE 27 -6.270 -0.585 -3.932
161 HG13 ILE 27 1HG1 ILE 27 -5.539 0.800 -4.744
162 HG21 ILE 27 1HG2 ILE 27 -8.970 -0.319 -4.177
163 HG22 ILE 27 2HG2 ILE 27 -8.310 -1.699 -5.054
164 HG23 ILE 27 3HG2 ILE 27 -9.405 -0.580 -5.866
165 HD11 ILE 27 3HD1 ILE 27 -7.046 2.329 -3.726
166 HD12 ILE 27 1HD1 ILE 27 -6.571 1.233 -2.430
167 HD13 ILE 27 2HD1 ILE 27 -8.135 1.039 -3.220
168 H ASN 28 H ASN 28 -7.259 0.954 -8.699
169 HA ASN 28 HA ASN 28 -9.474 -0.730 -9.640
170 HB2 ASN 28 2HB ASN 28 -8.574 2.077 -10.286
171 HB3 ASN 28 1HB ASN 28 -9.806 1.242 -11.231
172 HD21 ASN 28 1HD2 ASN 28 -9.064 1.906 -7.754
173 HD22 ASN 28 2HD2 ASN 28 -10.683 2.178 -7.320
174 H THR 29 H THR 29 -6.442 -1.206 -9.967
175 HA THR 29 HA THR 29 -6.620 -1.967 -12.796
176 HB THR 29 HB THR 29 -4.292 -1.127 -13.180
177 HG1 THR 29 1HG THR 29 -4.332 -0.811 -10.617
178 HG21 THR 29 3HG2 THR 29 -6.286 1.006 -12.369
179 HG22 THR 29 1HG2 THR 29 -6.313 0.136 -13.903
180 HG23 THR 29 2HG2 THR 29 -4.958 1.196 -13.513
181 H SER 30 H SER 30 -4.483 -1.983 -9.936
182 HA SER 30 HA SER 30 -3.431 -4.598 -10.673
183 HB2 SER 30 2HB SER 30 -2.172 -2.590 -9.533
184 HB3 SER 30 1HB SER 30 -2.858 -3.256 -8.053
185 HG SER 30 HG SER 30 -1.434 -4.783 -9.976
186 H CYS 31 H CYS 31 -3.184 -6.126 -8.642
187 HA CYS 31 HA CYS 31 -5.487 -6.174 -6.889
188 HB2 CYS 31 2HB CYS 31 -6.403 -8.273 -7.684
189 HB3 CYS 31 1HB CYS 31 -6.385 -7.118 -9.015
190 HG CYS 31 HG CYS 31 -4.045 -8.333 -9.730
191 H ASP 32 H ASP 32 -4.787 -6.931 -5.003
192 HA ASP 32 HA ASP 32 -3.279 -9.313 -4.703
193 HB2 ASP 32 2HB ASP 32 -1.590 -7.459 -5.557
194 HB3 ASP 32 1HB ASP 32 -1.636 -6.951 -3.871
195 H ILE 33 H ILE 33 -2.800 -9.781 -2.451
196 HA ILE 33 HA ILE 33 -4.770 -8.587 -0.684
197 HB ILE 33 HB ILE 33 -2.743 -10.774 -0.152
198 HG12 ILE 33 2HG1 ILE 33 -5.696 -11.041 -0.771
199 HG13 ILE 33 1HG1 ILE 33 -4.444 -11.185 -2.006
200 HG21 ILE 33 1HG2 ILE 33 -4.530 -11.320 1.634
201 HG22 ILE 33 2HG2 ILE 33 -5.112 -9.676 1.367
202 HG23 ILE 33 3HG2 ILE 33 -3.469 -9.947 1.946
203 HD11 ILE 33 3HD1 ILE 33 -4.488 -12.846 0.527
204 HD12 ILE 33 1HD1 ILE 33 -3.447 -13.070 -0.878
205 HD13 ILE 33 2HD1 ILE 33 -5.177 -13.388 -1.004
206 H GLU 34 H GLU 34 -1.598 -7.928 -1.528
207 HA GLU 34 HA GLU 34 -0.918 -6.808 1.115
208 HB2 GLU 34 2HB GLU 34 0.912 -6.974 -1.274
209 HB3 GLU 34 1HB GLU 34 1.343 -6.815 0.428
210 HG2 GLU 34 2HG GLU 34 0.365 -9.071 0.849
211 HG3 GLU 34 1HG GLU 34 0.068 -9.232 -0.881
212 H LEU 35 H LEU 35 -0.598 -5.888 -2.328
213 HA LEU 35 HA LEU 35 -0.121 -3.176 -1.935
214 HB2 LEU 35 2HB LEU 35 -1.454 -4.663 -4.198
215 HB3 LEU 35 1HB LEU 35 -1.170 -2.925 -4.259
216 HG LEU 35 HG LEU 35 0.992 -4.997 -3.769
217 HD11 LEU 35 1HD1 LEU 35 1.630 -4.743 -6.052
218 HD12 LEU 35 2HD1 LEU 35 0.550 -3.366 -6.277
219 HD13 LEU 35 3HD1 LEU 35 -0.117 -4.987 -6.080
220 HD21 LEU 35 3HD2 LEU 35 1.936 -3.076 -2.907
221 HD22 LEU 35 1HD2 LEU 35 0.899 -2.010 -3.855
222 HD23 LEU 35 2HD2 LEU 35 2.289 -2.789 -4.609
223 H LEU 36 H LEU 36 -3.252 -4.787 -2.519
224 HA LEU 36 HA LEU 36 -4.865 -2.506 -2.351
225 HB2 LEU 36 2HB LEU 36 -5.520 -5.344 -1.518
226 HB3 LEU 36 1HB LEU 36 -6.700 -4.068 -1.811
227 HG LEU 36 HG LEU 36 -4.732 -5.139 -3.857
228 HD11 LEU 36 1HD1 LEU 36 -6.577 -6.272 -4.852
229 HD12 LEU 36 2HD1 LEU 36 -7.742 -5.412 -3.849
230 HD13 LEU 36 3HD1 LEU 36 -6.690 -6.631 -3.130
231 HD21 LEU 36 3HD2 LEU 36 -6.718 -2.888 -3.831
232 HD22 LEU 36 1HD2 LEU 36 -6.483 -3.789 -5.330
233 HD23 LEU 36 2HD2 LEU 36 -5.120 -2.963 -4.577
234 H ALA 37 H ALA 37 -3.926 -4.800 0.206
235 HA ALA 37 HA ALA 37 -5.272 -3.449 2.301
236 HB1 ALA 37 1HB ALA 37 -4.080 -4.883 3.781
237 HB2 ALA 37 2HB ALA 37 -2.780 -5.124 2.615
238 HB3 ALA 37 3HB ALA 37 -4.369 -5.833 2.324
239 H ALA 38 H ALA 38 -2.085 -3.114 0.865
240 HA ALA 38 HA ALA 38 -1.074 -1.335 2.888
241 HB1 ALA 38 1HB ALA 38 0.866 -1.178 1.560
242 HB2 ALA 38 2HB ALA 38 -0.012 -1.552 0.077
243 HB3 ALA 38 3HB ALA 38 0.281 -2.816 1.270
244 H CYS 39 H CYS 39 -2.695 -0.996 -0.211
245 HA CYS 39 HA CYS 39 -2.279 1.822 -0.469
246 HB2 CYS 39 2HB CYS 39 -2.815 0.309 -2.377
247 HB3 CYS 39 1HB CYS 39 -4.438 0.108 -1.717
248 HG CYS 39 HG CYS 39 -3.900 3.042 -2.002
249 H ARG 40 H ARG 40 -5.088 -0.143 0.515
250 HA ARG 40 HA ARG 40 -6.886 1.888 1.066
251 HB2 ARG 40 2HB ARG 40 -6.471 -0.786 2.404
252 HB3 ARG 40 1HB ARG 40 -7.825 0.278 2.794
253 HG2 ARG 40 2HG ARG 40 -8.630 0.207 0.520
254 HG3 ARG 40 1HG ARG 40 -7.185 -0.649 -0.018
255 HD2 ARG 40 2HD ARG 40 -8.894 -2.306 0.211
256 HD3 ARG 40 1HD ARG 40 -7.823 -2.506 1.595
257 HE ARG 40 HE ARG 40 -10.569 -1.511 1.647
258 HH11 ARG 40 1HH2 ARG 40 -7.541 -1.960 3.266
259 HH12 ARG 40 2HH2 ARG 40 -8.212 -1.809 4.855
260 HH21 ARG 40 1HH1 ARG 40 -11.453 -1.314 3.728
261 HH22 ARG 40 2HH1 ARG 40 -10.427 -1.444 5.117
262 H GLU 41 H GLU 41 -4.218 0.691 3.037
263 HA GLU 41 HA GLU 41 -4.811 1.917 5.468
264 HB2 GLU 41 2HB GLU 41 -2.213 1.229 4.108
265 HB3 GLU 41 1HB GLU 41 -2.231 2.025 5.681
266 HG2 GLU 41 2HG GLU 41 -3.851 -0.469 5.171
267 HG3 GLU 41 1HG GLU 41 -2.160 -0.559 5.656
268 H GLU 42 H GLU 42 -2.971 3.217 2.705
269 HA GLU 42 HA GLU 42 -2.602 5.790 3.911
270 HB2 GLU 42 2HB GLU 42 -2.459 5.199 0.956
271 HB3 GLU 42 1HB GLU 42 -1.582 6.428 1.870
272 HG2 GLU 42 2HG GLU 42 -1.210 3.427 2.029
273 HG3 GLU 42 1HG GLU 42 -0.057 4.607 1.412
274 H PHE 43 H PHE 43 -4.824 4.474 1.472
275 HA PHE 43 HA PHE 43 -6.119 6.763 0.651
276 HB2 PHE 43 2HB PHE 43 -6.523 4.341 -0.083
277 HB3 PHE 43 1HB PHE 43 -7.615 4.225 1.298
278 HD1 PHE 43 2HD PHE 43 -9.668 5.579 1.408
279 HD2 PHE 43 1HD PHE 43 -7.063 5.728 -2.004
280 HE1 PHE 43 2HE PHE 43 -11.449 6.701 0.096
281 HE2 PHE 43 1HE PHE 43 -8.842 6.851 -3.315
282 HZ PHE 43 HZ PHE 43 -11.036 7.338 -2.265
283 H HIS 44 H HIS 44 -7.014 4.732 3.453
284 HA HIS 44 HA HIS 44 -9.134 6.281 4.391
285 HB2 HIS 44 2HB HIS 44 -7.140 4.541 5.846
286 HB3 HIS 44 1HB HIS 44 -8.507 5.304 6.657
287 HD2 HIS 44 2HD HIS 44 -9.160 3.951 3.057
288 HE1 HIS 44 1HE HIS 44 -10.977 1.277 5.772
289 HE2 HIS 44 2HE HIS 44 -10.742 1.889 3.320
290 H ARG 45 H ARG 45 -5.657 6.636 4.900
291 HA ARG 45 HA ARG 45 -5.888 8.740 6.832
292 HB2 ARG 45 2HB ARG 45 -3.617 7.718 5.129
293 HB3 ARG 45 1HB ARG 45 -3.434 9.104 6.204
294 HG2 ARG 45 2HG ARG 45 -3.893 7.808 8.137
295 HG3 ARG 45 1HG ARG 45 -4.545 6.473 7.186
296 HD2 ARG 45 2HD ARG 45 -2.104 6.307 8.142
297 HD3 ARG 45 1HD ARG 45 -2.437 5.747 6.506
298 HE ARG 45 HE ARG 45 -1.124 7.483 5.705
299 HH11 ARG 45 1HH2 ARG 45 -2.040 8.039 8.995
300 HH12 ARG 45 2HH2 ARG 45 -1.024 9.428 9.188
301 HH21 ARG 45 1HH1 ARG 45 0.210 9.304 5.950
302 HH22 ARG 45 2HH1 ARG 45 0.250 10.145 7.464
303 H ARG 46 H ARG 46 -5.273 8.625 3.334
304 HA ARG 46 HA ARG 46 -4.792 11.304 2.825
305 HB2 ARG 46 2HB ARG 46 -6.407 9.377 1.136
306 HB3 ARG 46 1HB ARG 46 -5.685 10.880 0.567
307 HG2 ARG 46 2HG ARG 46 -3.833 9.023 1.965
308 HG3 ARG 46 1HG ARG 46 -4.437 8.461 0.408
309 HD2 ARG 46 2HD ARG 46 -3.710 10.602 -0.620
310 HD3 ARG 46 1HD ARG 46 -3.061 11.110 0.935
311 HE ARG 46 HE ARG 46 -1.923 8.625 0.326
312 HH11 ARG 46 1HH2 ARG 46 -2.025 11.860 -0.895
313 HH12 ARG 46 2HH2 ARG 46 -0.444 11.794 -1.595
314 HH21 ARG 46 1HH1 ARG 46 0.151 8.528 -0.592
315 HH22 ARG 46 2HH1 ARG 46 0.789 9.907 -1.425
316 H LEU 47 H LEU 47 -7.853 9.657 3.403
317 HA LEU 47 HA LEU 47 -9.576 11.780 2.675
318 HB2 LEU 47 2HB LEU 47 -9.806 9.265 4.251
319 HB3 LEU 47 1HB LEU 47 -11.033 10.494 4.551
320 HG LEU 47 HG LEU 47 -11.415 10.610 2.060
321 HD11 LEU 47 1HD1 LEU 47 -10.508 8.890 0.639
322 HD12 LEU 47 2HD1 LEU 47 -9.800 8.049 2.017
323 HD13 LEU 47 3HD1 LEU 47 -9.152 9.608 1.508
324 HD21 LEU 47 3HD2 LEU 47 -11.787 7.829 3.202
325 HD22 LEU 47 1HD2 LEU 47 -12.798 8.640 2.006
326 HD23 LEU 47 2HD2 LEU 47 -12.779 9.208 3.677
327 H LYS 48 H LYS 48 -7.733 11.090 5.565
328 HA LYS 48 HA LYS 48 -8.986 12.612 7.489
329 HB2 LYS 48 2HB LYS 48 -6.866 11.231 7.732
330 HB3 LYS 48 1HB LYS 48 -5.992 12.614 7.075
331 HG2 LYS 48 2HG LYS 48 -5.844 13.088 9.343
332 HG3 LYS 48 1HG LYS 48 -7.337 13.938 8.946
333 HD2 LYS 48 2HD LYS 48 -8.027 12.716 10.800
334 HD3 LYS 48 1HD LYS 48 -8.447 11.594 9.506
335 HE2 LYS 48 2HE LYS 48 -7.272 10.259 11.067
336 HE3 LYS 48 1HE LYS 48 -6.072 10.627 9.829
337 HZ1 LYS 48 3HZ LYS 48 -6.117 12.677 11.770
338 HZ2 LYS 48 1HZ LYS 48 -4.835 11.659 11.326
339 HZ3 LYS 48 2HZ LYS 48 -5.920 11.175 12.539
340 H VAL 49 H VAL 49 -6.113 13.920 5.860
341 HA VAL 49 HA VAL 49 -7.182 16.617 6.152
342 HB VAL 49 HB VAL 49 -4.893 17.187 5.107
343 HG11 VAL 49 1HG1 VAL 49 -5.180 15.743 7.756
344 HG12 VAL 49 2HG1 VAL 49 -5.276 17.481 7.470
345 HG13 VAL 49 3HG1 VAL 49 -3.736 16.641 7.291
346 HG21 VAL 49 3HG2 VAL 49 -4.656 14.785 4.236
347 HG22 VAL 49 1HG2 VAL 49 -4.302 14.327 5.902
348 HG23 VAL 49 2HG2 VAL 49 -3.246 15.458 5.054
349 H TYR 50 H TYR 50 -6.482 18.073 4.140
350 HA TYR 50 HA TYR 50 -7.207 18.744 2.060
351 HB2 TYR 50 2HB TYR 50 -6.470 16.005 1.068
352 HB3 TYR 50 1HB TYR 50 -6.223 17.573 0.297
353 HD1 TYR 50 2HD TYR 50 -4.911 19.252 2.146
354 HD2 TYR 50 1HD TYR 50 -4.447 15.008 1.662
355 HE1 TYR 50 2HE TYR 50 -2.641 19.386 3.136
356 HE2 TYR 50 1HE TYR 50 -2.178 15.143 2.653
357 HH TYR 50 HH TYR 50 -0.932 16.672 4.187
358 H HIS 51 H HIS 51 -9.167 17.369 3.796
359 HA HIS 51 HA HIS 51 -10.806 15.676 2.183
360 HB2 HIS 51 2HB HIS 51 -10.829 15.752 4.697
361 HB3 HIS 51 1HB HIS 51 -11.648 17.308 4.585
362 HD2 HIS 51 2HD HIS 51 -13.083 14.297 5.581
363 HE1 HIS 51 1HE HIS 51 -15.518 15.102 2.226
364 HE2 HIS 51 2HE HIS 51 -15.320 13.732 4.355
Start of MODEL 13
1 H1 GLY 9 H GLY 9 9.672 -12.372 10.183
2 HA2 GLY 9 2HA GLY 9 9.500 -10.300 9.137
3 HA3 GLY 9 1HA GLY 9 11.040 -10.602 8.338
4 H THR 10 H THR 10 9.322 -9.507 6.722
5 HA THR 10 HA THR 10 8.540 -11.676 4.910
6 HB THR 10 HB THR 10 6.505 -11.124 6.207
7 HG1 THR 10 1HG THR 10 5.297 -11.078 4.434
8 HG21 THR 10 3HG2 THR 10 6.677 -8.380 4.959
9 HG22 THR 10 1HG2 THR 10 7.274 -8.709 6.585
10 HG23 THR 10 2HG2 THR 10 5.566 -8.939 6.209
11 H LYS 11 H LYS 11 7.161 -9.941 3.127
12 HA LYS 11 HA LYS 11 9.218 -7.979 2.341
13 HB2 LYS 11 2HB LYS 11 9.530 -10.179 1.128
14 HB3 LYS 11 1HB LYS 11 7.953 -9.905 0.389
15 HG2 LYS 11 2HG LYS 11 8.747 -7.763 -0.535
16 HG3 LYS 11 1HG LYS 11 10.325 -8.023 0.210
17 HD2 LYS 11 2HD LYS 11 10.422 -10.221 -1.090
18 HD3 LYS 11 1HD LYS 11 9.031 -9.631 -2.000
19 HE2 LYS 11 2HE LYS 11 11.830 -8.530 -1.908
20 HE3 LYS 11 1HE LYS 11 10.837 -8.911 -3.314
21 HZ1 LYS 11 3HZ LYS 11 9.362 -7.077 -2.686
22 HZ2 LYS 11 1HZ LYS 11 10.941 -6.543 -3.002
23 HZ3 LYS 11 2HZ LYS 11 10.397 -6.686 -1.398
24 H LYS 12 H LYS 12 7.941 -6.226 2.783
25 HA LYS 12 HA LYS 12 5.309 -6.070 1.448
26 HB2 LYS 12 2HB LYS 12 4.951 -4.106 2.975
27 HB3 LYS 12 1HB LYS 12 5.141 -5.647 3.808
28 HG2 LYS 12 2HG LYS 12 7.647 -4.116 3.314
29 HG3 LYS 12 1HG LYS 12 6.535 -3.422 4.492
30 HD2 LYS 12 2HD LYS 12 6.491 -5.569 5.716
31 HD3 LYS 12 1HD LYS 12 7.619 -6.255 4.547
32 HE2 LYS 12 2HE LYS 12 9.326 -4.638 5.167
33 HE3 LYS 12 1HE LYS 12 8.197 -3.807 6.237
34 HZ1 LYS 12 3HZ LYS 12 9.824 -6.021 6.802
35 HZ2 LYS 12 1HZ LYS 12 8.205 -6.510 6.926
36 HZ3 LYS 12 2HZ LYS 12 8.767 -5.194 7.844
37 H TYR 13 H TYR 13 5.022 -3.324 1.379
38 HA TYR 13 HA TYR 13 7.173 -2.455 -0.467
39 HB2 TYR 13 2HB TYR 13 4.238 -1.783 -0.743
40 HB3 TYR 13 1HB TYR 13 5.532 -1.440 -1.893
41 HD1 TYR 13 1HD TYR 13 3.431 -4.091 -0.404
42 HD2 TYR 13 2HD TYR 13 6.446 -3.172 -3.322
43 HE1 TYR 13 1HE TYR 13 3.084 -6.307 -1.460
44 HE2 TYR 13 2HE TYR 13 6.098 -5.388 -4.378
45 HH TYR 13 HH TYR 13 3.788 -7.107 -4.325
46 H ASP 14 H ASP 14 7.753 -0.292 -0.405
47 HA ASP 14 HA ASP 14 6.947 1.133 2.036
48 HB2 ASP 14 2HB ASP 14 8.898 2.617 1.425
49 HB3 ASP 14 1HB ASP 14 9.317 0.941 1.777
50 H LEU 15 H LEU 15 5.220 2.403 1.785
51 HA LEU 15 HA LEU 15 4.833 3.847 -0.754
52 HB2 LEU 15 2HB LEU 15 2.869 3.809 1.525
53 HB3 LEU 15 1HB LEU 15 2.563 4.026 -0.199
54 HG LEU 15 HG LEU 15 3.477 1.461 1.140
55 HD11 LEU 15 1HD1 LEU 15 1.214 0.698 0.194
56 HD12 LEU 15 2HD1 LEU 15 0.849 2.411 -0.014
57 HD13 LEU 15 3HD1 LEU 15 1.161 1.766 1.597
58 HD21 LEU 15 3HD2 LEU 15 2.936 2.180 -1.755
59 HD22 LEU 15 1HD2 LEU 15 3.043 0.518 -1.174
60 HD23 LEU 15 2HD2 LEU 15 4.446 1.581 -1.068
61 H SER 16 H SER 16 6.923 4.709 0.936
62 HA SER 16 HA SER 16 6.562 6.615 2.815
63 HB2 SER 16 2HB SER 16 8.337 7.160 0.440
64 HB3 SER 16 1HB SER 16 8.585 7.632 2.119
65 HG SER 16 HG SER 16 9.728 5.680 1.224
66 H LYS 17 H LYS 17 5.840 6.970 -0.621
67 HA LYS 17 HA LYS 17 4.106 9.222 -0.035
68 HB2 LYS 17 2HB LYS 17 5.192 10.760 -1.601
69 HB3 LYS 17 1HB LYS 17 6.298 10.320 -0.301
70 HG2 LYS 17 2HG LYS 17 7.764 9.810 -1.965
71 HG3 LYS 17 1HG LYS 17 6.802 8.347 -2.168
72 HD2 LYS 17 2HD LYS 17 5.337 9.654 -3.776
73 HD3 LYS 17 1HD LYS 17 6.531 10.950 -3.692
74 HE2 LYS 17 2HE LYS 17 6.952 9.482 -5.633
75 HE3 LYS 17 1HE LYS 17 8.280 9.402 -4.475
76 HZ1 LYS 17 3HZ LYS 17 7.620 7.330 -3.733
77 HZ2 LYS 17 1HZ LYS 17 7.328 7.225 -5.400
78 HZ3 LYS 17 2HZ LYS 17 6.038 7.492 -4.327
79 H TRP 18 H TRP 18 2.375 9.143 -1.317
80 HA TRP 18 HA TRP 18 2.583 7.934 -3.991
81 HB2 TRP 18 2HB TRP 18 0.960 6.922 -1.690
82 HB3 TRP 18 1HB TRP 18 0.248 6.850 -3.301
83 HD1 TRP 18 HD TRP 18 3.566 5.840 -1.578
84 HE1 TRP 18 1HE TRP 18 4.401 3.659 -2.666
85 HE3 TRP 18 3HE TRP 18 -0.027 5.207 -5.151
86 HZ2 TRP 18 2HZ TRP 18 3.644 1.877 -4.769
87 HZ3 TRP 18 3HZ TRP 18 0.054 3.257 -6.681
88 HH2 TRP 18 HH TRP 18 1.882 1.593 -6.495
89 H LYS 19 H LYS 19 0.497 8.279 -5.224
90 HA LYS 19 HA LYS 19 -0.603 10.945 -4.554
91 HB2 LYS 19 2HB LYS 19 -0.235 9.584 -7.235
92 HB3 LYS 19 1HB LYS 19 -1.076 11.115 -7.004
93 HG2 LYS 19 2HG LYS 19 1.040 11.926 -7.468
94 HG3 LYS 19 1HG LYS 19 1.188 11.748 -5.722
95 HD2 LYS 19 2HD LYS 19 2.242 9.558 -6.001
96 HD3 LYS 19 1HD LYS 19 2.023 9.651 -7.748
97 HE2 LYS 19 2HE LYS 19 3.656 11.603 -6.102
98 HE3 LYS 19 1HE LYS 19 4.327 10.285 -7.062
99 HZ1 LYS 19 3HZ LYS 19 3.642 12.840 -7.919
100 HZ2 LYS 19 1HZ LYS 19 2.534 11.776 -8.638
101 HZ3 LYS 19 2HZ LYS 19 4.203 11.541 -8.860
102 H TYR 20 H TYR 20 -2.798 11.283 -4.630
103 HA TYR 20 HA TYR 20 -4.531 9.242 -3.916
104 HB2 TYR 20 2HB TYR 20 -5.092 11.586 -3.579
105 HB3 TYR 20 1HB TYR 20 -5.163 11.847 -5.323
106 HD1 TYR 20 1HD TYR 20 -6.919 10.681 -6.688
107 HD2 TYR 20 2HD TYR 20 -6.921 10.600 -2.394
108 HE1 TYR 20 1HE TYR 20 -9.290 9.955 -6.704
109 HE2 TYR 20 2HE TYR 20 -9.293 9.874 -2.409
110 HH TYR 20 HH TYR 20 -11.096 9.552 -5.462
111 H ALA 21 H ALA 21 -3.560 10.326 -7.103
112 HA ALA 21 HA ALA 21 -5.599 8.900 -8.532
113 HB1 ALA 21 1HB ALA 21 -4.458 10.843 -9.514
114 HB2 ALA 21 2HB ALA 21 -4.238 9.410 -10.519
115 HB3 ALA 21 3HB ALA 21 -2.928 9.967 -9.477
116 H GLU 22 H GLU 22 -2.237 8.251 -7.632
117 HA GLU 22 HA GLU 22 -2.015 5.800 -9.069
118 HB2 GLU 22 2HB GLU 22 -0.473 6.912 -6.716
119 HB3 GLU 22 1HB GLU 22 -0.044 5.422 -7.553
120 HG2 GLU 22 2HG GLU 22 -0.398 8.045 -9.011
121 HG3 GLU 22 1HG GLU 22 1.154 7.538 -8.344
122 H LEU 23 H LEU 23 -2.857 6.605 -5.720
123 HA LEU 23 HA LEU 23 -3.033 3.943 -4.771
124 HB2 LEU 23 2HB LEU 23 -4.488 6.412 -3.796
125 HB3 LEU 23 1HB LEU 23 -4.282 4.912 -2.895
126 HG LEU 23 HG LEU 23 -1.935 6.500 -3.949
127 HD11 LEU 23 1HD1 LEU 23 -1.733 7.502 -1.730
128 HD12 LEU 23 2HD1 LEU 23 -3.172 6.641 -1.184
129 HD13 LEU 23 3HD1 LEU 23 -3.310 7.900 -2.411
130 HD21 LEU 23 3HD2 LEU 23 -2.324 4.250 -1.966
131 HD22 LEU 23 1HD2 LEU 23 -0.876 5.255 -1.941
132 HD23 LEU 23 2HD2 LEU 23 -1.259 4.299 -3.372
133 H ARG 24 H ARG 24 -5.517 6.195 -5.972
134 HA ARG 24 HA ARG 24 -7.663 4.334 -5.718
135 HB2 ARG 24 2HB ARG 24 -7.900 6.839 -5.821
136 HB3 ARG 24 1HB ARG 24 -7.524 6.743 -7.540
137 HG2 ARG 24 2HG ARG 24 -9.930 6.754 -7.320
138 HG3 ARG 24 1HG ARG 24 -9.443 5.131 -7.799
139 HD2 ARG 24 2HD ARG 24 -9.956 4.219 -5.733
140 HD3 ARG 24 1HD ARG 24 -9.640 5.722 -4.870
141 HE ARG 24 HE ARG 24 -11.863 6.293 -5.182
142 HH11 ARG 24 1HH2 ARG 24 -10.913 3.791 -7.373
143 HH12 ARG 24 2HH2 ARG 24 -12.513 3.527 -7.984
144 HH21 ARG 24 1HH1 ARG 24 -13.964 5.953 -5.975
145 HH22 ARG 24 2HH1 ARG 24 -14.240 4.752 -7.191
146 H ASP 25 H ASP 25 -5.417 5.159 -8.301
147 HA ASP 25 HA ASP 25 -6.803 3.678 -10.333
148 HB2 ASP 25 2HB ASP 25 -5.329 5.525 -10.934
149 HB3 ASP 25 1HB ASP 25 -3.954 4.689 -10.213
150 H THR 26 H THR 26 -3.936 3.061 -8.314
151 HA THR 26 HA THR 26 -3.162 0.611 -9.367
152 HB THR 26 HB THR 26 -3.092 1.510 -6.475
153 HG1 THR 26 1HG THR 26 -2.011 2.719 -8.285
154 HG21 THR 26 3HG2 THR 26 -1.747 -0.749 -7.965
155 HG22 THR 26 1HG2 THR 26 -2.720 -0.844 -6.498
156 HG23 THR 26 2HG2 THR 26 -1.117 -0.112 -6.445
157 H ILE 27 H ILE 27 -5.579 1.282 -6.847
158 HA ILE 27 HA ILE 27 -6.220 -1.445 -6.350
159 HB ILE 27 HB ILE 27 -7.805 1.089 -5.867
160 HG12 ILE 27 2HG1 ILE 27 -6.261 -0.643 -3.916
161 HG13 ILE 27 1HG1 ILE 27 -5.558 0.770 -4.707
162 HG21 ILE 27 1HG2 ILE 27 -8.265 -1.794 -5.084
163 HG22 ILE 27 2HG2 ILE 27 -9.394 -0.675 -5.846
164 HG23 ILE 27 3HG2 ILE 27 -8.949 -0.460 -4.153
165 HD11 ILE 27 3HD1 ILE 27 -6.581 1.171 -2.396
166 HD12 ILE 27 1HD1 ILE 27 -8.150 0.911 -3.158
167 HD13 ILE 27 2HD1 ILE 27 -7.127 2.247 -3.683
168 H ASN 28 H ASN 28 -7.341 0.937 -8.666
169 HA ASN 28 HA ASN 28 -9.476 -0.847 -9.602
170 HB2 ASN 28 2HB ASN 28 -8.723 2.005 -10.238
171 HB3 ASN 28 1HB ASN 28 -9.927 1.116 -11.171
172 HD21 ASN 28 1HD2 ASN 28 -9.183 2.206 -7.832
173 HD22 ASN 28 2HD2 ASN 28 -10.800 2.224 -7.319
174 H THR 29 H THR 29 -6.536 -1.379 -9.943
175 HA THR 29 HA THR 29 -6.665 -2.021 -12.791
176 HB THR 29 HB THR 29 -4.311 -1.140 -13.101
177 HG1 THR 29 1HG THR 29 -4.081 -0.900 -10.737
178 HG21 THR 29 3HG2 THR 29 -6.384 0.966 -12.439
179 HG22 THR 29 1HG2 THR 29 -6.403 0.003 -13.917
180 HG23 THR 29 2HG2 THR 29 -5.060 1.101 -13.598
181 H SER 30 H SER 30 -4.468 -2.030 -9.973
182 HA SER 30 HA SER 30 -3.420 -4.636 -10.754
183 HB2 SER 30 2HB SER 30 -2.110 -2.627 -9.696
184 HB3 SER 30 1HB SER 30 -2.741 -3.257 -8.175
185 HG SER 30 HG SER 30 -0.659 -4.112 -9.494
186 H CYS 31 H CYS 31 -3.053 -6.128 -8.693
187 HA CYS 31 HA CYS 31 -5.299 -6.196 -6.870
188 HB2 CYS 31 2HB CYS 31 -6.189 -8.329 -7.598
189 HB3 CYS 31 1HB CYS 31 -6.237 -7.199 -8.953
190 HG CYS 31 HG CYS 31 -4.567 -9.745 -8.837
191 H ASP 32 H ASP 32 -4.529 -6.900 -4.995
192 HA ASP 32 HA ASP 32 -2.962 -9.241 -4.690
193 HB2 ASP 32 2HB ASP 32 -1.344 -7.350 -5.619
194 HB3 ASP 32 1HB ASP 32 -1.344 -6.841 -3.934
195 H ILE 33 H ILE 33 -2.907 -9.892 -2.568
196 HA ILE 33 HA ILE 33 -4.683 -8.598 -0.750
197 HB ILE 33 HB ILE 33 -2.665 -10.794 -0.216
198 HG12 ILE 33 2HG1 ILE 33 -5.620 -11.054 -0.827
199 HG13 ILE 33 1HG1 ILE 33 -4.375 -11.195 -2.070
200 HG21 ILE 33 1HG2 ILE 33 -5.020 -9.672 1.306
201 HG22 ILE 33 2HG2 ILE 33 -3.381 -9.976 1.884
202 HG23 ILE 33 3HG2 ILE 33 -4.468 -11.327 1.567
203 HD11 ILE 33 3HD1 ILE 33 -4.420 -12.865 0.458
204 HD12 ILE 33 1HD1 ILE 33 -3.364 -13.076 -0.940
205 HD13 ILE 33 2HD1 ILE 33 -5.093 -13.402 -1.081
206 H GLU 34 H GLU 34 -1.521 -7.932 -1.602
207 HA GLU 34 HA GLU 34 -0.820 -6.839 1.048
208 HB2 GLU 34 2HB GLU 34 0.906 -7.155 -1.419
209 HB3 GLU 34 1HB GLU 34 1.450 -6.673 0.189
210 HG2 GLU 34 2HG GLU 34 0.081 -9.308 -0.407
211 HG3 GLU 34 1HG GLU 34 1.831 -9.108 -0.330
212 H LEU 35 H LEU 35 -0.437 -5.853 -2.370
213 HA LEU 35 HA LEU 35 -0.027 -3.141 -1.907
214 HB2 LEU 35 2HB LEU 35 -1.302 -4.553 -4.255
215 HB3 LEU 35 1HB LEU 35 -0.913 -2.836 -4.256
216 HG LEU 35 HG LEU 35 1.104 -5.035 -3.710
217 HD11 LEU 35 1HD1 LEU 35 0.725 -3.395 -6.233
218 HD12 LEU 35 2HD1 LEU 35 0.172 -5.060 -6.043
219 HD13 LEU 35 3HD1 LEU 35 1.895 -4.689 -5.976
220 HD21 LEU 35 3HD2 LEU 35 2.578 -2.930 -4.459
221 HD22 LEU 35 1HD2 LEU 35 2.074 -3.143 -2.784
222 HD23 LEU 35 2HD2 LEU 35 1.191 -2.040 -3.836
223 H LEU 36 H LEU 36 -3.105 -4.813 -2.595
224 HA LEU 36 HA LEU 36 -4.773 -2.570 -2.482
225 HB2 LEU 36 2HB LEU 36 -5.371 -5.423 -1.660
226 HB3 LEU 36 1HB LEU 36 -6.583 -4.176 -1.954
227 HG LEU 36 HG LEU 36 -4.567 -5.171 -3.991
228 HD11 LEU 36 1HD1 LEU 36 -6.150 -6.905 -3.747
229 HD12 LEU 36 2HD1 LEU 36 -6.782 -5.955 -5.090
230 HD13 LEU 36 3HD1 LEU 36 -7.479 -5.777 -3.481
231 HD21 LEU 36 3HD2 LEU 36 -6.371 -3.863 -5.459
232 HD22 LEU 36 1HD2 LEU 36 -5.017 -3.014 -4.714
233 HD23 LEU 36 2HD2 LEU 36 -6.607 -2.975 -3.953
234 H ALA 37 H ALA 37 -3.835 -4.821 0.112
235 HA ALA 37 HA ALA 37 -5.260 -3.466 2.163
236 HB1 ALA 37 1HB ALA 37 -4.108 -4.885 3.684
237 HB2 ALA 37 2HB ALA 37 -2.766 -5.120 2.564
238 HB3 ALA 37 3HB ALA 37 -4.336 -5.846 2.224
239 H ALA 38 H ALA 38 -2.057 -3.115 0.783
240 HA ALA 38 HA ALA 38 -1.083 -1.318 2.809
241 HB1 ALA 38 1HB ALA 38 0.027 -1.504 0.018
242 HB2 ALA 38 2HB ALA 38 0.282 -2.806 1.180
243 HB3 ALA 38 3HB ALA 38 0.877 -1.182 1.530
244 H CYS 39 H CYS 39 -2.709 -1.019 -0.283
245 HA CYS 39 HA CYS 39 -2.304 1.796 -0.583
246 HB2 CYS 39 2HB CYS 39 -2.892 0.143 -2.424
247 HB3 CYS 39 1HB CYS 39 -4.539 0.161 -1.792
248 HG CYS 39 HG CYS 39 -3.288 2.350 -3.472
249 H ARG 40 H ARG 40 -5.105 -0.165 0.438
250 HA ARG 40 HA ARG 40 -6.918 1.848 0.968
251 HB2 ARG 40 2HB ARG 40 -6.441 -0.778 2.381
252 HB3 ARG 40 1HB ARG 40 -7.802 0.276 2.764
253 HG2 ARG 40 2HG ARG 40 -8.697 0.086 0.559
254 HG3 ARG 40 1HG ARG 40 -7.215 -0.648 -0.055
255 HD2 ARG 40 2HD ARG 40 -8.966 -2.351 0.290
256 HD3 ARG 40 1HD ARG 40 -7.594 -2.625 1.360
257 HE ARG 40 HE ARG 40 -9.647 -1.016 2.581
258 HH11 ARG 40 1HH2 ARG 40 -8.609 -4.222 1.788
259 HH12 ARG 40 2HH2 ARG 40 -9.489 -4.974 3.076
260 HH21 ARG 40 1HH1 ARG 40 -10.803 -1.998 4.274
261 HH22 ARG 40 2HH1 ARG 40 -10.730 -3.716 4.484
262 H GLU 41 H GLU 41 -4.111 0.876 2.823
263 HA GLU 41 HA GLU 41 -4.750 2.205 5.243
264 HB2 GLU 41 2HB GLU 41 -2.142 1.361 3.978
265 HB3 GLU 41 1HB GLU 41 -2.200 2.187 5.536
266 HG2 GLU 41 2HG GLU 41 -3.856 -0.278 4.984
267 HG3 GLU 41 1HG GLU 41 -2.202 -0.387 5.582
268 H GLU 42 H GLU 42 -2.924 3.230 2.366
269 HA GLU 42 HA GLU 42 -2.313 5.832 3.363
270 HB2 GLU 42 2HB GLU 42 -2.272 4.548 0.641
271 HB3 GLU 42 1HB GLU 42 -2.002 6.282 0.816
272 HG2 GLU 42 2HG GLU 42 -0.464 4.264 2.450
273 HG3 GLU 42 1HG GLU 42 0.082 4.778 0.854
274 H PHE 43 H PHE 43 -4.776 4.610 1.102
275 HA PHE 43 HA PHE 43 -6.054 6.958 0.438
276 HB2 PHE 43 2HB PHE 43 -6.560 4.566 -0.340
277 HB3 PHE 43 1HB PHE 43 -7.573 4.437 1.099
278 HD1 PHE 43 2HD PHE 43 -7.082 6.249 -2.096
279 HD2 PHE 43 1HD PHE 43 -9.672 5.604 1.269
280 HE1 PHE 43 2HE PHE 43 -8.909 7.445 -3.273
281 HE2 PHE 43 1HE PHE 43 -11.499 6.799 0.092
282 HZ PHE 43 HZ PHE 43 -11.117 7.721 -2.179
283 H HIS 44 H HIS 44 -6.658 4.900 3.278
284 HA HIS 44 HA HIS 44 -8.740 6.369 4.414
285 HB2 HIS 44 2HB HIS 44 -7.744 4.090 5.125
286 HB3 HIS 44 1HB HIS 44 -6.601 5.043 6.071
287 HD2 HIS 44 2HD HIS 44 -9.618 7.124 6.400
288 HE1 HIS 44 1HE HIS 44 -10.189 4.157 9.348
289 HE2 HIS 44 2HE HIS 44 -10.971 6.426 8.519
290 H ARG 45 H ARG 45 -5.233 6.778 4.702
291 HA ARG 45 HA ARG 45 -5.322 8.846 6.652
292 HB2 ARG 45 2HB ARG 45 -3.222 8.038 4.635
293 HB3 ARG 45 1HB ARG 45 -2.978 9.324 5.817
294 HG2 ARG 45 2HG ARG 45 -3.202 7.822 7.652
295 HG3 ARG 45 1HG ARG 45 -3.862 6.549 6.625
296 HD2 ARG 45 2HD ARG 45 -1.374 6.369 7.323
297 HD3 ARG 45 1HD ARG 45 -1.777 6.099 5.630
298 HE ARG 45 HE ARG 45 -1.229 8.813 5.874
299 HH11 ARG 45 1HH2 ARG 45 0.367 5.788 6.397
300 HH12 ARG 45 2HH2 ARG 45 1.947 6.401 6.037
301 HH21 ARG 45 1HH1 ARG 45 0.840 9.626 5.402
302 HH22 ARG 45 2HH1 ARG 45 2.214 8.574 5.475
303 H ARG 46 H ARG 46 -5.131 8.874 3.103
304 HA ARG 46 HA ARG 46 -4.833 11.613 2.694
305 HB2 ARG 46 2HB ARG 46 -6.465 9.690 1.017
306 HB3 ARG 46 1HB ARG 46 -5.809 11.236 0.483
307 HG2 ARG 46 2HG ARG 46 -3.929 9.208 1.651
308 HG3 ARG 46 1HG ARG 46 -4.500 8.977 -0.001
309 HD2 ARG 46 2HD ARG 46 -3.534 10.991 -0.746
310 HD3 ARG 46 1HD ARG 46 -3.391 11.635 0.887
311 HE ARG 46 HE ARG 46 -1.831 9.249 0.520
312 HH11 ARG 46 1HH2 ARG 46 -1.984 12.665 -0.008
313 HH12 ARG 46 2HH2 ARG 46 -0.264 12.878 -0.034
314 HH21 ARG 46 1HH1 ARG 46 0.424 9.520 0.487
315 HH22 ARG 46 2HH1 ARG 46 1.099 11.096 0.246
316 H LEU 47 H LEU 47 -7.720 9.722 3.410
317 HA LEU 47 HA LEU 47 -9.610 11.791 2.937
318 HB2 LEU 47 2HB LEU 47 -9.609 9.127 4.265
319 HB3 LEU 47 1HB LEU 47 -10.885 10.243 4.744
320 HG LEU 47 HG LEU 47 -11.401 10.575 2.293
321 HD11 LEU 47 1HD1 LEU 47 -9.113 9.739 1.557
322 HD12 LEU 47 2HD1 LEU 47 -10.479 9.065 0.670
323 HD13 LEU 47 3HD1 LEU 47 -9.683 8.112 1.921
324 HD21 LEU 47 3HD2 LEU 47 -12.691 9.022 3.743
325 HD22 LEU 47 1HD2 LEU 47 -11.574 7.724 3.318
326 HD23 LEU 47 2HD2 LEU 47 -12.602 8.445 2.080
327 H LYS 48 H LYS 48 -7.917 10.674 5.851
328 HA LYS 48 HA LYS 48 -9.176 12.304 7.733
329 HB2 LYS 48 2HB LYS 48 -7.609 10.485 8.312
330 HB3 LYS 48 1HB LYS 48 -6.272 11.448 7.685
331 HG2 LYS 48 2HG LYS 48 -6.538 13.108 9.375
332 HG3 LYS 48 1HG LYS 48 -8.118 12.481 9.843
333 HD2 LYS 48 2HD LYS 48 -7.120 10.459 10.731
334 HD3 LYS 48 1HD LYS 48 -5.533 10.922 10.117
335 HE2 LYS 48 2HE LYS 48 -5.812 11.395 12.561
336 HE3 LYS 48 1HE LYS 48 -5.458 12.840 11.612
337 HZ1 LYS 48 3HZ LYS 48 -7.380 13.729 12.212
338 HZ2 LYS 48 1HZ LYS 48 -7.616 12.434 13.281
339 HZ3 LYS 48 2HZ LYS 48 -8.250 12.361 11.706
340 H VAL 49 H VAL 49 -5.816 13.074 7.319
341 HA VAL 49 HA VAL 49 -4.739 15.099 7.162
342 HB VAL 49 HB VAL 49 -6.901 15.701 5.141
343 HG11 VAL 49 1HG1 VAL 49 -4.049 16.649 5.531
344 HG12 VAL 49 2HG1 VAL 49 -5.517 17.624 5.629
345 HG13 VAL 49 3HG1 VAL 49 -4.995 16.966 4.077
346 HG21 VAL 49 3HG2 VAL 49 -5.882 13.471 4.754
347 HG22 VAL 49 1HG2 VAL 49 -4.281 14.211 4.786
348 HG23 VAL 49 2HG2 VAL 49 -5.417 14.622 3.501
349 H TYR 50 H TYR 50 -4.909 16.302 8.952
350 HA TYR 50 HA TYR 50 -7.363 17.918 9.333
351 HB2 TYR 50 2HB TYR 50 -6.831 17.921 11.729
352 HB3 TYR 50 1HB TYR 50 -6.999 16.271 11.130
353 HD1 TYR 50 1HD TYR 50 -4.951 14.911 10.627
354 HD2 TYR 50 2HD TYR 50 -4.743 18.733 12.576
355 HE1 TYR 50 1HE TYR 50 -2.648 14.396 11.391
356 HE2 TYR 50 2HE TYR 50 -2.441 18.219 13.340
357 HH TYR 50 HH TYR 50 -0.902 15.095 12.559
358 H HIS 51 H HIS 51 -4.934 18.523 7.723
359 HA HIS 51 HA HIS 51 -3.399 20.215 7.406
360 HB2 HIS 51 2HB HIS 51 -5.554 21.704 8.925
361 HB3 HIS 51 1HB HIS 51 -4.268 22.463 7.987
362 HD2 HIS 51 2HD HIS 51 -7.819 21.587 7.366
363 HE1 HIS 51 1HE HIS 51 -5.964 20.940 3.629
364 HE2 HIS 51 2HE HIS 51 -8.196 21.205 4.810
Start of MODEL 14
1 H1 GLY 9 H GLY 9 10.166 -15.366 5.545
2 HA2 GLY 9 2HA GLY 9 9.562 -13.831 7.952
3 HA3 GLY 9 1HA GLY 9 10.558 -13.015 6.750
4 H THR 10 H THR 10 9.191 -11.514 5.932
5 HA THR 10 HA THR 10 6.774 -12.502 4.561
6 HB THR 10 HB THR 10 5.512 -10.568 5.324
7 HG1 THR 10 1HG THR 10 7.993 -9.755 6.043
8 HG21 THR 10 3HG2 THR 10 6.847 -11.836 7.723
9 HG22 THR 10 1HG2 THR 10 5.656 -12.675 6.729
10 HG23 THR 10 2HG2 THR 10 5.199 -11.218 7.612
11 H LYS 11 H LYS 11 5.977 -9.920 3.707
12 HA LYS 11 HA LYS 11 8.179 -8.655 2.334
13 HB2 LYS 11 2HB LYS 11 7.796 -10.678 0.938
14 HB3 LYS 11 1HB LYS 11 6.127 -10.163 0.697
15 HG2 LYS 11 2HG LYS 11 6.877 -8.098 -0.370
16 HG3 LYS 11 1HG LYS 11 8.561 -8.516 -0.050
17 HD2 LYS 11 2HD LYS 11 8.323 -10.536 -1.456
18 HD3 LYS 11 1HD LYS 11 6.648 -10.101 -1.789
19 HE2 LYS 11 2HE LYS 11 8.026 -9.346 -3.644
20 HE3 LYS 11 1HE LYS 11 7.456 -7.934 -2.754
21 HZ1 LYS 11 3HZ LYS 11 10.135 -9.194 -2.638
22 HZ2 LYS 11 1HZ LYS 11 9.606 -8.061 -1.492
23 HZ3 LYS 11 2HZ LYS 11 9.744 -7.613 -3.125
24 H LYS 12 H LYS 12 7.695 -6.571 2.111
25 HA LYS 12 HA LYS 12 4.877 -5.767 1.772
26 HB2 LYS 12 2HB LYS 12 6.779 -4.364 3.656
27 HB3 LYS 12 1HB LYS 12 5.051 -4.075 3.454
28 HG2 LYS 12 2HG LYS 12 4.968 -5.438 5.318
29 HG3 LYS 12 1HG LYS 12 4.921 -6.678 4.069
30 HD2 LYS 12 2HD LYS 12 6.656 -7.516 5.347
31 HD3 LYS 12 1HD LYS 12 7.585 -6.463 4.280
32 HE2 LYS 12 2HE LYS 12 8.377 -5.789 6.363
33 HE3 LYS 12 1HE LYS 12 7.058 -4.642 6.125
34 HZ1 LYS 12 3HZ LYS 12 5.849 -6.818 7.225
35 HZ2 LYS 12 1HZ LYS 12 6.277 -5.400 8.050
36 HZ3 LYS 12 2HZ LYS 12 7.328 -6.735 8.060
37 H TYR 13 H TYR 13 5.461 -2.978 1.943
38 HA TYR 13 HA TYR 13 7.479 -2.443 -0.099
39 HB2 TYR 13 2HB TYR 13 4.673 -1.479 -0.604
40 HB3 TYR 13 1HB TYR 13 6.030 -1.578 -1.728
41 HD1 TYR 13 2HD TYR 13 6.828 -3.814 -2.532
42 HD2 TYR 13 1HD TYR 13 3.248 -3.360 -0.202
43 HE1 TYR 13 2HE TYR 13 6.089 -6.077 -3.226
44 HE2 TYR 13 1HE TYR 13 2.509 -5.623 -0.899
45 HH TYR 13 HH TYR 13 4.577 -7.687 -2.931
46 H ASP 14 H ASP 14 7.838 -0.137 -0.415
47 HA ASP 14 HA ASP 14 7.214 1.384 2.036
48 HB2 ASP 14 2HB ASP 14 9.620 0.996 1.352
49 HB3 ASP 14 1HB ASP 14 9.307 2.022 -0.047
50 H LEU 15 H LEU 15 5.459 2.610 1.793
51 HA LEU 15 HA LEU 15 4.969 3.940 -0.794
52 HB2 LEU 15 2HB LEU 15 3.032 3.879 1.510
53 HB3 LEU 15 1HB LEU 15 2.698 4.060 -0.212
54 HG LEU 15 HG LEU 15 3.724 1.545 1.144
55 HD11 LEU 15 1HD1 LEU 15 1.039 2.366 0.013
56 HD12 LEU 15 2HD1 LEU 15 1.400 1.815 1.650
57 HD13 LEU 15 3HD1 LEU 15 1.474 0.680 0.301
58 HD21 LEU 15 3HD2 LEU 15 4.629 1.672 -1.095
59 HD22 LEU 15 1HD2 LEU 15 3.076 2.194 -1.746
60 HD23 LEU 15 2HD2 LEU 15 3.270 0.550 -1.139
61 H SER 16 H SER 16 7.046 4.918 0.824
62 HA SER 16 HA SER 16 6.685 6.840 2.674
63 HB2 SER 16 2HB SER 16 8.885 6.515 1.860
64 HB3 SER 16 1HB SER 16 8.417 6.906 0.207
65 HG SER 16 HG SER 16 8.687 8.607 2.449
66 H LYS 17 H LYS 17 5.834 7.138 -0.741
67 HA LYS 17 HA LYS 17 3.985 9.278 -0.119
68 HB2 LYS 17 2HB LYS 17 4.964 10.913 -1.649
69 HB3 LYS 17 1HB LYS 17 6.107 10.512 -0.369
70 HG2 LYS 17 2HG LYS 17 7.577 10.162 -2.077
71 HG3 LYS 17 1HG LYS 17 6.744 8.621 -2.257
72 HD2 LYS 17 2HD LYS 17 6.644 9.478 -4.430
73 HD3 LYS 17 1HD LYS 17 5.090 9.986 -3.770
74 HE2 LYS 17 2HE LYS 17 6.311 12.156 -3.073
75 HE3 LYS 17 1HE LYS 17 7.581 11.640 -4.181
76 HZ1 LYS 17 3HZ LYS 17 6.378 12.412 -5.850
77 HZ2 LYS 17 1HZ LYS 17 5.140 12.877 -4.788
78 HZ3 LYS 17 2HZ LYS 17 5.129 11.323 -5.475
79 H TRP 18 H TRP 18 2.258 9.110 -1.400
80 HA TRP 18 HA TRP 18 2.547 7.902 -4.075
81 HB2 TRP 18 2HB TRP 18 0.892 6.910 -1.787
82 HB3 TRP 18 1HB TRP 18 0.227 6.782 -3.414
83 HD1 TRP 18 HD TRP 18 3.558 5.930 -1.625
84 HE1 TRP 18 1HE TRP 18 4.458 3.732 -2.623
85 HE3 TRP 18 3HE TRP 18 -0.015 5.043 -5.163
86 HZ2 TRP 18 2HZ TRP 18 3.753 1.843 -4.653
87 HZ3 TRP 18 3HZ TRP 18 0.123 3.037 -6.612
88 HH2 TRP 18 HH TRP 18 2.000 1.436 -6.361
89 H LYS 19 H LYS 19 0.553 8.234 -5.400
90 HA LYS 19 HA LYS 19 -0.606 10.890 -4.807
91 HB2 LYS 19 2HB LYS 19 -0.113 9.422 -7.403
92 HB3 LYS 19 1HB LYS 19 -1.131 10.857 -7.299
93 HG2 LYS 19 2HG LYS 19 0.991 11.726 -7.859
94 HG3 LYS 19 1HG LYS 19 0.893 11.966 -6.116
95 HD2 LYS 19 2HD LYS 19 2.293 10.081 -5.680
96 HD3 LYS 19 1HD LYS 19 2.149 9.499 -7.338
97 HE2 LYS 19 2HE LYS 19 3.316 11.563 -8.121
98 HE3 LYS 19 1HE LYS 19 3.547 12.032 -6.436
99 HZ1 LYS 19 3HZ LYS 19 4.904 10.175 -6.043
100 HZ2 LYS 19 1HZ LYS 19 5.442 10.808 -7.521
101 HZ3 LYS 19 2HZ LYS 19 4.456 9.423 -7.499
102 H TYR 20 H TYR 20 -2.803 11.212 -4.881
103 HA TYR 20 HA TYR 20 -4.526 9.183 -4.100
104 HB2 TYR 20 2HB TYR 20 -5.052 11.578 -3.877
105 HB3 TYR 20 1HB TYR 20 -5.232 11.702 -5.627
106 HD1 TYR 20 1HD TYR 20 -7.020 10.335 -6.787
107 HD2 TYR 20 2HD TYR 20 -6.811 10.729 -2.514
108 HE1 TYR 20 1HE TYR 20 -9.372 9.571 -6.601
109 HE2 TYR 20 2HE TYR 20 -9.163 9.965 -2.328
110 HH TYR 20 HH TYR 20 -10.808 8.461 -4.821
111 H ALA 21 H ALA 21 -3.708 10.306 -7.342
112 HA ALA 21 HA ALA 21 -5.680 8.763 -8.709
113 HB1 ALA 21 1HB ALA 21 -4.435 10.774 -9.626
114 HB2 ALA 21 2HB ALA 21 -4.535 9.387 -10.711
115 HB3 ALA 21 3HB ALA 21 -3.041 9.713 -9.832
116 H GLU 22 H GLU 22 -2.251 8.247 -7.942
117 HA GLU 22 HA GLU 22 -1.969 5.785 -9.305
118 HB2 GLU 22 2HB GLU 22 -0.486 6.991 -6.965
119 HB3 GLU 22 1HB GLU 22 -0.023 5.461 -7.711
120 HG2 GLU 22 2HG GLU 22 -0.384 7.985 -9.331
121 HG3 GLU 22 1HG GLU 22 1.157 7.566 -8.587
122 H LEU 23 H LEU 23 -2.846 6.573 -5.959
123 HA LEU 23 HA LEU 23 -2.986 3.907 -5.014
124 HB2 LEU 23 2HB LEU 23 -4.463 6.372 -4.061
125 HB3 LEU 23 1HB LEU 23 -4.304 4.866 -3.161
126 HG LEU 23 HG LEU 23 -1.885 6.375 -4.151
127 HD11 LEU 23 1HD1 LEU 23 -1.783 7.249 -1.751
128 HD12 LEU 23 2HD1 LEU 23 -3.476 6.775 -1.610
129 HD13 LEU 23 3HD1 LEU 23 -2.996 7.994 -2.792
130 HD21 LEU 23 3HD2 LEU 23 -1.359 4.150 -3.450
131 HD22 LEU 23 1HD2 LEU 23 -2.420 4.263 -2.045
132 HD23 LEU 23 2HD2 LEU 23 -0.918 5.185 -2.095
133 H ARG 24 H ARG 24 -5.467 6.104 -6.306
134 HA ARG 24 HA ARG 24 -7.604 4.230 -6.054
135 HB2 ARG 24 2HB ARG 24 -7.944 6.686 -6.206
136 HB3 ARG 24 1HB ARG 24 -7.383 6.639 -7.876
137 HG2 ARG 24 2HG ARG 24 -9.825 6.603 -7.839
138 HG3 ARG 24 1HG ARG 24 -9.226 5.053 -8.423
139 HD2 ARG 24 2HD ARG 24 -9.843 3.930 -6.487
140 HD3 ARG 24 1HD ARG 24 -9.715 5.371 -5.483
141 HE ARG 24 HE ARG 24 -11.931 5.837 -5.976
142 HH11 ARG 24 1HH2 ARG 24 -10.613 3.568 -8.230
143 HH12 ARG 24 2HH2 ARG 24 -12.126 3.253 -9.011
144 HH21 ARG 24 1HH1 ARG 24 -13.921 5.430 -6.995
145 HH22 ARG 24 2HH1 ARG 24 -14.000 4.308 -8.313
146 H ASP 25 H ASP 25 -5.266 4.984 -8.568
147 HA ASP 25 HA ASP 25 -6.563 3.455 -10.618
148 HB2 ASP 25 2HB ASP 25 -3.811 4.651 -10.321
149 HB3 ASP 25 1HB ASP 25 -4.265 3.682 -11.719
150 H THR 26 H THR 26 -3.751 2.902 -8.499
151 HA THR 26 HA THR 26 -2.979 0.404 -9.433
152 HB THR 26 HB THR 26 -2.938 1.462 -6.597
153 HG1 THR 26 1HG THR 26 -1.581 2.717 -7.627
154 HG21 THR 26 3HG2 THR 26 -2.646 -0.894 -6.438
155 HG22 THR 26 1HG2 THR 26 -1.016 -0.221 -6.422
156 HG23 THR 26 2HG2 THR 26 -1.655 -0.943 -7.898
157 H ILE 27 H ILE 27 -5.527 1.248 -7.128
158 HA ILE 27 HA ILE 27 -6.178 -1.469 -6.482
159 HB ILE 27 HB ILE 27 -7.750 1.094 -6.125
160 HG12 ILE 27 2HG1 ILE 27 -6.239 -0.536 -4.068
161 HG13 ILE 27 1HG1 ILE 27 -5.504 0.815 -4.933
162 HG21 ILE 27 1HG2 ILE 27 -8.218 -1.752 -5.232
163 HG22 ILE 27 2HG2 ILE 27 -9.344 -0.654 -6.028
164 HG23 ILE 27 3HG2 ILE 27 -8.896 -0.388 -4.345
165 HD11 ILE 27 3HD1 ILE 27 -8.129 1.126 -3.474
166 HD12 ILE 27 1HD1 ILE 27 -7.006 2.384 -3.991
167 HD13 ILE 27 2HD1 ILE 27 -6.585 1.326 -2.644
168 H ASN 28 H ASN 28 -7.244 0.863 -8.880
169 HA ASN 28 HA ASN 28 -9.395 -0.904 -9.793
170 HB2 ASN 28 2HB ASN 28 -8.528 1.880 -10.579
171 HB3 ASN 28 1HB ASN 28 -9.779 0.986 -11.443
172 HD21 ASN 28 1HD2 ASN 28 -8.994 1.559 -7.956
173 HD22 ASN 28 2HD2 ASN 28 -10.584 1.967 -7.525
174 H THR 29 H THR 29 -6.256 -1.123 -10.122
175 HA THR 29 HA THR 29 -6.419 -2.038 -12.925
176 HB THR 29 HB THR 29 -4.087 -1.199 -13.267
177 HG1 THR 29 1HG THR 29 -4.128 0.687 -11.396
178 HG21 THR 29 3HG2 THR 29 -6.240 0.816 -12.574
179 HG22 THR 29 1HG2 THR 29 -5.929 0.096 -14.153
180 HG23 THR 29 2HG2 THR 29 -4.761 1.215 -13.449
181 H SER 30 H SER 30 -4.317 -2.002 -10.039
182 HA SER 30 HA SER 30 -3.247 -4.622 -10.706
183 HB2 SER 30 2HB SER 30 -2.046 -2.592 -9.536
184 HB3 SER 30 1HB SER 30 -2.768 -3.265 -8.077
185 HG SER 30 HG SER 30 -0.861 -4.355 -9.822
186 H CYS 31 H CYS 31 -3.079 -6.167 -8.702
187 HA CYS 31 HA CYS 31 -5.422 -6.205 -7.003
188 HB2 CYS 31 2HB CYS 31 -6.302 -7.128 -9.128
189 HB3 CYS 31 1HB CYS 31 -5.058 -8.378 -9.077
190 HG CYS 31 HG CYS 31 -6.589 -8.424 -6.490
191 H ASP 32 H ASP 32 -4.774 -6.969 -5.108
192 HA ASP 32 HA ASP 32 -3.302 -9.368 -4.770
193 HB2 ASP 32 2HB ASP 32 -1.570 -7.532 -5.571
194 HB3 ASP 32 1HB ASP 32 -1.660 -7.025 -3.887
195 H ILE 33 H ILE 33 -2.907 -9.852 -2.508
196 HA ILE 33 HA ILE 33 -4.905 -8.616 -0.797
197 HB ILE 33 HB ILE 33 -2.972 -10.878 -0.233
198 HG12 ILE 33 2HG1 ILE 33 -5.916 -11.024 -0.932
199 HG13 ILE 33 1HG1 ILE 33 -4.637 -11.209 -2.132
200 HG21 ILE 33 1HG2 ILE 33 -5.324 -9.698 1.246
201 HG22 ILE 33 2HG2 ILE 33 -3.713 -10.067 1.861
202 HG23 ILE 33 3HG2 ILE 33 -4.837 -11.375 1.497
203 HD11 ILE 33 3HD1 ILE 33 -4.841 -12.890 0.381
204 HD12 ILE 33 1HD1 ILE 33 -3.738 -13.134 -0.975
205 HD13 ILE 33 2HD1 ILE 33 -5.470 -13.391 -1.190
206 H GLU 34 H GLU 34 -1.713 -8.009 -1.544
207 HA GLU 34 HA GLU 34 -1.082 -6.946 1.139
208 HB2 GLU 34 2HB GLU 34 0.806 -7.205 -1.204
209 HB3 GLU 34 1HB GLU 34 1.210 -6.977 0.497
210 HG2 GLU 34 2HG GLU 34 0.197 -9.191 1.007
211 HG3 GLU 34 1HG GLU 34 -0.106 -9.424 -0.714
212 H LEU 35 H LEU 35 -0.598 -6.014 -2.285
213 HA LEU 35 HA LEU 35 -0.058 -3.320 -1.848
214 HB2 LEU 35 2HB LEU 35 -1.308 -4.772 -4.176
215 HB3 LEU 35 1HB LEU 35 -1.029 -3.033 -4.215
216 HG LEU 35 HG LEU 35 1.127 -5.078 -3.616
217 HD11 LEU 35 1HD1 LEU 35 0.719 -3.532 -6.185
218 HD12 LEU 35 2HD1 LEU 35 0.137 -5.181 -5.958
219 HD13 LEU 35 3HD1 LEU 35 1.865 -4.838 -5.885
220 HD21 LEU 35 3HD2 LEU 35 2.015 -3.121 -2.773
221 HD22 LEU 35 1HD2 LEU 35 1.005 -2.096 -3.791
222 HD23 LEU 35 2HD2 LEU 35 2.432 -2.880 -4.468
223 H LEU 36 H LEU 36 -3.211 -4.836 -2.570
224 HA LEU 36 HA LEU 36 -4.769 -2.520 -2.470
225 HB2 LEU 36 2HB LEU 36 -5.510 -5.334 -1.628
226 HB3 LEU 36 1HB LEU 36 -6.657 -4.034 -1.940
227 HG LEU 36 HG LEU 36 -4.687 -5.159 -3.955
228 HD11 LEU 36 1HD1 LEU 36 -7.703 -5.338 -4.021
229 HD12 LEU 36 2HD1 LEU 36 -6.720 -6.576 -3.241
230 HD13 LEU 36 3HD1 LEU 36 -6.532 -6.258 -4.965
231 HD21 LEU 36 3HD2 LEU 36 -6.596 -2.845 -3.958
232 HD22 LEU 36 1HD2 LEU 36 -6.388 -3.759 -5.452
233 HD23 LEU 36 2HD2 LEU 36 -5.001 -2.980 -4.695
234 H ALA 37 H ALA 37 -3.956 -4.792 0.149
235 HA ALA 37 HA ALA 37 -5.331 -3.382 2.185
236 HB1 ALA 37 1HB ALA 37 -4.211 -4.810 3.718
237 HB2 ALA 37 2HB ALA 37 -2.866 -5.073 2.607
238 HB3 ALA 37 3HB ALA 37 -4.446 -5.780 2.265
239 H ALA 38 H ALA 38 -2.104 -3.125 0.826
240 HA ALA 38 HA ALA 38 -1.117 -1.316 2.833
241 HB1 ALA 38 1HB ALA 38 -0.004 -1.626 0.049
242 HB2 ALA 38 2HB ALA 38 0.260 -2.846 1.294
243 HB3 ALA 38 3HB ALA 38 0.852 -1.202 1.531
244 H CYS 39 H CYS 39 -2.672 -1.021 -0.302
245 HA CYS 39 HA CYS 39 -2.205 1.781 -0.616
246 HB2 CYS 39 2HB CYS 39 -2.723 0.273 -2.512
247 HB3 CYS 39 1HB CYS 39 -4.346 0.040 -1.864
248 HG CYS 39 HG CYS 39 -3.300 2.634 -3.197
249 H ARG 40 H ARG 40 -5.069 -0.112 0.358
250 HA ARG 40 HA ARG 40 -6.842 1.954 0.835
251 HB2 ARG 40 2HB ARG 40 -6.476 -0.689 2.249
252 HB3 ARG 40 1HB ARG 40 -7.813 0.403 2.605
253 HG2 ARG 40 2HG ARG 40 -8.685 0.230 0.400
254 HG3 ARG 40 1HG ARG 40 -7.199 -0.498 -0.213
255 HD2 ARG 40 2HD ARG 40 -9.240 -2.048 0.271
256 HD3 ARG 40 1HD ARG 40 -7.641 -2.565 0.797
257 HE ARG 40 HE ARG 40 -9.107 -1.060 2.792
258 HH11 ARG 40 1HH2 ARG 40 -8.447 -4.149 1.376
259 HH12 ARG 40 2HH2 ARG 40 -8.888 -5.045 2.792
260 HH21 ARG 40 1HH1 ARG 40 -9.685 -2.229 4.652
261 HH22 ARG 40 2HH1 ARG 40 -9.588 -3.958 4.646
262 H GLU 41 H GLU 41 -4.236 0.751 2.888
263 HA GLU 41 HA GLU 41 -4.835 2.068 5.268
264 HB2 GLU 41 2HB GLU 41 -2.233 1.274 3.977
265 HB3 GLU 41 1HB GLU 41 -2.264 2.099 5.535
266 HG2 GLU 41 2HG GLU 41 -3.465 0.341 6.572
267 HG3 GLU 41 1HG GLU 41 -3.937 -0.361 5.026
268 H GLU 42 H GLU 42 -2.842 3.231 2.543
269 HA GLU 42 HA GLU 42 -2.392 5.809 3.664
270 HB2 GLU 42 2HB GLU 42 -2.358 5.235 0.708
271 HB3 GLU 42 1HB GLU 42 -1.345 6.346 1.631
272 HG2 GLU 42 2HG GLU 42 -1.256 3.321 1.684
273 HG3 GLU 42 1HG GLU 42 -0.007 4.410 1.085
274 H PHE 43 H PHE 43 -4.730 4.559 1.303
275 HA PHE 43 HA PHE 43 -5.947 6.887 0.477
276 HB2 PHE 43 2HB PHE 43 -6.462 4.478 -0.218
277 HB3 PHE 43 1HB PHE 43 -7.521 4.413 1.192
278 HD1 PHE 43 2HD PHE 43 -9.378 6.137 1.414
279 HD2 PHE 43 1HD PHE 43 -7.152 5.564 -2.214
280 HE1 PHE 43 2HE PHE 43 -11.156 7.303 0.139
281 HE2 PHE 43 1HE PHE 43 -8.930 6.727 -3.491
282 HZ PHE 43 HZ PHE 43 -10.933 7.599 -2.314
283 H HIS 44 H HIS 44 -6.323 5.188 3.535
284 HA HIS 44 HA HIS 44 -8.550 6.730 4.455
285 HB2 HIS 44 2HB HIS 44 -6.568 4.906 5.803
286 HB3 HIS 44 1HB HIS 44 -7.773 5.801 6.729
287 HD2 HIS 44 2HD HIS 44 -7.555 2.456 5.035
288 HE1 HIS 44 1HE HIS 44 -11.654 3.450 4.901
289 HE2 HIS 44 2HE HIS 44 -9.971 1.574 4.592
290 H ARG 45 H ARG 45 -5.048 7.008 4.717
291 HA ARG 45 HA ARG 45 -4.930 8.998 6.703
292 HB2 ARG 45 2HB ARG 45 -3.056 8.527 4.371
293 HB3 ARG 45 1HB ARG 45 -2.691 9.489 5.804
294 HG2 ARG 45 2HG ARG 45 -3.126 7.453 7.208
295 HG3 ARG 45 1HG ARG 45 -3.293 6.520 5.720
296 HD2 ARG 45 2HD ARG 45 -1.001 6.361 6.659
297 HD3 ARG 45 1HD ARG 45 -1.011 7.104 5.062
298 HE ARG 45 HE ARG 45 -1.174 9.227 6.792
299 HH11 ARG 45 1HH2 ARG 45 0.922 6.503 6.378
300 HH12 ARG 45 2HH2 ARG 45 2.325 7.316 6.987
301 HH21 ARG 45 1HH1 ARG 45 0.661 10.298 7.591
302 HH22 ARG 45 2HH1 ARG 45 2.178 9.465 7.673
303 H ARG 46 H ARG 46 -5.675 9.142 3.298
304 HA ARG 46 HA ARG 46 -5.280 11.947 2.960
305 HB2 ARG 46 2HB ARG 46 -7.268 10.376 1.347
306 HB3 ARG 46 1HB ARG 46 -6.185 11.667 0.828
307 HG2 ARG 46 2HG ARG 46 -5.381 8.849 1.607
308 HG3 ARG 46 1HG ARG 46 -5.355 9.534 -0.016
309 HD2 ARG 46 2HD ARG 46 -3.735 11.267 0.822
310 HD3 ARG 46 1HD ARG 46 -3.662 10.388 2.346
311 HE ARG 46 HE ARG 46 -3.040 8.438 0.627
312 HH11 ARG 46 1HH2 ARG 46 -2.023 11.745 0.803
313 HH12 ARG 46 2HH2 ARG 46 -0.466 11.445 0.106
314 HH21 ARG 46 1HH1 ARG 46 -0.998 8.042 -0.283
315 HH22 ARG 46 2HH1 ARG 46 0.114 9.349 -0.507
316 H LEU 47 H LEU 47 -8.018 9.935 3.900
317 HA LEU 47 HA LEU 47 -9.941 12.056 3.871
318 HB2 LEU 47 2HB LEU 47 -10.226 9.592 5.566
319 HB3 LEU 47 1HB LEU 47 -11.464 10.483 4.680
320 HG LEU 47 HG LEU 47 -9.277 8.752 3.493
321 HD11 LEU 47 1HD1 LEU 47 -11.139 7.460 4.372
322 HD12 LEU 47 2HD1 LEU 47 -11.257 7.489 2.613
323 HD13 LEU 47 3HD1 LEU 47 -12.300 8.529 3.584
324 HD21 LEU 47 3HD2 LEU 47 -10.561 9.300 1.334
325 HD22 LEU 47 1HD2 LEU 47 -9.539 10.581 1.986
326 HD23 LEU 47 2HD2 LEU 47 -11.284 10.633 2.234
327 H LYS 48 H LYS 48 -7.838 10.621 6.313
328 HA LYS 48 HA LYS 48 -8.833 11.625 8.658
329 HB2 LYS 48 2HB LYS 48 -6.783 10.217 8.428
330 HB3 LYS 48 1HB LYS 48 -5.905 11.651 7.896
331 HG2 LYS 48 2HG LYS 48 -6.302 12.763 10.004
332 HG3 LYS 48 1HG LYS 48 -7.393 11.483 10.529
333 HD2 LYS 48 2HD LYS 48 -5.317 11.027 11.611
334 HD3 LYS 48 1HD LYS 48 -5.415 9.880 10.276
335 HE2 LYS 48 2HE LYS 48 -3.896 11.147 8.943
336 HE3 LYS 48 1HE LYS 48 -4.025 12.553 10.000
337 HZ1 LYS 48 3HZ LYS 48 -1.981 11.099 10.249
338 HZ2 LYS 48 1HZ LYS 48 -3.004 9.957 10.977
339 HZ3 LYS 48 2HZ LYS 48 -2.819 11.495 11.674
340 H VAL 49 H VAL 49 -6.087 13.302 7.153
341 HA VAL 49 HA VAL 49 -6.331 15.719 8.398
342 HB VAL 49 HB VAL 49 -4.468 15.180 6.912
343 HG11 VAL 49 1HG1 VAL 49 -6.112 14.146 5.169
344 HG12 VAL 49 2HG1 VAL 49 -4.670 14.973 4.580
345 HG13 VAL 49 3HG1 VAL 49 -6.231 15.791 4.545
346 HG21 VAL 49 3HG2 VAL 49 -4.188 17.369 5.944
347 HG22 VAL 49 1HG2 VAL 49 -5.125 17.579 7.423
348 HG23 VAL 49 2HG2 VAL 49 -5.931 17.614 5.855
349 H TYR 50 H TYR 50 -7.969 17.080 8.597
350 HA TYR 50 HA TYR 50 -9.341 18.208 6.389
351 HB2 TYR 50 2HB TYR 50 -10.415 15.915 6.490
352 HB3 TYR 50 1HB TYR 50 -11.059 16.376 8.066
353 HD1 TYR 50 2HD TYR 50 -11.080 17.171 4.447
354 HD2 TYR 50 1HD TYR 50 -12.857 17.961 8.277
355 HE1 TYR 50 2HE TYR 50 -12.929 18.393 3.336
356 HE2 TYR 50 1HE TYR 50 -14.707 19.184 7.165
357 HH TYR 50 HH TYR 50 -14.834 20.486 4.708
358 H HIS 51 H HIS 51 -8.679 20.070 7.546
359 HA HIS 51 HA HIS 51 -8.976 21.831 8.989
360 HB2 HIS 51 2HB HIS 51 -11.381 21.387 8.169
361 HB3 HIS 51 1HB HIS 51 -11.634 20.620 9.736
362 HD2 HIS 51 2HD HIS 51 -9.888 22.865 11.528
363 HE1 HIS 51 1HE HIS 51 -12.690 25.607 9.968
364 HE2 HIS 51 2HE HIS 51 -10.950 25.235 11.778
Start of MODEL 15
1 H1 GLY 9 H GLY 9 10.455 -13.630 7.336
2 HA2 GLY 9 2HA GLY 9 9.651 -14.893 4.861
3 HA3 GLY 9 1HA GLY 9 8.920 -15.132 6.446
4 H THR 10 H THR 10 9.406 -12.195 4.489
5 HA THR 10 HA THR 10 6.683 -11.928 3.721
6 HB THR 10 HB THR 10 6.348 -11.490 6.111
7 HG1 THR 10 1HG THR 10 5.540 -9.317 5.839
8 HG21 THR 10 3HG2 THR 10 8.293 -9.199 5.735
9 HG22 THR 10 1HG2 THR 10 8.700 -10.720 6.528
10 HG23 THR 10 2HG2 THR 10 7.477 -9.661 7.229
11 H LYS 11 H LYS 11 6.407 -10.269 2.261
12 HA LYS 11 HA LYS 11 8.720 -8.478 1.809
13 HB2 LYS 11 2HB LYS 11 8.432 -10.503 0.187
14 HB3 LYS 11 1HB LYS 11 7.087 -9.573 -0.467
15 HG2 LYS 11 2HG LYS 11 8.815 -8.776 -1.798
16 HG3 LYS 11 1HG LYS 11 8.875 -7.608 -0.479
17 HD2 LYS 11 2HD LYS 11 10.653 -8.901 0.615
18 HD3 LYS 11 1HD LYS 11 10.569 -10.119 -0.659
19 HE2 LYS 11 2HE LYS 11 12.423 -8.402 -0.931
20 HE3 LYS 11 1HE LYS 11 11.342 -8.563 -2.315
21 HZ1 LYS 11 3HZ LYS 11 10.098 -6.654 -1.526
22 HZ2 LYS 11 1HZ LYS 11 11.727 -6.246 -1.755
23 HZ3 LYS 11 2HZ LYS 11 11.130 -6.503 -0.185
24 H LYS 12 H LYS 12 7.793 -6.652 2.649
25 HA LYS 12 HA LYS 12 5.103 -5.866 1.828
26 HB2 LYS 12 2HB LYS 12 5.644 -3.851 3.303
27 HB3 LYS 12 1HB LYS 12 5.555 -5.414 4.111
28 HG2 LYS 12 2HG LYS 12 8.220 -4.581 3.042
29 HG3 LYS 12 1HG LYS 12 7.631 -3.740 4.473
30 HD2 LYS 12 2HD LYS 12 7.452 -6.734 4.423
31 HD3 LYS 12 1HD LYS 12 9.030 -5.997 4.690
32 HE2 LYS 12 2HE LYS 12 7.483 -6.511 6.750
33 HE3 LYS 12 1HE LYS 12 8.372 -4.990 6.693
34 HZ1 LYS 12 3HZ LYS 12 6.203 -4.243 5.426
35 HZ2 LYS 12 1HZ LYS 12 6.304 -4.202 7.118
36 HZ3 LYS 12 2HZ LYS 12 5.515 -5.494 6.347
37 H TYR 13 H TYR 13 5.278 -3.156 1.676
38 HA TYR 13 HA TYR 13 7.210 -2.555 -0.467
39 HB2 TYR 13 2HB TYR 13 4.256 -1.917 -0.648
40 HB3 TYR 13 1HB TYR 13 5.487 -1.596 -1.869
41 HD1 TYR 13 2HD TYR 13 6.464 -3.409 -3.194
42 HD2 TYR 13 1HD TYR 13 3.445 -4.185 -0.237
43 HE1 TYR 13 2HE TYR 13 6.127 -5.678 -4.133
44 HE2 TYR 13 1HE TYR 13 3.108 -6.455 -1.177
45 HH TYR 13 HH TYR 13 4.138 -8.056 -2.523
46 H ASP 14 H ASP 14 7.759 -0.373 -0.651
47 HA ASP 14 HA ASP 14 7.143 1.227 1.734
48 HB2 ASP 14 2HB ASP 14 9.011 2.678 0.844
49 HB3 ASP 14 1HB ASP 14 9.484 1.040 1.290
50 H LEU 15 H LEU 15 5.383 2.462 1.538
51 HA LEU 15 HA LEU 15 4.857 3.808 -1.041
52 HB2 LEU 15 2HB LEU 15 2.883 3.614 1.222
53 HB3 LEU 15 1HB LEU 15 2.576 3.847 -0.497
54 HG LEU 15 HG LEU 15 3.650 1.311 0.778
55 HD11 LEU 15 1HD1 LEU 15 1.333 1.470 1.299
56 HD12 LEU 15 2HD1 LEU 15 1.407 0.444 -0.133
57 HD13 LEU 15 3HD1 LEU 15 0.942 2.139 -0.286
58 HD21 LEU 15 3HD2 LEU 15 4.541 1.568 -1.469
59 HD22 LEU 15 1HD2 LEU 15 2.955 2.025 -2.088
60 HD23 LEU 15 2HD2 LEU 15 3.241 0.380 -1.528
61 H SER 16 H SER 16 6.816 4.661 0.982
62 HA SER 16 HA SER 16 6.179 6.606 2.738
63 HB2 SER 16 2HB SER 16 8.488 6.113 2.265
64 HB3 SER 16 1HB SER 16 8.330 6.708 0.615
65 HG SER 16 HG SER 16 9.240 8.162 2.327
66 H LYS 17 H LYS 17 6.276 7.049 -0.790
67 HA LYS 17 HA LYS 17 4.516 9.399 -0.466
68 HB2 LYS 17 2HB LYS 17 6.552 9.418 -2.650
69 HB3 LYS 17 1HB LYS 17 5.835 10.765 -1.767
70 HG2 LYS 17 2HG LYS 17 7.103 9.898 0.284
71 HG3 LYS 17 1HG LYS 17 8.001 8.876 -0.837
72 HD2 LYS 17 2HD LYS 17 7.825 11.897 -0.878
73 HD3 LYS 17 1HD LYS 17 9.250 10.926 -0.504
74 HE2 LYS 17 2HE LYS 17 8.900 9.898 -2.866
75 HE3 LYS 17 1HE LYS 17 7.879 11.305 -3.161
76 HZ1 LYS 17 3HZ LYS 17 10.444 11.355 -3.633
77 HZ2 LYS 17 1HZ LYS 17 10.521 11.743 -1.984
78 HZ3 LYS 17 2HZ LYS 17 9.630 12.726 -3.047
79 H TRP 18 H TRP 18 2.760 9.320 -1.720
80 HA TRP 18 HA TRP 18 2.815 7.860 -4.259
81 HB2 TRP 18 2HB TRP 18 1.263 7.055 -1.839
82 HB3 TRP 18 1HB TRP 18 0.448 6.943 -3.398
83 HD1 TRP 18 HD TRP 18 3.761 5.803 -1.762
84 HE1 TRP 18 1HE TRP 18 4.442 3.551 -2.812
85 HE3 TRP 18 3HE TRP 18 0.051 5.287 -5.233
86 HZ2 TRP 18 2HZ TRP 18 3.533 1.762 -4.848
87 HZ3 TRP 18 3HZ TRP 18 -0.020 3.299 -6.710
88 HH2 TRP 18 HH TRP 18 1.714 1.535 -6.523
89 H LYS 19 H LYS 19 0.704 8.205 -5.451
90 HA LYS 19 HA LYS 19 -0.280 10.949 -4.928
91 HB2 LYS 19 2HB LYS 19 0.007 9.426 -7.529
92 HB3 LYS 19 1HB LYS 19 -0.784 10.994 -7.378
93 HG2 LYS 19 2HG LYS 19 1.349 11.708 -7.911
94 HG3 LYS 19 1HG LYS 19 1.511 11.631 -6.159
95 HD2 LYS 19 2HD LYS 19 2.473 9.372 -6.334
96 HD3 LYS 19 1HD LYS 19 2.277 9.416 -8.087
97 HE2 LYS 19 2HE LYS 19 3.715 11.527 -8.055
98 HE3 LYS 19 1HE LYS 19 4.094 11.126 -6.381
99 HZ1 LYS 19 3HZ LYS 19 5.403 9.437 -6.995
100 HZ2 LYS 19 1HZ LYS 19 5.454 10.214 -8.500
101 HZ3 LYS 19 2HZ LYS 19 4.366 8.934 -8.244
102 H TYR 20 H TYR 20 -2.453 11.352 -4.941
103 HA TYR 20 HA TYR 20 -4.242 9.400 -4.125
104 HB2 TYR 20 2HB TYR 20 -4.519 11.938 -4.046
105 HB3 TYR 20 1HB TYR 20 -5.069 11.826 -5.718
106 HD1 TYR 20 1HD TYR 20 -7.050 10.336 -6.265
107 HD2 TYR 20 2HD TYR 20 -5.954 11.362 -2.240
108 HE1 TYR 20 1HE TYR 20 -9.306 9.668 -5.480
109 HE2 TYR 20 2HE TYR 20 -8.210 10.695 -1.456
110 HH TYR 20 HH TYR 20 -10.115 9.630 -2.033
111 H ALA 21 H ALA 21 -3.397 10.440 -7.379
112 HA ALA 21 HA ALA 21 -5.481 8.980 -8.696
113 HB1 ALA 21 1HB ALA 21 -2.878 10.158 -9.686
114 HB2 ALA 21 2HB ALA 21 -4.494 10.841 -9.853
115 HB3 ALA 21 3HB ALA 21 -4.059 9.379 -10.738
116 H GLU 22 H GLU 22 -2.185 8.284 -7.700
117 HA GLU 22 HA GLU 22 -1.976 5.824 -9.173
118 HB2 GLU 22 2HB GLU 22 -0.368 7.065 -6.940
119 HB3 GLU 22 1HB GLU 22 -0.004 5.462 -7.582
120 HG2 GLU 22 2HG GLU 22 -0.253 7.917 -9.334
121 HG3 GLU 22 1HG GLU 22 1.280 7.378 -8.654
122 H LEU 23 H LEU 23 -2.525 6.638 -5.744
123 HA LEU 23 HA LEU 23 -2.751 4.058 -4.726
124 HB2 LEU 23 2HB LEU 23 -4.312 6.518 -3.896
125 HB3 LEU 23 1HB LEU 23 -4.094 5.065 -2.924
126 HG LEU 23 HG LEU 23 -1.768 6.689 -3.973
127 HD11 LEU 23 1HD1 LEU 23 -3.267 8.050 -2.483
128 HD12 LEU 23 2HD1 LEU 23 -1.657 7.788 -1.814
129 HD13 LEU 23 3HD1 LEU 23 -3.022 6.845 -1.219
130 HD21 LEU 23 3HD2 LEU 23 -2.125 4.488 -1.929
131 HD22 LEU 23 1HD2 LEU 23 -0.706 5.535 -1.920
132 HD23 LEU 23 2HD2 LEU 23 -1.043 4.520 -3.320
133 H ARG 24 H ARG 24 -5.275 6.142 -6.118
134 HA ARG 24 HA ARG 24 -7.371 4.227 -5.815
135 HB2 ARG 24 2HB ARG 24 -7.644 6.736 -6.101
136 HB3 ARG 24 1HB ARG 24 -7.276 6.494 -7.809
137 HG2 ARG 24 2HG ARG 24 -9.583 6.311 -7.885
138 HG3 ARG 24 1HG ARG 24 -9.167 4.623 -7.592
139 HD2 ARG 24 2HD ARG 24 -9.361 5.164 -5.097
140 HD3 ARG 24 1HD ARG 24 -10.103 6.684 -5.587
141 HE ARG 24 HE ARG 24 -11.308 4.305 -6.746
142 HH11 ARG 24 1HH2 ARG 24 -11.245 6.610 -4.167
143 HH12 ARG 24 2HH2 ARG 24 -12.888 6.333 -3.694
144 HH21 ARG 24 1HH1 ARG 24 -13.465 3.936 -6.133
145 HH22 ARG 24 2HH1 ARG 24 -14.144 4.820 -4.808
146 H ASP 25 H ASP 25 -5.435 5.277 -8.617
147 HA ASP 25 HA ASP 25 -6.552 3.605 -10.542
148 HB2 ASP 25 2HB ASP 25 -4.987 5.375 -11.122
149 HB3 ASP 25 1HB ASP 25 -3.687 4.541 -10.271
150 H THR 26 H THR 26 -3.745 2.981 -8.433
151 HA THR 26 HA THR 26 -3.086 0.437 -9.333
152 HB THR 26 HB THR 26 -2.953 1.548 -6.520
153 HG1 THR 26 1HG THR 26 -1.792 2.600 -8.284
154 HG21 THR 26 3HG2 THR 26 -1.096 -0.203 -6.340
155 HG22 THR 26 1HG2 THR 26 -1.783 -0.930 -7.792
156 HG23 THR 26 2HG2 THR 26 -2.749 -0.816 -6.321
157 H ILE 27 H ILE 27 -5.477 1.390 -6.887
158 HA ILE 27 HA ILE 27 -6.256 -1.302 -6.280
159 HB ILE 27 HB ILE 27 -7.634 1.341 -5.753
160 HG12 ILE 27 2HG1 ILE 27 -6.120 -0.457 -3.845
161 HG13 ILE 27 1HG1 ILE 27 -5.350 0.877 -4.703
162 HG21 ILE 27 1HG2 ILE 27 -9.324 -0.329 -5.635
163 HG22 ILE 27 2HG2 ILE 27 -8.794 -0.099 -3.968
164 HG23 ILE 27 3HG2 ILE 27 -8.229 -1.493 -4.889
165 HD11 ILE 27 3HD1 ILE 27 -7.853 1.269 -3.056
166 HD12 ILE 27 1HD1 ILE 27 -6.729 2.498 -3.638
167 HD13 ILE 27 2HD1 ILE 27 -6.240 1.395 -2.351
168 H ASN 28 H ASN 28 -7.086 1.006 -8.717
169 HA ASN 28 HA ASN 28 -9.479 -0.533 -9.495
170 HB2 ASN 28 2HB ASN 28 -8.470 2.210 -10.255
171 HB3 ASN 28 1HB ASN 28 -9.810 1.420 -11.084
172 HD21 ASN 28 1HD2 ASN 28 -8.802 2.039 -7.663
173 HD22 ASN 28 2HD2 ASN 28 -10.361 2.455 -7.137
174 H THR 29 H THR 29 -6.432 -1.059 -9.948
175 HA THR 29 HA THR 29 -6.775 -1.917 -12.736
176 HB THR 29 HB THR 29 -4.458 -1.123 -13.263
177 HG1 THR 29 1HG THR 29 -4.198 -0.819 -10.799
178 HG21 THR 29 3HG2 THR 29 -5.116 1.201 -13.634
179 HG22 THR 29 1HG2 THR 29 -6.402 1.050 -12.437
180 HG23 THR 29 2HG2 THR 29 -6.489 0.138 -13.943
181 H SER 30 H SER 30 -4.607 -1.908 -9.908
182 HA SER 30 HA SER 30 -3.546 -4.524 -10.645
183 HB2 SER 30 2HB SER 30 -2.284 -2.494 -9.530
184 HB3 SER 30 1HB SER 30 -2.935 -3.174 -8.040
185 HG SER 30 HG SER 30 -0.806 -3.954 -9.278
186 H CYS 31 H CYS 31 -3.322 -6.098 -8.701
187 HA CYS 31 HA CYS 31 -5.577 -6.105 -6.873
188 HB2 CYS 31 2HB CYS 31 -6.488 -7.030 -9.030
189 HB3 CYS 31 1HB CYS 31 -5.323 -8.347 -8.888
190 HG CYS 31 HG CYS 31 -6.673 -9.370 -7.056
191 H ASP 32 H ASP 32 -4.848 -6.878 -5.010
192 HA ASP 32 HA ASP 32 -3.383 -9.285 -4.741
193 HB2 ASP 32 2HB ASP 32 -1.681 -7.445 -5.632
194 HB3 ASP 32 1HB ASP 32 -1.659 -6.979 -3.934
195 H ILE 33 H ILE 33 -2.974 -9.822 -2.527
196 HA ILE 33 HA ILE 33 -4.838 -8.550 -0.715
197 HB ILE 33 HB ILE 33 -2.852 -10.730 -0.055
198 HG12 ILE 33 2HG1 ILE 33 -4.014 -11.485 -2.033
199 HG13 ILE 33 1HG1 ILE 33 -4.756 -12.288 -0.650
200 HG21 ILE 33 1HG2 ILE 33 -3.988 -9.802 1.869
201 HG22 ILE 33 2HG2 ILE 33 -4.715 -11.370 1.516
202 HG23 ILE 33 3HG2 ILE 33 -5.547 -9.886 1.049
203 HD11 ILE 33 3HD1 ILE 33 -5.826 -9.981 -2.273
204 HD12 ILE 33 1HD1 ILE 33 -6.428 -10.310 -0.650
205 HD13 ILE 33 2HD1 ILE 33 -6.600 -11.524 -1.916
206 H GLU 34 H GLU 34 -1.610 -8.072 -1.566
207 HA GLU 34 HA GLU 34 -0.873 -6.974 1.065
208 HB2 GLU 34 2HB GLU 34 0.892 -7.209 -1.371
209 HB3 GLU 34 1HB GLU 34 1.382 -7.010 0.313
210 HG2 GLU 34 2HG GLU 34 0.035 -9.436 -0.906
211 HG3 GLU 34 1HG GLU 34 1.691 -9.337 -0.313
212 H LEU 35 H LEU 35 -0.572 -6.003 -2.371
213 HA LEU 35 HA LEU 35 0.015 -3.322 -1.933
214 HB2 LEU 35 2HB LEU 35 -1.429 -4.691 -4.201
215 HB3 LEU 35 1HB LEU 35 -1.050 -2.972 -4.227
216 HG LEU 35 HG LEU 35 1.000 -5.173 -3.832
217 HD11 LEU 35 1HD1 LEU 35 1.607 -4.900 -6.118
218 HD12 LEU 35 2HD1 LEU 35 0.615 -3.450 -6.288
219 HD13 LEU 35 3HD1 LEU 35 -0.152 -5.030 -6.121
220 HD21 LEU 35 3HD2 LEU 35 2.056 -3.321 -2.934
221 HD22 LEU 35 1HD2 LEU 35 1.080 -2.180 -3.858
222 HD23 LEU 35 2HD2 LEU 35 2.416 -3.030 -4.634
223 H LEU 36 H LEU 36 -3.193 -4.777 -2.519
224 HA LEU 36 HA LEU 36 -4.709 -2.446 -2.274
225 HB2 LEU 36 2HB LEU 36 -5.453 -5.269 -1.469
226 HB3 LEU 36 1HB LEU 36 -6.591 -3.944 -1.700
227 HG LEU 36 HG LEU 36 -4.721 -5.026 -3.829
228 HD11 LEU 36 1HD1 LEU 36 -6.652 -6.063 -4.804
229 HD12 LEU 36 2HD1 LEU 36 -7.735 -5.254 -3.673
230 HD13 LEU 36 3HD1 LEU 36 -6.649 -6.520 -3.101
231 HD21 LEU 36 3HD2 LEU 36 -6.657 -2.737 -3.690
232 HD22 LEU 36 1HD2 LEU 36 -6.498 -3.612 -5.213
233 HD23 LEU 36 2HD2 LEU 36 -5.091 -2.829 -4.496
234 H ALA 37 H ALA 37 -3.790 -4.796 0.238
235 HA ALA 37 HA ALA 37 -5.056 -3.453 2.381
236 HB1 ALA 37 1HB ALA 37 -2.589 -5.202 2.517
237 HB2 ALA 37 2HB ALA 37 -4.238 -5.821 2.438
238 HB3 ALA 37 3HB ALA 37 -3.722 -4.863 3.825
239 H ALA 38 H ALA 38 -1.916 -3.106 0.853
240 HA ALA 38 HA ALA 38 -0.829 -1.362 2.864
241 HB1 ALA 38 1HB ALA 38 0.136 -1.512 0.018
242 HB2 ALA 38 2HB ALA 38 0.445 -2.825 1.154
243 HB3 ALA 38 3HB ALA 38 1.065 -1.208 1.486
244 H CYS 39 H CYS 39 -2.481 -0.954 -0.225
245 HA CYS 39 HA CYS 39 -2.096 1.875 -0.383
246 HB2 CYS 39 2HB CYS 39 -2.634 0.331 -2.316
247 HB3 CYS 39 1HB CYS 39 -4.286 0.261 -1.702
248 HG CYS 39 HG CYS 39 -4.221 2.243 -3.383
249 H ARG 40 H ARG 40 -4.870 -0.162 0.547
250 HA ARG 40 HA ARG 40 -6.729 1.795 1.126
251 HB2 ARG 40 2HB ARG 40 -6.198 -0.870 2.439
252 HB3 ARG 40 1HB ARG 40 -7.572 0.145 2.882
253 HG2 ARG 40 2HG ARG 40 -8.517 0.007 0.709
254 HG3 ARG 40 1HG ARG 40 -7.020 -0.611 0.010
255 HD2 ARG 40 2HD ARG 40 -8.956 -2.288 0.499
256 HD3 ARG 40 1HD ARG 40 -7.311 -2.741 0.938
257 HE ARG 40 HE ARG 40 -7.920 -2.603 3.183
258 HH11 ARG 40 1HH2 ARG 40 -10.309 -1.174 1.129
259 HH12 ARG 40 2HH2 ARG 40 -11.481 -0.987 2.389
260 HH21 ARG 40 1HH1 ARG 40 -9.451 -2.361 4.843
261 HH22 ARG 40 2HH1 ARG 40 -10.995 -1.659 4.493
262 H GLU 41 H GLU 41 -3.962 0.756 3.030
263 HA GLU 41 HA GLU 41 -4.616 1.996 5.468
264 HB2 GLU 41 2HB GLU 41 -1.995 1.282 4.162
265 HB3 GLU 41 1HB GLU 41 -2.055 2.073 5.738
266 HG2 GLU 41 2HG GLU 41 -3.203 0.261 6.735
267 HG3 GLU 41 1HG GLU 41 -3.662 -0.418 5.174
268 H GLU 42 H GLU 42 -2.775 3.212 2.673
269 HA GLU 42 HA GLU 42 -2.393 5.817 3.824
270 HB2 GLU 42 2HB GLU 42 -2.225 5.307 0.872
271 HB3 GLU 42 1HB GLU 42 -1.212 6.331 1.889
272 HG2 GLU 42 2HG GLU 42 -1.220 3.308 1.763
273 HG3 GLU 42 1HG GLU 42 0.090 4.392 1.301
274 H PHE 43 H PHE 43 -4.515 4.485 1.297
275 HA PHE 43 HA PHE 43 -5.811 6.768 0.462
276 HB2 PHE 43 2HB PHE 43 -6.132 4.369 -0.354
277 HB3 PHE 43 1HB PHE 43 -7.270 4.178 0.979
278 HD1 PHE 43 1HD PHE 43 -6.546 6.141 -2.094
279 HD2 PHE 43 2HD PHE 43 -9.461 5.128 0.896
280 HE1 PHE 43 1HE PHE 43 -8.310 7.254 -3.437
281 HE2 PHE 43 2HE PHE 43 -11.224 6.241 -0.448
282 HZ PHE 43 HZ PHE 43 -10.648 7.304 -2.614
283 H HIS 44 H HIS 44 -6.251 4.971 3.448
284 HA HIS 44 HA HIS 44 -8.656 6.298 4.249
285 HB2 HIS 44 2HB HIS 44 -6.596 4.819 5.901
286 HB3 HIS 44 1HB HIS 44 -8.201 5.294 6.452
287 HD2 HIS 44 2HD HIS 44 -9.189 4.304 3.127
288 HE1 HIS 44 1HE HIS 44 -8.745 0.558 5.024
289 HE2 HIS 44 2HE HIS 44 -9.719 1.749 3.004
290 H ARG 45 H ARG 45 -5.219 6.892 4.710
291 HA ARG 45 HA ARG 45 -5.437 8.851 6.741
292 HB2 ARG 45 2HB ARG 45 -3.325 8.416 4.617
293 HB3 ARG 45 1HB ARG 45 -3.161 9.549 5.960
294 HG2 ARG 45 2HG ARG 45 -3.616 7.603 7.522
295 HG3 ARG 45 1HG ARG 45 -3.473 6.541 6.122
296 HD2 ARG 45 2HD ARG 45 -1.332 6.748 7.377
297 HD3 ARG 45 1HD ARG 45 -1.198 7.314 5.715
298 HE ARG 45 HE ARG 45 -1.839 9.397 7.625
299 HH11 ARG 45 1HH2 ARG 45 0.623 7.559 6.035
300 HH12 ARG 45 2HH2 ARG 45 1.850 8.765 6.241
301 HH21 ARG 45 1HH1 ARG 45 -0.235 10.983 7.899
302 HH22 ARG 45 2HH1 ARG 45 1.364 10.702 7.297
303 H ARG 46 H ARG 46 -5.865 8.975 3.278
304 HA ARG 46 HA ARG 46 -5.626 11.803 2.991
305 HB2 ARG 46 2HB ARG 46 -7.348 10.137 1.183
306 HB3 ARG 46 1HB ARG 46 -6.288 11.487 0.781
307 HG2 ARG 46 2HG ARG 46 -5.410 8.715 1.638
308 HG3 ARG 46 1HG ARG 46 -5.275 9.397 0.019
309 HD2 ARG 46 2HD ARG 46 -3.833 11.218 0.980
310 HD3 ARG 46 1HD ARG 46 -3.859 10.361 2.519
311 HE ARG 46 HE ARG 46 -2.986 8.438 0.852
312 HH11 ARG 46 1HH2 ARG 46 -2.126 11.768 1.233
313 HH12 ARG 46 2HH2 ARG 46 -0.481 11.543 0.741
314 HH21 ARG 46 1HH1 ARG 46 -0.831 8.135 0.207
315 HH22 ARG 46 2HH1 ARG 46 0.252 9.486 0.160
316 H LEU 47 H LEU 47 -8.347 9.609 3.562
317 HA LEU 47 HA LEU 47 -10.442 11.449 3.293
318 HB2 LEU 47 2HB LEU 47 -10.421 9.222 5.328
319 HB3 LEU 47 1HB LEU 47 -11.795 9.875 4.436
320 HG LEU 47 HG LEU 47 -9.491 8.267 3.300
321 HD11 LEU 47 1HD1 LEU 47 -11.460 7.143 4.535
322 HD12 LEU 47 2HD1 LEU 47 -11.095 6.567 2.910
323 HD13 LEU 47 3HD1 LEU 47 -12.449 7.667 3.171
324 HD21 LEU 47 3HD2 LEU 47 -11.712 9.835 1.981
325 HD22 LEU 47 1HD2 LEU 47 -10.949 8.467 1.173
326 HD23 LEU 47 2HD2 LEU 47 -9.987 9.873 1.624
327 H LYS 48 H LYS 48 -8.171 10.915 5.895
328 HA LYS 48 HA LYS 48 -9.368 11.998 8.098
329 HB2 LYS 48 2HB LYS 48 -6.958 11.178 7.836
330 HB3 LYS 48 1HB LYS 48 -6.579 12.808 7.277
331 HG2 LYS 48 2HG LYS 48 -7.494 13.738 9.378
332 HG3 LYS 48 1HG LYS 48 -7.848 12.104 9.941
333 HD2 LYS 48 2HD LYS 48 -5.362 11.601 9.575
334 HD3 LYS 48 1HD LYS 48 -5.142 13.344 9.424
335 HE2 LYS 48 2HE LYS 48 -4.750 12.939 11.714
336 HE3 LYS 48 1HE LYS 48 -6.426 13.491 11.674
337 HZ1 LYS 48 3HZ LYS 48 -6.925 10.982 11.402
338 HZ2 LYS 48 1HZ LYS 48 -6.568 11.597 12.943
339 HZ3 LYS 48 2HZ LYS 48 -5.373 10.770 12.062
340 H VAL 49 H VAL 49 -7.989 13.764 5.353
341 HA VAL 49 HA VAL 49 -9.160 16.263 6.427
342 HB VAL 49 HB VAL 49 -6.745 16.403 6.133
343 HG11 VAL 49 1HG1 VAL 49 -5.676 15.984 4.015
344 HG12 VAL 49 2HG1 VAL 49 -7.232 15.774 3.210
345 HG13 VAL 49 3HG1 VAL 49 -6.674 14.576 4.380
346 HG21 VAL 49 3HG2 VAL 49 -6.687 18.387 4.809
347 HG22 VAL 49 1HG2 VAL 49 -8.318 18.322 5.478
348 HG23 VAL 49 2HG2 VAL 49 -8.030 17.845 3.805
349 H TYR 50 H TYR 50 -10.575 17.419 5.202
350 HA TYR 50 HA TYR 50 -11.359 16.249 2.593
351 HB2 TYR 50 2HB TYR 50 -13.161 17.823 4.436
352 HB3 TYR 50 1HB TYR 50 -13.620 16.842 3.044
353 HD1 TYR 50 1HD TYR 50 -12.280 16.725 6.504
354 HD2 TYR 50 2HD TYR 50 -13.869 14.463 3.217
355 HE1 TYR 50 1HE TYR 50 -12.494 14.738 7.975
356 HE2 TYR 50 2HE TYR 50 -14.082 12.477 4.686
357 HH TYR 50 HH TYR 50 -13.418 11.592 6.686
358 H HIS 51 H HIS 51 -9.365 17.944 2.325
359 HA HIS 51 HA HIS 51 -10.156 20.701 2.165
360 HB2 HIS 51 2HB HIS 51 -7.812 20.083 2.510
361 HB3 HIS 51 1HB HIS 51 -7.788 19.252 0.956
362 HD2 HIS 51 2HD HIS 51 -9.623 22.689 1.025
363 HE1 HIS 51 1HE HIS 51 -5.899 23.281 -0.872
364 HE2 HIS 51 2HE HIS 51 -8.138 24.351 -0.335
Start of MODEL 16
1 H1 GLY 9 H GLY 9 10.878 -15.748 2.885
2 HA2 GLY 9 2HA GLY 9 8.369 -15.301 4.234
3 HA3 GLY 9 1HA GLY 9 9.634 -14.108 3.954
4 H THR 10 H THR 10 8.995 -12.474 2.716
5 HA THR 10 HA THR 10 7.634 -12.923 0.211
6 HB THR 10 HB THR 10 5.760 -12.934 1.863
7 HG1 THR 10 1HG THR 10 4.884 -10.816 0.789
8 HG21 THR 10 3HG2 THR 10 6.966 -11.314 3.419
9 HG22 THR 10 1HG2 THR 10 5.253 -10.990 3.152
10 HG23 THR 10 2HG2 THR 10 6.473 -10.032 2.313
11 H LYS 11 H LYS 11 6.641 -10.263 -0.008
12 HA LYS 11 HA LYS 11 8.978 -8.535 0.394
13 HB2 LYS 11 2HB LYS 11 7.800 -9.259 -2.290
14 HB3 LYS 11 1HB LYS 11 8.740 -7.788 -2.038
15 HG2 LYS 11 2HG LYS 11 10.634 -9.135 -1.211
16 HG3 LYS 11 1HG LYS 11 9.697 -10.608 -1.463
17 HD2 LYS 11 2HD LYS 11 9.465 -9.882 -3.902
18 HD3 LYS 11 1HD LYS 11 10.699 -8.669 -3.556
19 HE2 LYS 11 2HE LYS 11 12.276 -10.405 -2.886
20 HE3 LYS 11 1HE LYS 11 11.039 -11.646 -3.093
21 HZ1 LYS 11 3HZ LYS 11 11.040 -10.317 -5.466
22 HZ2 LYS 11 1HZ LYS 11 11.789 -11.809 -5.166
23 HZ3 LYS 11 2HZ LYS 11 12.687 -10.371 -5.056
24 H LYS 12 H LYS 12 8.208 -6.770 1.343
25 HA LYS 12 HA LYS 12 5.420 -5.996 1.014
26 HB2 LYS 12 2HB LYS 12 7.592 -4.644 2.630
27 HB3 LYS 12 1HB LYS 12 5.853 -4.390 2.770
28 HG2 LYS 12 2HG LYS 12 6.006 -5.949 4.435
29 HG3 LYS 12 1HG LYS 12 5.984 -7.099 3.099
30 HD2 LYS 12 2HD LYS 12 8.435 -7.140 3.057
31 HD3 LYS 12 1HD LYS 12 8.495 -5.926 4.337
32 HE2 LYS 12 2HE LYS 12 8.782 -7.970 5.486
33 HE3 LYS 12 1HE LYS 12 7.074 -7.593 5.716
34 HZ1 LYS 12 3HZ LYS 12 6.563 -9.023 3.817
35 HZ2 LYS 12 1HZ LYS 12 7.343 -9.881 5.054
36 HZ3 LYS 12 2HZ LYS 12 8.207 -9.420 3.666
37 H TYR 13 H TYR 13 5.824 -3.189 1.400
38 HA TYR 13 HA TYR 13 7.317 -2.222 -0.902
39 HB2 TYR 13 2HB TYR 13 4.364 -1.625 -0.808
40 HB3 TYR 13 1HB TYR 13 5.496 -1.384 -2.141
41 HD1 TYR 13 1HD TYR 13 6.243 -3.255 -3.526
42 HD2 TYR 13 2HD TYR 13 3.489 -3.848 -0.282
43 HE1 TYR 13 1HE TYR 13 5.705 -5.515 -4.394
44 HE2 TYR 13 2HE TYR 13 2.952 -6.108 -1.151
45 HH TYR 13 HH TYR 13 3.219 -7.535 -2.847
46 H ASP 14 H ASP 14 7.931 -0.124 -0.661
47 HA ASP 14 HA ASP 14 7.171 1.184 1.857
48 HB2 ASP 14 2HB ASP 14 9.334 1.954 -0.112
49 HB3 ASP 14 1HB ASP 14 9.123 2.572 1.525
50 H LEU 15 H LEU 15 5.423 2.442 1.704
51 HA LEU 15 HA LEU 15 4.906 3.935 -0.771
52 HB2 LEU 15 2HB LEU 15 3.117 3.942 1.646
53 HB3 LEU 15 1HB LEU 15 2.689 4.142 -0.054
54 HG LEU 15 HG LEU 15 3.640 1.584 1.272
55 HD11 LEU 15 1HD1 LEU 15 1.334 1.993 1.799
56 HD12 LEU 15 2HD1 LEU 15 1.345 0.819 0.482
57 HD13 LEU 15 3HD1 LEU 15 0.985 2.515 0.151
58 HD21 LEU 15 3HD2 LEU 15 4.525 1.645 -0.972
59 HD22 LEU 15 1HD2 LEU 15 3.002 2.258 -1.614
60 HD23 LEU 15 2HD2 LEU 15 3.100 0.606 -1.006
61 H SER 16 H SER 16 7.134 4.760 0.769
62 HA SER 16 HA SER 16 6.927 6.689 2.655
63 HB2 SER 16 2HB SER 16 9.013 5.961 1.393
64 HB3 SER 16 1HB SER 16 8.568 7.136 0.160
65 HG SER 16 HG SER 16 9.158 8.692 1.453
66 H LYS 17 H LYS 17 5.994 7.003 -0.726
67 HA LYS 17 HA LYS 17 4.331 9.286 -0.092
68 HB2 LYS 17 2HB LYS 17 5.368 10.796 -1.731
69 HB3 LYS 17 1HB LYS 17 6.502 10.382 -0.447
70 HG2 LYS 17 2HG LYS 17 7.924 9.854 -2.146
71 HG3 LYS 17 1HG LYS 17 6.978 8.371 -2.269
72 HD2 LYS 17 2HD LYS 17 5.424 9.712 -3.837
73 HD3 LYS 17 1HD LYS 17 6.734 10.890 -3.918
74 HE2 LYS 17 2HE LYS 17 8.278 9.043 -4.619
75 HE3 LYS 17 1HE LYS 17 6.886 7.960 -4.679
76 HZ1 LYS 17 3HZ LYS 17 6.134 8.890 -6.560
77 HZ2 LYS 17 1HZ LYS 17 7.736 9.413 -6.749
78 HZ3 LYS 17 2HZ LYS 17 6.572 10.466 -6.098
79 H TRP 18 H TRP 18 2.547 9.208 -1.306
80 HA TRP 18 HA TRP 18 2.653 7.962 -3.971
81 HB2 TRP 18 2HB TRP 18 1.068 7.024 -1.611
82 HB3 TRP 18 1HB TRP 18 0.338 6.910 -3.211
83 HD1 TRP 18 HD TRP 18 3.661 5.930 -1.483
84 HE1 TRP 18 1HE TRP 18 4.484 3.721 -2.523
85 HE3 TRP 18 3HE TRP 18 0.053 5.227 -5.025
86 HZ2 TRP 18 2HZ TRP 18 3.711 1.894 -4.582
87 HZ3 TRP 18 3HZ TRP 18 0.119 3.246 -6.509
88 HH2 TRP 18 HH TRP 18 1.941 1.578 -6.293
89 H LYS 19 H LYS 19 0.538 8.305 -5.141
90 HA LYS 19 HA LYS 19 -0.528 10.991 -4.485
91 HB2 LYS 19 2HB LYS 19 -0.484 9.692 -7.212
92 HB3 LYS 19 1HB LYS 19 -0.810 11.382 -6.823
93 HG2 LYS 19 2HG LYS 19 1.830 9.957 -6.364
94 HG3 LYS 19 1HG LYS 19 1.493 11.083 -7.679
95 HD2 LYS 19 2HD LYS 19 0.827 12.751 -5.808
96 HD3 LYS 19 1HD LYS 19 1.682 11.654 -4.723
97 HE2 LYS 19 2HE LYS 19 3.715 11.864 -6.098
98 HE3 LYS 19 1HE LYS 19 2.866 12.951 -7.195
99 HZ1 LYS 19 3HZ LYS 19 4.234 13.653 -4.920
100 HZ2 LYS 19 1HZ LYS 19 2.598 13.793 -4.493
101 HZ3 LYS 19 2HZ LYS 19 3.201 14.648 -5.833
102 H TYR 20 H TYR 20 -2.724 11.342 -4.562
103 HA TYR 20 HA TYR 20 -4.462 9.317 -3.817
104 HB2 TYR 20 2HB TYR 20 -4.856 11.811 -3.656
105 HB3 TYR 20 1HB TYR 20 -5.290 11.777 -5.365
106 HD1 TYR 20 2HD TYR 20 -6.241 10.658 -1.978
107 HD2 TYR 20 1HD TYR 20 -7.340 10.719 -6.131
108 HE1 TYR 20 2HE TYR 20 -8.526 9.900 -1.385
109 HE2 TYR 20 1HE TYR 20 -9.625 9.961 -5.537
110 HH TYR 20 HH TYR 20 -10.749 9.894 -2.275
111 H ALA 21 H ALA 21 -3.466 10.327 -7.013
112 HA ALA 21 HA ALA 21 -5.526 8.891 -8.416
113 HB1 ALA 21 1HB ALA 21 -4.314 10.861 -9.365
114 HB2 ALA 21 2HB ALA 21 -4.280 9.446 -10.416
115 HB3 ALA 21 3HB ALA 21 -2.860 9.869 -9.460
116 H GLU 22 H GLU 22 -2.135 8.287 -7.576
117 HA GLU 22 HA GLU 22 -1.888 5.832 -8.974
118 HB2 GLU 22 2HB GLU 22 -0.395 6.981 -6.611
119 HB3 GLU 22 1HB GLU 22 0.047 5.460 -7.387
120 HG2 GLU 22 2HG GLU 22 -0.246 8.052 -8.919
121 HG3 GLU 22 1HG GLU 22 1.287 7.518 -8.231
122 H LEU 23 H LEU 23 -2.627 6.574 -5.572
123 HA LEU 23 HA LEU 23 -2.836 3.952 -4.625
124 HB2 LEU 23 2HB LEU 23 -4.435 6.372 -3.756
125 HB3 LEU 23 1HB LEU 23 -4.202 4.897 -2.819
126 HG LEU 23 HG LEU 23 -1.888 6.579 -3.802
127 HD11 LEU 23 1HD1 LEU 23 -3.086 8.070 -2.389
128 HD12 LEU 23 2HD1 LEU 23 -1.849 7.359 -1.352
129 HD13 LEU 23 3HD1 LEU 23 -3.512 6.782 -1.261
130 HD21 LEU 23 3HD2 LEU 23 -2.246 4.335 -1.806
131 HD22 LEU 23 1HD2 LEU 23 -0.845 5.403 -1.748
132 HD23 LEU 23 2HD2 LEU 23 -1.138 4.414 -3.176
133 H ARG 24 H ARG 24 -5.391 6.079 -5.916
134 HA ARG 24 HA ARG 24 -7.435 4.097 -5.745
135 HB2 ARG 24 2HB ARG 24 -7.766 6.615 -5.862
136 HB3 ARG 24 1HB ARG 24 -7.413 6.493 -7.584
137 HG2 ARG 24 2HG ARG 24 -9.724 6.276 -7.624
138 HG3 ARG 24 1HG ARG 24 -9.253 4.582 -7.502
139 HD2 ARG 24 2HD ARG 24 -9.565 4.648 -5.070
140 HD3 ARG 24 1HD ARG 24 -9.965 6.361 -5.150
141 HE ARG 24 HE ARG 24 -11.786 5.232 -6.825
142 HH11 ARG 24 1HH2 ARG 24 -10.730 4.583 -3.594
143 HH12 ARG 24 2HH2 ARG 24 -12.262 3.965 -3.070
144 HH21 ARG 24 1HH1 ARG 24 -13.796 4.421 -6.146
145 HH22 ARG 24 2HH1 ARG 24 -13.997 3.873 -4.516
146 H ASP 25 H ASP 25 -5.306 5.214 -8.349
147 HA ASP 25 HA ASP 25 -6.465 3.714 -10.437
148 HB2 ASP 25 2HB ASP 25 -4.910 5.522 -10.898
149 HB3 ASP 25 1HB ASP 25 -3.617 4.662 -10.060
150 H THR 26 H THR 26 -3.691 2.982 -8.321
151 HA THR 26 HA THR 26 -2.990 0.506 -9.365
152 HB THR 26 HB THR 26 -2.967 1.193 -6.422
153 HG1 THR 26 1HG THR 26 -1.715 2.755 -7.004
154 HG21 THR 26 3HG2 THR 26 -1.019 -0.269 -6.381
155 HG22 THR 26 1HG2 THR 26 -1.106 -0.482 -8.129
156 HG23 THR 26 2HG2 THR 26 -2.377 -1.136 -7.097
157 H ILE 27 H ILE 27 -5.402 1.260 -6.861
158 HA ILE 27 HA ILE 27 -6.164 -1.437 -6.385
159 HB ILE 27 HB ILE 27 -7.686 1.141 -5.934
160 HG12 ILE 27 2HG1 ILE 27 -6.196 -0.563 -3.926
161 HG13 ILE 27 1HG1 ILE 27 -5.423 0.775 -4.778
162 HG21 ILE 27 1HG2 ILE 27 -8.835 -0.374 -4.184
163 HG22 ILE 27 2HG2 ILE 27 -8.183 -1.724 -5.115
164 HG23 ILE 27 3HG2 ILE 27 -9.303 -0.590 -5.871
165 HD11 ILE 27 3HD1 ILE 27 -6.303 1.522 -2.599
166 HD12 ILE 27 1HD1 ILE 27 -7.917 0.980 -3.060
167 HD13 ILE 27 2HD1 ILE 27 -7.156 2.316 -3.924
168 H ASN 28 H ASN 28 -7.146 0.986 -8.717
169 HA ASN 28 HA ASN 28 -9.338 -0.711 -9.689
170 HB2 ASN 28 2HB ASN 28 -8.464 2.112 -10.308
171 HB3 ASN 28 1HB ASN 28 -9.692 1.272 -11.255
172 HD21 ASN 28 1HD2 ASN 28 -8.935 2.230 -7.870
173 HD22 ASN 28 2HD2 ASN 28 -10.558 2.352 -7.388
174 H THR 29 H THR 29 -6.416 -1.353 -9.985
175 HA THR 29 HA THR 29 -6.521 -1.975 -12.838
176 HB THR 29 HB THR 29 -4.118 -1.200 -13.089
177 HG1 THR 29 1HG THR 29 -3.230 -0.131 -11.503
178 HG21 THR 29 3HG2 THR 29 -6.123 0.026 -13.974
179 HG22 THR 29 1HG2 THR 29 -4.762 1.080 -13.588
180 HG23 THR 29 2HG2 THR 29 -6.136 0.977 -12.487
181 H SER 30 H SER 30 -4.387 -2.102 -9.975
182 HA SER 30 HA SER 30 -3.423 -4.737 -10.758
183 HB2 SER 30 2HB SER 30 -2.077 -2.800 -9.618
184 HB3 SER 30 1HB SER 30 -2.791 -3.425 -8.132
185 HG SER 30 HG SER 30 -0.904 -4.535 -9.836
186 H CYS 31 H CYS 31 -3.185 -6.264 -8.694
187 HA CYS 31 HA CYS 31 -5.508 -6.279 -6.968
188 HB2 CYS 31 2HB CYS 31 -6.258 -7.255 -9.211
189 HB3 CYS 31 1HB CYS 31 -5.188 -8.611 -8.855
190 HG CYS 31 HG CYS 31 -6.742 -9.400 -7.059
191 H ASP 32 H ASP 32 -4.840 -7.025 -5.070
192 HA ASP 32 HA ASP 32 -3.370 -9.419 -4.718
193 HB2 ASP 32 2HB ASP 32 -1.655 -7.559 -5.567
194 HB3 ASP 32 1HB ASP 32 -1.686 -7.103 -3.867
195 H ILE 33 H ILE 33 -3.095 -9.956 -2.498
196 HA ILE 33 HA ILE 33 -4.983 -8.607 -0.762
197 HB ILE 33 HB ILE 33 -3.153 -10.953 -0.200
198 HG12 ILE 33 2HG1 ILE 33 -6.101 -10.970 -0.902
199 HG13 ILE 33 1HG1 ILE 33 -4.830 -11.217 -2.098
200 HG21 ILE 33 1HG2 ILE 33 -5.041 -11.365 1.531
201 HG22 ILE 33 2HG2 ILE 33 -5.449 -9.668 1.277
202 HG23 ILE 33 3HG2 ILE 33 -3.856 -10.108 1.891
203 HD11 ILE 33 3HD1 ILE 33 -3.983 -13.143 -0.818
204 HD12 ILE 33 1HD1 ILE 33 -5.679 -13.375 -1.243
205 HD13 ILE 33 2HD1 ILE 33 -5.239 -12.893 0.396
206 H GLU 34 H GLU 34 -1.785 -8.133 -1.545
207 HA GLU 34 HA GLU 34 -1.042 -7.151 1.135
208 HB2 GLU 34 2HB GLU 34 0.731 -7.380 -1.300
209 HB3 GLU 34 1HB GLU 34 1.226 -7.178 0.380
210 HG2 GLU 34 2HG GLU 34 0.238 -9.385 0.925
211 HG3 GLU 34 1HG GLU 34 -0.204 -9.592 -0.769
212 H LEU 35 H LEU 35 -0.601 -6.097 -2.254
213 HA LEU 35 HA LEU 35 -0.039 -3.425 -1.718
214 HB2 LEU 35 2HB LEU 35 -1.209 -4.852 -4.085
215 HB3 LEU 35 1HB LEU 35 -1.112 -3.095 -4.089
216 HG LEU 35 HG LEU 35 1.251 -4.910 -3.529
217 HD11 LEU 35 1HD1 LEU 35 1.949 -4.547 -5.804
218 HD12 LEU 35 2HD1 LEU 35 0.633 -3.408 -6.086
219 HD13 LEU 35 3HD1 LEU 35 0.283 -5.122 -5.861
220 HD21 LEU 35 3HD2 LEU 35 2.290 -2.563 -4.386
221 HD22 LEU 35 1HD2 LEU 35 1.953 -2.885 -2.687
222 HD23 LEU 35 2HD2 LEU 35 0.804 -1.961 -3.653
223 H LEU 36 H LEU 36 -3.204 -4.869 -2.530
224 HA LEU 36 HA LEU 36 -4.755 -2.569 -2.357
225 HB2 LEU 36 2HB LEU 36 -5.486 -5.396 -1.555
226 HB3 LEU 36 1HB LEU 36 -6.641 -4.091 -1.818
227 HG LEU 36 HG LEU 36 -4.698 -5.154 -3.893
228 HD11 LEU 36 1HD1 LEU 36 -6.674 -6.632 -3.194
229 HD12 LEU 36 2HD1 LEU 36 -6.569 -6.229 -4.907
230 HD13 LEU 36 3HD1 LEU 36 -7.714 -5.379 -3.872
231 HD21 LEU 36 3HD2 LEU 36 -6.627 -2.859 -3.804
232 HD22 LEU 36 1HD2 LEU 36 -6.456 -3.742 -5.321
233 HD23 LEU 36 2HD2 LEU 36 -5.052 -2.970 -4.589
234 H ALA 37 H ALA 37 -3.917 -4.865 0.233
235 HA ALA 37 HA ALA 37 -5.287 -3.489 2.294
236 HB1 ALA 37 1HB ALA 37 -2.812 -5.183 2.651
237 HB2 ALA 37 2HB ALA 37 -4.408 -5.873 2.363
238 HB3 ALA 37 3HB ALA 37 -4.113 -4.909 3.809
239 H ALA 38 H ALA 38 -2.082 -3.169 0.904
240 HA ALA 38 HA ALA 38 -1.086 -1.388 2.931
241 HB1 ALA 38 1HB ALA 38 0.860 -1.222 1.602
242 HB2 ALA 38 2HB ALA 38 -0.013 -1.628 0.124
243 HB3 ALA 38 3HB ALA 38 0.287 -2.869 1.341
244 H CYS 39 H CYS 39 -2.669 -1.049 -0.190
245 HA CYS 39 HA CYS 39 -2.247 1.768 -0.440
246 HB2 CYS 39 2HB CYS 39 -2.838 0.075 -2.285
247 HB3 CYS 39 1HB CYS 39 -4.501 0.235 -1.722
248 HG CYS 39 HG CYS 39 -4.084 2.055 -3.573
249 H ARG 40 H ARG 40 -5.064 -0.197 0.519
250 HA ARG 40 HA ARG 40 -6.877 1.831 1.026
251 HB2 ARG 40 2HB ARG 40 -6.470 -0.836 2.380
252 HB3 ARG 40 1HB ARG 40 -7.825 0.228 2.762
253 HG2 ARG 40 2HG ARG 40 -8.597 0.168 0.464
254 HG3 ARG 40 1HG ARG 40 -7.165 -0.732 -0.035
255 HD2 ARG 40 2HD ARG 40 -8.935 -2.333 0.198
256 HD3 ARG 40 1HD ARG 40 -7.869 -2.550 1.584
257 HE ARG 40 HE ARG 40 -9.755 -0.776 2.475
258 HH11 ARG 40 1HH2 ARG 40 -9.801 -3.886 0.955
259 HH12 ARG 40 2HH2 ARG 40 -11.273 -4.388 1.717
260 HH21 ARG 40 1HH1 ARG 40 -11.687 -1.429 3.476
261 HH22 ARG 40 2HH1 ARG 40 -12.340 -2.997 3.143
262 H GLU 41 H GLU 41 -4.170 0.740 2.982
263 HA GLU 41 HA GLU 41 -4.842 1.993 5.407
264 HB2 GLU 41 2HB GLU 41 -2.213 1.237 4.142
265 HB3 GLU 41 1HB GLU 41 -2.280 2.041 5.710
266 HG2 GLU 41 2HG GLU 41 -3.904 -0.439 5.133
267 HG3 GLU 41 1HG GLU 41 -2.245 -0.536 5.717
268 H GLU 42 H GLU 42 -2.799 3.173 2.724
269 HA GLU 42 HA GLU 42 -2.435 5.767 3.850
270 HB2 GLU 42 2HB GLU 42 -2.268 5.200 0.900
271 HB3 GLU 42 1HB GLU 42 -1.294 6.302 1.875
272 HG2 GLU 42 2HG GLU 42 -1.204 3.276 1.896
273 HG3 GLU 42 1HG GLU 42 0.068 4.376 1.368
274 H PHE 43 H PHE 43 -4.658 4.426 1.439
275 HA PHE 43 HA PHE 43 -5.900 6.705 0.516
276 HB2 PHE 43 2HB PHE 43 -6.342 4.278 -0.142
277 HB3 PHE 43 1HB PHE 43 -7.430 4.209 1.247
278 HD1 PHE 43 1HD PHE 43 -6.793 5.863 -2.011
279 HD2 PHE 43 2HD PHE 43 -9.557 5.329 1.233
280 HE1 PHE 43 1HE PHE 43 -8.573 6.955 -3.348
281 HE2 PHE 43 2HE PHE 43 -11.337 6.424 -0.104
282 HZ PHE 43 HZ PHE 43 -10.845 7.235 -2.394
283 H HIS 44 H HIS 44 -6.323 5.064 3.596
284 HA HIS 44 HA HIS 44 -8.639 6.477 4.440
285 HB2 HIS 44 2HB HIS 44 -7.523 4.305 5.385
286 HB3 HIS 44 1HB HIS 44 -6.588 5.430 6.369
287 HD2 HIS 44 2HD HIS 44 -9.664 7.338 6.331
288 HE1 HIS 44 1HE HIS 44 -10.541 4.352 9.182
289 HE2 HIS 44 2HE HIS 44 -11.260 6.606 8.263
290 H ARG 45 H ARG 45 -5.172 7.079 4.784
291 HA ARG 45 HA ARG 45 -5.332 9.214 6.622
292 HB2 ARG 45 2HB ARG 45 -3.289 8.508 4.512
293 HB3 ARG 45 1HB ARG 45 -3.085 9.856 5.630
294 HG2 ARG 45 2HG ARG 45 -3.308 8.317 7.542
295 HG3 ARG 45 1HG ARG 45 -3.521 6.964 6.430
296 HD2 ARG 45 2HD ARG 45 -1.298 7.166 5.598
297 HD3 ARG 45 1HD ARG 45 -1.087 8.751 6.335
298 HE ARG 45 HE ARG 45 -1.577 7.042 8.445
299 HH11 ARG 45 1HH2 ARG 45 0.675 7.256 5.827
300 HH12 ARG 45 2HH2 ARG 45 1.965 6.492 6.693
301 HH21 ARG 45 1HH1 ARG 45 0.110 6.039 9.587
302 HH22 ARG 45 2HH1 ARG 45 1.646 5.802 8.821
303 H ARG 46 H ARG 46 -5.860 9.052 3.177
304 HA ARG 46 HA ARG 46 -5.613 11.843 2.646
305 HB2 ARG 46 2HB ARG 46 -7.377 10.026 1.032
306 HB3 ARG 46 1HB ARG 46 -6.347 11.349 0.488
307 HG2 ARG 46 2HG ARG 46 -5.403 8.674 1.556
308 HG3 ARG 46 1HG ARG 46 -5.329 9.208 -0.120
309 HD2 ARG 46 2HD ARG 46 -3.889 11.130 0.639
310 HD3 ARG 46 1HD ARG 46 -3.847 10.396 2.239
311 HE ARG 46 HE ARG 46 -2.995 8.359 0.712
312 HH11 ARG 46 1HH2 ARG 46 -2.192 11.726 0.751
313 HH12 ARG 46 2HH2 ARG 46 -0.566 11.486 0.206
314 HH21 ARG 46 1HH1 ARG 46 -0.863 8.038 -0.001
315 HH22 ARG 46 2HH1 ARG 46 0.186 9.398 -0.220
316 H LEU 47 H LEU 47 -8.334 9.743 3.500
317 HA LEU 47 HA LEU 47 -10.461 11.466 3.074
318 HB2 LEU 47 2HB LEU 47 -9.935 9.230 4.980
319 HB3 LEU 47 1HB LEU 47 -11.331 10.258 5.300
320 HG LEU 47 HG LEU 47 -12.121 9.865 2.972
321 HD11 LEU 47 1HD1 LEU 47 -9.918 9.402 1.957
322 HD12 LEU 47 2HD1 LEU 47 -11.041 8.078 1.651
323 HD13 LEU 47 3HD1 LEU 47 -9.801 7.913 2.893
324 HD21 LEU 47 3HD2 LEU 47 -11.572 7.221 4.334
325 HD22 LEU 47 1HD2 LEU 47 -12.989 7.685 3.390
326 HD23 LEU 47 2HD2 LEU 47 -12.722 8.387 4.986
327 H LYS 48 H LYS 48 -8.550 11.131 6.069
328 HA LYS 48 HA LYS 48 -9.774 13.493 7.220
329 HB2 LYS 48 2HB LYS 48 -7.470 11.778 8.175
330 HB3 LYS 48 1HB LYS 48 -8.238 13.065 9.106
331 HG2 LYS 48 2HG LYS 48 -10.349 11.893 9.119
332 HG3 LYS 48 1HG LYS 48 -9.738 10.679 7.995
333 HD2 LYS 48 2HD LYS 48 -8.211 9.808 9.624
334 HD3 LYS 48 1HD LYS 48 -8.499 11.168 10.710
335 HE2 LYS 48 2HE LYS 48 -10.697 10.431 11.227
336 HE3 LYS 48 1HE LYS 48 -10.728 9.313 9.862
337 HZ1 LYS 48 3HZ LYS 48 -9.887 7.746 11.153
338 HZ2 LYS 48 1HZ LYS 48 -9.903 8.807 12.476
339 HZ3 LYS 48 2HZ LYS 48 -8.524 8.704 11.488
340 H VAL 49 H VAL 49 -9.203 15.432 6.475
341 HA VAL 49 HA VAL 49 -6.328 16.004 6.098
342 HB VAL 49 HB VAL 49 -7.344 17.696 4.323
343 HG11 VAL 49 1HG1 VAL 49 -6.884 14.732 3.891
344 HG12 VAL 49 2HG1 VAL 49 -5.694 16.025 3.743
345 HG13 VAL 49 3HG1 VAL 49 -7.014 15.906 2.579
346 HG21 VAL 49 3HG2 VAL 49 -9.298 16.886 3.209
347 HG22 VAL 49 1HG2 VAL 49 -9.690 16.889 4.929
348 HG23 VAL 49 2HG2 VAL 49 -9.274 15.377 4.120
349 H TYR 50 H TYR 50 -5.690 18.139 6.590
350 HA TYR 50 HA TYR 50 -7.368 19.422 8.601
351 HB2 TYR 50 2HB TYR 50 -4.631 20.298 7.673
352 HB3 TYR 50 1HB TYR 50 -5.424 20.651 9.208
353 HD1 TYR 50 2HD TYR 50 -3.995 17.900 7.140
354 HD2 TYR 50 1HD TYR 50 -5.274 19.150 11.046
355 HE1 TYR 50 2HE TYR 50 -3.019 15.841 8.120
356 HE2 TYR 50 1HE TYR 50 -4.296 17.091 12.025
357 HH TYR 50 HH TYR 50 -3.168 15.228 11.633
358 H HIS 51 H HIS 51 -8.684 19.694 6.298
359 HA HIS 51 HA HIS 51 -8.119 21.721 4.524
360 HB2 HIS 51 2HB HIS 51 -10.145 20.196 4.538
361 HB3 HIS 51 1HB HIS 51 -10.861 21.292 5.721
362 HD2 HIS 51 2HD HIS 51 -11.106 20.915 2.059
363 HE1 HIS 51 1HE HIS 51 -11.150 25.100 2.604
364 HE2 HIS 51 2HE HIS 51 -11.605 23.226 0.952
Start of MODEL 17
1 H1 GLY 9 H GLY 9 10.510 -13.112 -2.777
2 HA2 GLY 9 2HA GLY 9 7.893 -13.797 -2.164
3 HA3 GLY 9 1HA GLY 9 8.702 -13.550 -0.620
4 H THR 10 H THR 10 7.114 -11.774 -0.420
5 HA THR 10 HA THR 10 8.289 -9.274 -1.378
6 HB THR 10 HB THR 10 5.919 -8.481 -1.983
7 HG1 THR 10 1HG THR 10 5.316 -11.064 -2.694
8 HG21 THR 10 3HG2 THR 10 7.735 -8.924 -3.627
9 HG22 THR 10 1HG2 THR 10 6.141 -9.318 -4.268
10 HG23 THR 10 2HG2 THR 10 7.212 -10.606 -3.716
11 H LYS 11 H LYS 11 8.794 -8.657 0.688
12 HA LYS 11 HA LYS 11 6.809 -8.799 2.806
13 HB2 LYS 11 2HB LYS 11 9.531 -8.931 2.818
14 HB3 LYS 11 1HB LYS 11 9.295 -7.238 3.239
15 HG2 LYS 11 2HG LYS 11 9.224 -8.243 5.344
16 HG3 LYS 11 1HG LYS 11 7.512 -8.205 4.929
17 HD2 LYS 11 2HD LYS 11 7.655 -10.525 4.100
18 HD3 LYS 11 1HD LYS 11 9.370 -10.566 4.508
19 HE2 LYS 11 2HE LYS 11 8.787 -10.113 6.885
20 HE3 LYS 11 1HE LYS 11 7.078 -10.179 6.455
21 HZ1 LYS 11 3HZ LYS 11 7.120 -12.383 6.465
22 HZ2 LYS 11 1HZ LYS 11 8.668 -12.299 7.155
23 HZ3 LYS 11 2HZ LYS 11 8.497 -12.443 5.470
24 H LYS 12 H LYS 12 5.155 -7.413 2.193
25 HA LYS 12 HA LYS 12 4.084 -5.420 1.715
26 HB2 LYS 12 2HB LYS 12 6.091 -4.477 3.777
27 HB3 LYS 12 1HB LYS 12 4.608 -3.638 3.327
28 HG2 LYS 12 2HG LYS 12 3.533 -4.841 4.912
29 HG3 LYS 12 1HG LYS 12 3.790 -6.270 3.914
30 HD2 LYS 12 2HD LYS 12 4.740 -6.874 5.982
31 HD3 LYS 12 1HD LYS 12 6.135 -6.368 5.030
32 HE2 LYS 12 2HE LYS 12 6.035 -4.129 6.057
33 HE3 LYS 12 1HE LYS 12 4.626 -4.621 6.998
34 HZ1 LYS 12 3HZ LYS 12 6.345 -4.983 8.460
35 HZ2 LYS 12 1HZ LYS 12 7.423 -5.494 7.254
36 HZ3 LYS 12 2HZ LYS 12 6.171 -6.522 7.764
37 H TYR 13 H TYR 13 5.009 -2.776 1.801
38 HA TYR 13 HA TYR 13 7.285 -2.572 -0.010
39 HB2 TYR 13 2HB TYR 13 4.670 -1.372 -0.902
40 HB3 TYR 13 1HB TYR 13 6.137 -1.651 -1.843
41 HD1 TYR 13 1HD TYR 13 3.148 -3.216 -0.362
42 HD2 TYR 13 2HD TYR 13 6.696 -3.867 -2.695
43 HE1 TYR 13 1HE TYR 13 2.289 -5.437 -1.049
44 HE2 TYR 13 2HE TYR 13 5.836 -6.090 -3.382
45 HH TYR 13 HH TYR 13 2.768 -7.005 -3.212
46 H ASP 14 H ASP 14 7.831 -0.279 -0.460
47 HA ASP 14 HA ASP 14 7.290 1.347 1.925
48 HB2 ASP 14 2HB ASP 14 9.646 0.852 1.052
49 HB3 ASP 14 1HB ASP 14 9.270 1.962 -0.264
50 H LEU 15 H LEU 15 5.558 2.624 1.750
51 HA LEU 15 HA LEU 15 5.007 3.952 -0.833
52 HB2 LEU 15 2HB LEU 15 3.114 3.886 1.508
53 HB3 LEU 15 1HB LEU 15 2.749 4.098 -0.203
54 HG LEU 15 HG LEU 15 3.773 1.548 1.084
55 HD11 LEU 15 1HD1 LEU 15 1.474 1.824 1.670
56 HD12 LEU 15 2HD1 LEU 15 1.481 0.735 0.282
57 HD13 LEU 15 3HD1 LEU 15 1.066 2.437 0.067
58 HD21 LEU 15 3HD2 LEU 15 3.225 0.605 -1.204
59 HD22 LEU 15 1HD2 LEU 15 4.608 1.696 -1.178
60 HD23 LEU 15 2HD2 LEU 15 3.048 2.265 -1.773
61 H SER 16 H SER 16 7.123 4.894 0.768
62 HA SER 16 HA SER 16 6.797 6.809 2.636
63 HB2 SER 16 2HB SER 16 8.486 7.041 0.137
64 HB3 SER 16 1HB SER 16 8.654 8.071 1.558
65 HG SER 16 HG SER 16 8.835 5.234 1.540
66 H LYS 17 H LYS 17 5.973 7.147 -0.786
67 HA LYS 17 HA LYS 17 4.152 9.316 -0.144
68 HB2 LYS 17 2HB LYS 17 5.172 10.791 -1.937
69 HB3 LYS 17 1HB LYS 17 6.096 10.665 -0.441
70 HG2 LYS 17 2HG LYS 17 6.854 8.536 -2.267
71 HG3 LYS 17 1HG LYS 17 7.016 10.103 -3.057
72 HD2 LYS 17 2HD LYS 17 8.328 10.919 -1.099
73 HD3 LYS 17 1HD LYS 17 8.234 9.305 -0.396
74 HE2 LYS 17 2HE LYS 17 9.704 10.202 -2.863
75 HE3 LYS 17 1HE LYS 17 10.302 9.255 -1.502
76 HZ1 LYS 17 3HZ LYS 17 8.786 7.457 -2.212
77 HZ2 LYS 17 1HZ LYS 17 9.983 7.814 -3.360
78 HZ3 LYS 17 2HZ LYS 17 8.393 8.365 -3.592
79 H TRP 18 H TRP 18 2.398 9.160 -1.383
80 HA TRP 18 HA TRP 18 2.604 7.949 -4.060
81 HB2 TRP 18 2HB TRP 18 1.016 6.943 -1.730
82 HB3 TRP 18 1HB TRP 18 0.300 6.828 -3.335
83 HD1 TRP 18 HD TRP 18 3.666 5.937 -1.632
84 HE1 TRP 18 1HE TRP 18 4.536 3.752 -2.682
85 HE3 TRP 18 3HE TRP 18 0.029 5.126 -5.120
86 HZ2 TRP 18 2HZ TRP 18 3.787 1.900 -4.729
87 HZ3 TRP 18 3HZ TRP 18 0.130 3.144 -6.605
88 HH2 TRP 18 HH TRP 18 2.003 1.530 -6.414
89 H LYS 19 H LYS 19 0.508 8.248 -5.278
90 HA LYS 19 HA LYS 19 -0.635 10.901 -4.622
91 HB2 LYS 19 2HB LYS 19 -0.201 9.549 -7.293
92 HB3 LYS 19 1HB LYS 19 -1.072 11.066 -7.077
93 HG2 LYS 19 2HG LYS 19 0.842 12.262 -6.789
94 HG3 LYS 19 1HG LYS 19 1.555 11.035 -5.743
95 HD2 LYS 19 2HD LYS 19 2.337 9.759 -7.589
96 HD3 LYS 19 1HD LYS 19 1.320 10.642 -8.730
97 HE2 LYS 19 2HE LYS 19 3.615 11.434 -8.940
98 HE3 LYS 19 1HE LYS 19 2.631 12.711 -8.226
99 HZ1 LYS 19 3HZ LYS 19 4.666 11.010 -6.972
100 HZ2 LYS 19 1HZ LYS 19 3.384 11.583 -6.018
101 HZ3 LYS 19 2HZ LYS 19 4.407 12.683 -6.814
102 H TYR 20 H TYR 20 -2.843 11.220 -4.796
103 HA TYR 20 HA TYR 20 -4.561 9.173 -4.063
104 HB2 TYR 20 2HB TYR 20 -5.176 11.519 -3.829
105 HB3 TYR 20 1HB TYR 20 -5.202 11.713 -5.581
106 HD1 TYR 20 1HD TYR 20 -6.941 10.606 -6.949
107 HD2 TYR 20 2HD TYR 20 -6.968 10.392 -2.659
108 HE1 TYR 20 1HE TYR 20 -9.295 9.827 -7.003
109 HE2 TYR 20 2HE TYR 20 -9.323 9.612 -2.713
110 HH TYR 20 HH TYR 20 -11.245 9.768 -5.534
111 H ALA 21 H ALA 21 -3.592 10.239 -7.270
112 HA ALA 21 HA ALA 21 -5.524 8.702 -8.707
113 HB1 ALA 21 1HB ALA 21 -2.842 9.777 -9.610
114 HB2 ALA 21 2HB ALA 21 -4.378 10.638 -9.709
115 HB3 ALA 21 3HB ALA 21 -4.122 9.179 -10.666
116 H GLU 22 H GLU 22 -2.138 8.175 -7.780
117 HA GLU 22 HA GLU 22 -1.825 5.685 -9.091
118 HB2 GLU 22 2HB GLU 22 -0.412 6.901 -6.711
119 HB3 GLU 22 1HB GLU 22 0.078 5.382 -7.462
120 HG2 GLU 22 2HG GLU 22 -0.232 7.952 -9.028
121 HG3 GLU 22 1HG GLU 22 1.294 7.463 -8.294
122 H LEU 23 H LEU 23 -2.750 6.525 -5.760
123 HA LEU 23 HA LEU 23 -2.959 3.869 -4.805
124 HB2 LEU 23 2HB LEU 23 -4.452 6.331 -3.870
125 HB3 LEU 23 1HB LEU 23 -4.237 4.839 -2.958
126 HG LEU 23 HG LEU 23 -1.892 6.450 -3.983
127 HD11 LEU 23 1HD1 LEU 23 -3.024 7.985 -2.554
128 HD12 LEU 23 2HD1 LEU 23 -1.776 7.248 -1.549
129 HD13 LEU 23 3HD1 LEU 23 -3.452 6.716 -1.407
130 HD21 LEU 23 3HD2 LEU 23 -2.289 4.245 -1.948
131 HD22 LEU 23 1HD2 LEU 23 -0.840 5.248 -1.964
132 HD23 LEU 23 2HD2 LEU 23 -1.233 4.247 -3.360
133 H ARG 24 H ARG 24 -5.405 6.116 -6.091
134 HA ARG 24 HA ARG 24 -7.565 4.264 -5.881
135 HB2 ARG 24 2HB ARG 24 -7.739 6.796 -6.050
136 HB3 ARG 24 1HB ARG 24 -7.396 6.616 -7.770
137 HG2 ARG 24 2HG ARG 24 -9.710 6.527 -7.827
138 HG3 ARG 24 1HG ARG 24 -9.353 4.814 -7.620
139 HD2 ARG 24 2HD ARG 24 -9.474 5.293 -5.082
140 HD3 ARG 24 1HD ARG 24 -10.252 6.805 -5.539
141 HE ARG 24 HE ARG 24 -11.424 4.426 -6.728
142 HH11 ARG 24 1HH2 ARG 24 -11.370 6.667 -4.091
143 HH12 ARG 24 2HH2 ARG 24 -13.000 6.345 -3.604
144 HH21 ARG 24 1HH1 ARG 24 -13.564 4.000 -6.093
145 HH22 ARG 24 2HH1 ARG 24 -14.242 4.835 -4.737
146 H ASP 25 H ASP 25 -5.238 5.063 -8.398
147 HA ASP 25 HA ASP 25 -6.541 3.569 -10.467
148 HB2 ASP 25 2HB ASP 25 -5.012 5.368 -11.042
149 HB3 ASP 25 1HB ASP 25 -3.692 4.554 -10.206
150 H THR 26 H THR 26 -3.733 2.943 -8.364
151 HA THR 26 HA THR 26 -3.010 0.441 -9.326
152 HB THR 26 HB THR 26 -2.932 1.487 -6.486
153 HG1 THR 26 1HG THR 26 -1.755 2.609 -8.170
154 HG21 THR 26 3HG2 THR 26 -1.049 -0.248 -6.325
155 HG22 THR 26 1HG2 THR 26 -1.729 -0.958 -7.788
156 HG23 THR 26 2HG2 THR 26 -2.698 -0.872 -6.317
157 H ILE 27 H ILE 27 -5.475 1.288 -6.921
158 HA ILE 27 HA ILE 27 -6.199 -1.435 -6.372
159 HB ILE 27 HB ILE 27 -7.672 1.158 -5.842
160 HG12 ILE 27 2HG1 ILE 27 -6.118 -0.587 -3.914
161 HG13 ILE 27 1HG1 ILE 27 -5.380 0.769 -4.767
162 HG21 ILE 27 1HG2 ILE 27 -8.169 -1.706 -5.018
163 HG22 ILE 27 2HG2 ILE 27 -9.300 -0.564 -5.744
164 HG23 ILE 27 3HG2 ILE 27 -8.785 -0.351 -4.071
165 HD11 ILE 27 3HD1 ILE 27 -6.835 2.346 -3.732
166 HD12 ILE 27 1HD1 ILE 27 -6.314 1.274 -2.433
167 HD13 ILE 27 2HD1 ILE 27 -7.915 1.080 -3.149
168 H ASN 28 H ASN 28 -7.121 0.965 -8.718
169 HA ASN 28 HA ASN 28 -9.428 -0.631 -9.599
170 HB2 ASN 28 2HB ASN 28 -8.450 2.141 -10.288
171 HB3 ASN 28 1HB ASN 28 -9.754 1.344 -11.167
172 HD21 ASN 28 1HD2 ASN 28 -8.872 1.783 -7.682
173 HD22 ASN 28 2HD2 ASN 28 -10.440 2.217 -7.200
174 H THR 29 H THR 29 -6.428 -1.215 -9.982
175 HA THR 29 HA THR 29 -6.683 -1.988 -12.796
176 HB THR 29 HB THR 29 -4.355 -1.170 -13.258
177 HG1 THR 29 1HG THR 29 -4.201 -0.869 -10.766
178 HG21 THR 29 3HG2 THR 29 -5.033 1.115 -13.681
179 HG22 THR 29 1HG2 THR 29 -6.294 1.012 -12.452
180 HG23 THR 29 2HG2 THR 29 -6.430 0.069 -13.936
181 H SER 30 H SER 30 -4.481 -1.973 -9.987
182 HA SER 30 HA SER 30 -3.418 -4.580 -10.725
183 HB2 SER 30 2HB SER 30 -2.185 -2.559 -9.572
184 HB3 SER 30 1HB SER 30 -2.856 -3.249 -8.098
185 HG SER 30 HG SER 30 -0.849 -4.156 -9.728
186 H CYS 31 H CYS 31 -3.177 -6.142 -8.736
187 HA CYS 31 HA CYS 31 -5.466 -6.207 -6.965
188 HB2 CYS 31 2HB CYS 31 -6.259 -7.139 -9.209
189 HB3 CYS 31 1HB CYS 31 -5.167 -8.491 -8.913
190 HG CYS 31 HG CYS 31 -6.871 -8.129 -6.478
191 H ASP 32 H ASP 32 -4.756 -6.983 -5.097
192 HA ASP 32 HA ASP 32 -3.271 -9.378 -4.820
193 HB2 ASP 32 2HB ASP 32 -1.571 -7.522 -5.674
194 HB3 ASP 32 1HB ASP 32 -1.585 -7.057 -3.976
195 H ILE 33 H ILE 33 -2.921 -9.939 -2.609
196 HA ILE 33 HA ILE 33 -4.797 -8.650 -0.816
197 HB ILE 33 HB ILE 33 -2.911 -10.970 -0.325
198 HG12 ILE 33 2HG1 ILE 33 -5.871 -11.046 -0.969
199 HG13 ILE 33 1HG1 ILE 33 -4.621 -11.232 -2.200
200 HG21 ILE 33 1HG2 ILE 33 -5.197 -9.741 1.214
201 HG22 ILE 33 2HG2 ILE 33 -3.593 -10.190 1.794
202 HG23 ILE 33 3HG2 ILE 33 -4.779 -11.441 1.423
203 HD11 ILE 33 3HD1 ILE 33 -3.776 -13.219 -1.183
204 HD12 ILE 33 1HD1 ILE 33 -5.530 -13.401 -1.199
205 HD13 ILE 33 2HD1 ILE 33 -4.704 -12.943 0.291
206 H GLU 34 H GLU 34 -1.644 -8.070 -1.669
207 HA GLU 34 HA GLU 34 -0.875 -7.102 1.014
208 HB2 GLU 34 2HB GLU 34 0.912 -7.296 -1.408
209 HB3 GLU 34 1HB GLU 34 1.382 -7.166 0.285
210 HG2 GLU 34 2HG GLU 34 0.275 -9.387 0.692
211 HG3 GLU 34 1HG GLU 34 0.028 -9.524 -1.048
212 H LEU 35 H LEU 35 -0.493 -6.071 -2.392
213 HA LEU 35 HA LEU 35 0.081 -3.394 -1.882
214 HB2 LEU 35 2HB LEU 35 -1.173 -4.806 -4.223
215 HB3 LEU 35 1HB LEU 35 -1.000 -3.055 -4.226
216 HG LEU 35 HG LEU 35 1.292 -4.972 -3.716
217 HD11 LEU 35 1HD1 LEU 35 0.282 -5.149 -6.025
218 HD12 LEU 35 2HD1 LEU 35 1.964 -4.619 -6.008
219 HD13 LEU 35 3HD1 LEU 35 0.672 -3.445 -6.259
220 HD21 LEU 35 3HD2 LEU 35 0.976 -2.001 -3.853
221 HD22 LEU 35 1HD2 LEU 35 2.430 -2.683 -4.581
222 HD23 LEU 35 2HD2 LEU 35 2.080 -2.969 -2.879
223 H LEU 36 H LEU 36 -3.094 -4.868 -2.582
224 HA LEU 36 HA LEU 36 -4.647 -2.565 -2.404
225 HB2 LEU 36 2HB LEU 36 -5.350 -5.389 -1.571
226 HB3 LEU 36 1HB LEU 36 -6.516 -4.088 -1.811
227 HG LEU 36 HG LEU 36 -4.620 -5.151 -3.928
228 HD11 LEU 36 1HD1 LEU 36 -6.507 -6.242 -4.892
229 HD12 LEU 36 2HD1 LEU 36 -7.633 -5.392 -3.835
230 HD13 LEU 36 3HD1 LEU 36 -6.571 -6.636 -3.175
231 HD21 LEU 36 3HD2 LEU 36 -5.004 -2.966 -4.613
232 HD22 LEU 36 1HD2 LEU 36 -6.567 -2.873 -3.803
233 HD23 LEU 36 2HD2 LEU 36 -6.411 -3.755 -5.322
234 H ALA 37 H ALA 37 -3.750 -4.843 0.183
235 HA ALA 37 HA ALA 37 -5.079 -3.460 2.265
236 HB1 ALA 37 1HB ALA 37 -4.384 -5.753 2.588
237 HB2 ALA 37 2HB ALA 37 -3.535 -4.746 3.761
238 HB3 ALA 37 3HB ALA 37 -2.693 -5.322 2.322
239 H ALA 38 H ALA 38 -1.901 -3.136 0.809
240 HA ALA 38 HA ALA 38 -0.886 -1.314 2.791
241 HB1 ALA 38 1HB ALA 38 1.057 -1.223 1.489
242 HB2 ALA 38 2HB ALA 38 0.182 -1.530 -0.012
243 HB3 ALA 38 3HB ALA 38 0.434 -2.836 1.146
244 H CYS 39 H CYS 39 -2.536 -1.050 -0.295
245 HA CYS 39 HA CYS 39 -2.134 1.762 -0.627
246 HB2 CYS 39 2HB CYS 39 -2.725 0.097 -2.450
247 HB3 CYS 39 1HB CYS 39 -4.367 0.102 -1.805
248 HG CYS 39 HG CYS 39 -4.515 2.019 -3.443
249 H ARG 40 H ARG 40 -4.922 -0.190 0.438
250 HA ARG 40 HA ARG 40 -6.744 1.818 0.944
251 HB2 ARG 40 2HB ARG 40 -6.234 -0.795 2.362
252 HB3 ARG 40 1HB ARG 40 -7.580 0.261 2.796
253 HG2 ARG 40 2HG ARG 40 -8.605 0.027 0.685
254 HG3 ARG 40 1HG ARG 40 -7.126 -0.568 -0.069
255 HD2 ARG 40 2HD ARG 40 -8.964 -2.300 0.475
256 HD3 ARG 40 1HD ARG 40 -7.312 -2.685 0.950
257 HE ARG 40 HE ARG 40 -8.772 -1.337 3.033
258 HH11 ARG 40 1HH2 ARG 40 -8.169 -4.358 1.455
259 HH12 ARG 40 2HH2 ARG 40 -8.568 -5.319 2.838
260 HH21 ARG 40 1HH1 ARG 40 -9.297 -2.592 4.853
261 HH22 ARG 40 2HH1 ARG 40 -9.206 -4.319 4.763
262 H GLU 41 H GLU 41 -3.920 0.906 2.808
263 HA GLU 41 HA GLU 41 -4.569 2.265 5.206
264 HB2 GLU 41 2HB GLU 41 -1.983 1.376 3.947
265 HB3 GLU 41 1HB GLU 41 -1.991 2.306 5.446
266 HG2 GLU 41 2HG GLU 41 -3.435 0.628 6.506
267 HG3 GLU 41 1HG GLU 41 -3.489 -0.293 5.004
268 H GLU 42 H GLU 42 -2.817 3.283 2.286
269 HA GLU 42 HA GLU 42 -2.230 5.908 3.271
270 HB2 GLU 42 2HB GLU 42 -2.117 4.580 0.573
271 HB3 GLU 42 1HB GLU 42 -1.885 6.323 0.720
272 HG2 GLU 42 2HG GLU 42 -0.339 4.350 2.402
273 HG3 GLU 42 1HG GLU 42 0.231 4.881 0.823
274 H PHE 43 H PHE 43 -4.766 4.517 1.234
275 HA PHE 43 HA PHE 43 -6.024 6.846 0.378
276 HB2 PHE 43 2HB PHE 43 -6.530 4.427 -0.272
277 HB3 PHE 43 1HB PHE 43 -7.514 4.350 1.190
278 HD1 PHE 43 2HD PHE 43 -7.170 5.857 -2.150
279 HD2 PHE 43 1HD PHE 43 -9.561 5.666 1.411
280 HE1 PHE 43 2HE PHE 43 -9.033 6.980 -3.342
281 HE2 PHE 43 1HE PHE 43 -11.425 6.789 0.220
282 HZ PHE 43 HZ PHE 43 -11.160 7.444 -2.158
283 H HIS 44 H HIS 44 -6.467 5.027 3.393
284 HA HIS 44 HA HIS 44 -8.613 6.532 4.421
285 HB2 HIS 44 2HB HIS 44 -6.446 4.928 5.782
286 HB3 HIS 44 1HB HIS 44 -7.795 5.660 6.651
287 HD2 HIS 44 2HD HIS 44 -8.795 4.261 3.192
288 HE1 HIS 44 1HE HIS 44 -9.972 1.391 6.056
289 HE2 HIS 44 2HE HIS 44 -10.154 2.070 3.616
290 H ARG 45 H ARG 45 -5.113 7.004 4.624
291 HA ARG 45 HA ARG 45 -5.085 9.033 6.566
292 HB2 ARG 45 2HB ARG 45 -3.229 8.459 4.253
293 HB3 ARG 45 1HB ARG 45 -2.909 9.702 5.464
294 HG2 ARG 45 2HG ARG 45 -3.050 7.992 7.247
295 HG3 ARG 45 1HG ARG 45 -3.333 6.751 6.025
296 HD2 ARG 45 2HD ARG 45 -1.162 7.006 5.103
297 HD3 ARG 45 1HD ARG 45 -0.901 8.539 5.933
298 HE ARG 45 HE ARG 45 -1.221 6.802 7.991
299 HH11 ARG 45 1HH2 ARG 45 0.685 6.779 5.104
300 HH12 ARG 45 2HH2 ARG 45 1.973 5.849 5.795
301 HH21 ARG 45 1HH1 ARG 45 0.462 5.582 8.906
302 HH22 ARG 45 2HH1 ARG 45 1.847 5.171 7.949
303 H ARG 46 H ARG 46 -5.877 9.118 3.164
304 HA ARG 46 HA ARG 46 -5.628 11.938 2.819
305 HB2 ARG 46 2HB ARG 46 -7.527 10.236 1.226
306 HB3 ARG 46 1HB ARG 46 -6.559 11.612 0.698
307 HG2 ARG 46 2HG ARG 46 -5.536 8.859 1.444
308 HG3 ARG 46 1HG ARG 46 -5.547 9.578 -0.165
309 HD2 ARG 46 2HD ARG 46 -4.075 11.418 0.744
310 HD3 ARG 46 1HD ARG 46 -3.933 10.489 2.233
311 HE ARG 46 HE ARG 46 -3.156 8.664 0.443
312 HH11 ARG 46 1HH2 ARG 46 -2.407 12.030 0.752
313 HH12 ARG 46 2HH2 ARG 46 -0.825 11.882 0.063
314 HH21 ARG 46 1HH1 ARG 46 -1.079 8.464 -0.455
315 HH22 ARG 46 2HH1 ARG 46 -0.073 9.865 -0.619
316 H LEU 47 H LEU 47 -8.277 9.805 3.779
317 HA LEU 47 HA LEU 47 -10.300 11.817 3.739
318 HB2 LEU 47 2HB LEU 47 -10.059 9.064 4.910
319 HB3 LEU 47 1HB LEU 47 -11.407 10.094 5.386
320 HG LEU 47 HG LEU 47 -12.009 10.403 3.006
321 HD11 LEU 47 1HD1 LEU 47 -10.871 8.816 1.367
322 HD12 LEU 47 2HD1 LEU 47 -9.636 8.567 2.601
323 HD13 LEU 47 3HD1 LEU 47 -9.887 10.173 1.917
324 HD21 LEU 47 3HD2 LEU 47 -12.858 8.140 2.624
325 HD22 LEU 47 1HD2 LEU 47 -12.974 8.525 4.341
326 HD23 LEU 47 2HD2 LEU 47 -11.678 7.480 3.757
327 H LYS 48 H LYS 48 -7.912 10.792 6.077
328 HA LYS 48 HA LYS 48 -9.109 12.130 8.320
329 HB2 LYS 48 2HB LYS 48 -7.581 10.245 8.653
330 HB3 LYS 48 1HB LYS 48 -6.275 11.155 7.890
331 HG2 LYS 48 2HG LYS 48 -6.232 12.764 9.652
332 HG3 LYS 48 1HG LYS 48 -7.762 12.185 10.312
333 HD2 LYS 48 2HD LYS 48 -6.781 10.159 11.087
334 HD3 LYS 48 1HD LYS 48 -5.321 10.413 10.129
335 HE2 LYS 48 2HE LYS 48 -6.211 12.197 12.415
336 HE3 LYS 48 1HE LYS 48 -4.982 10.938 12.545
337 HZ1 LYS 48 3HZ LYS 48 -4.887 13.468 11.042
338 HZ2 LYS 48 1HZ LYS 48 -3.924 12.158 10.559
339 HZ3 LYS 48 2HZ LYS 48 -3.744 12.815 12.116
340 H VAL 49 H VAL 49 -5.952 12.774 6.791
341 HA VAL 49 HA VAL 49 -5.546 15.315 7.755
342 HB VAL 49 HB VAL 49 -3.908 13.984 6.422
343 HG11 VAL 49 1HG1 VAL 49 -5.272 15.091 3.969
344 HG12 VAL 49 2HG1 VAL 49 -5.711 13.510 4.615
345 HG13 VAL 49 3HG1 VAL 49 -4.059 13.815 4.075
346 HG21 VAL 49 3HG2 VAL 49 -3.542 16.384 6.865
347 HG22 VAL 49 1HG2 VAL 49 -4.462 16.796 5.418
348 HG23 VAL 49 2HG2 VAL 49 -2.925 15.943 5.272
349 H TYR 50 H TYR 50 -6.576 17.183 7.552
350 HA TYR 50 HA TYR 50 -8.235 18.663 6.895
351 HB2 TYR 50 2HB TYR 50 -6.231 19.035 5.352
352 HB3 TYR 50 1HB TYR 50 -7.135 18.134 4.134
353 HD1 TYR 50 1HD TYR 50 -7.327 21.089 6.409
354 HD2 TYR 50 2HD TYR 50 -8.863 19.169 2.886
355 HE1 TYR 50 1HE TYR 50 -8.628 23.127 5.864
356 HE2 TYR 50 2HE TYR 50 -10.164 21.209 2.342
357 HH TYR 50 HH TYR 50 -9.808 24.173 4.233
358 H HIS 51 H HIS 51 -9.524 16.393 7.306
359 HA HIS 51 HA HIS 51 -11.369 15.141 6.745
360 HB2 HIS 51 2HB HIS 51 -12.416 17.331 6.555
361 HB3 HIS 51 1HB HIS 51 -11.816 17.503 4.905
362 HD2 HIS 51 2HD HIS 51 -13.973 14.613 6.640
363 HE1 HIS 51 1HE HIS 51 -15.611 15.522 2.857
364 HE2 HIS 51 2HE HIS 51 -15.848 14.050 4.913
Start of MODEL 18
1 H1 GLY 9 H GLY 9 11.261 -14.719 2.964
2 HA2 GLY 9 2HA GLY 9 8.952 -15.760 4.064
3 HA3 GLY 9 1HA GLY 9 10.122 -14.804 4.969
4 H THR 10 H THR 10 9.921 -12.319 4.066
5 HA THR 10 HA THR 10 7.112 -11.531 3.886
6 HB THR 10 HB THR 10 7.526 -9.875 5.801
7 HG1 THR 10 1HG THR 10 9.862 -11.173 5.717
8 HG21 THR 10 3HG2 THR 10 6.062 -11.889 5.944
9 HG22 THR 10 1HG2 THR 10 6.845 -11.509 7.477
10 HG23 THR 10 2HG2 THR 10 7.456 -12.829 6.477
11 H LYS 11 H LYS 11 6.994 -10.016 2.370
12 HA LYS 11 HA LYS 11 9.117 -7.986 2.182
13 HB2 LYS 11 2HB LYS 11 9.622 -9.758 0.522
14 HB3 LYS 11 1HB LYS 11 8.027 -9.523 -0.190
15 HG2 LYS 11 2HG LYS 11 9.582 -7.027 0.127
16 HG3 LYS 11 1HG LYS 11 10.301 -8.188 -0.987
17 HD2 LYS 11 2HD LYS 11 8.138 -8.344 -2.195
18 HD3 LYS 11 1HD LYS 11 7.459 -7.132 -1.108
19 HE2 LYS 11 2HE LYS 11 8.255 -6.142 -3.252
20 HE3 LYS 11 1HE LYS 11 9.105 -5.489 -1.851
21 HZ1 LYS 11 3HZ LYS 11 10.124 -7.756 -3.467
22 HZ2 LYS 11 1HZ LYS 11 10.958 -6.879 -2.278
23 HZ3 LYS 11 2HZ LYS 11 10.555 -6.139 -3.753
24 H LYS 12 H LYS 12 8.055 -6.151 2.573
25 HA LYS 12 HA LYS 12 5.320 -5.808 1.526
26 HB2 LYS 12 2HB LYS 12 6.816 -4.087 3.517
27 HB3 LYS 12 1HB LYS 12 5.101 -4.000 3.117
28 HG2 LYS 12 2HG LYS 12 4.919 -5.333 4.985
29 HG3 LYS 12 1HG LYS 12 5.231 -6.605 3.805
30 HD2 LYS 12 2HD LYS 12 6.828 -7.112 5.421
31 HD3 LYS 12 1HD LYS 12 7.766 -6.070 4.353
32 HE2 LYS 12 2HE LYS 12 8.132 -5.319 6.621
33 HE3 LYS 12 1HE LYS 12 7.122 -4.120 5.816
34 HZ1 LYS 12 3HZ LYS 12 5.439 -6.056 6.905
35 HZ2 LYS 12 1HZ LYS 12 5.598 -4.433 7.369
36 HZ3 LYS 12 2HZ LYS 12 6.551 -5.625 8.115
37 H TYR 13 H TYR 13 5.410 -2.946 1.670
38 HA TYR 13 HA TYR 13 7.380 -2.171 -0.369
39 HB2 TYR 13 2HB TYR 13 4.457 -1.518 -0.732
40 HB3 TYR 13 1HB TYR 13 5.769 -1.351 -1.899
41 HD1 TYR 13 2HD TYR 13 3.611 -3.772 -0.106
42 HD2 TYR 13 1HD TYR 13 6.555 -3.229 -3.186
43 HE1 TYR 13 2HE TYR 13 3.173 -6.070 -0.930
44 HE2 TYR 13 1HE TYR 13 6.117 -5.526 -4.011
45 HH TYR 13 HH TYR 13 3.423 -7.356 -3.004
46 H ASP 14 H ASP 14 7.845 0.033 -0.403
47 HA ASP 14 HA ASP 14 6.985 1.492 1.997
48 HB2 ASP 14 2HB ASP 14 8.875 2.957 1.551
49 HB3 ASP 14 1HB ASP 14 9.410 1.278 1.516
50 H LEU 15 H LEU 15 5.189 2.658 1.720
51 HA LEU 15 HA LEU 15 4.761 4.056 -0.847
52 HB2 LEU 15 2HB LEU 15 2.688 3.808 1.318
53 HB3 LEU 15 1HB LEU 15 2.463 4.001 -0.421
54 HG LEU 15 HG LEU 15 3.560 1.526 0.949
55 HD11 LEU 15 1HD1 LEU 15 1.397 0.555 -0.025
56 HD12 LEU 15 2HD1 LEU 15 0.876 2.224 -0.256
57 HD13 LEU 15 3HD1 LEU 15 1.215 1.623 1.367
58 HD21 LEU 15 3HD2 LEU 15 3.301 0.543 -1.351
59 HD22 LEU 15 1HD2 LEU 15 4.539 1.794 -1.262
60 HD23 LEU 15 2HD2 LEU 15 2.962 2.164 -1.956
61 H SER 16 H SER 16 6.646 5.002 1.124
62 HA SER 16 HA SER 16 5.915 6.882 2.930
63 HB2 SER 16 2HB SER 16 8.022 7.329 0.806
64 HB3 SER 16 1HB SER 16 7.936 8.120 2.376
65 HG SER 16 HG SER 16 7.939 5.315 2.209
66 H LYS 17 H LYS 17 5.855 7.282 -0.591
67 HA LYS 17 HA LYS 17 3.954 9.497 -0.265
68 HB2 LYS 17 2HB LYS 17 6.548 9.655 -1.810
69 HB3 LYS 17 1HB LYS 17 5.208 10.770 -2.063
70 HG2 LYS 17 2HG LYS 17 6.552 10.300 0.617
71 HG3 LYS 17 1HG LYS 17 6.938 11.636 -0.466
72 HD2 LYS 17 2HD LYS 17 4.298 12.019 -0.366
73 HD3 LYS 17 1HD LYS 17 4.473 11.175 1.173
74 HE2 LYS 17 2HE LYS 17 6.201 12.795 1.866
75 HE3 LYS 17 1HE LYS 17 6.019 13.646 0.332
76 HZ1 LYS 17 3HZ LYS 17 3.751 14.142 0.869
77 HZ2 LYS 17 1HZ LYS 17 4.732 14.647 2.157
78 HZ3 LYS 17 2HZ LYS 17 3.828 13.215 2.290
79 H TRP 18 H TRP 18 2.305 9.317 -1.644
80 HA TRP 18 HA TRP 18 2.682 7.923 -4.203
81 HB2 TRP 18 2HB TRP 18 0.977 7.028 -1.926
82 HB3 TRP 18 1HB TRP 18 0.296 6.885 -3.545
83 HD1 TRP 18 HD TRP 18 3.580 5.948 -1.714
84 HE1 TRP 18 1HE TRP 18 4.431 3.721 -2.694
85 HE3 TRP 18 3HE TRP 18 0.055 5.167 -5.325
86 HZ2 TRP 18 2HZ TRP 18 3.711 1.854 -4.736
87 HZ3 TRP 18 3HZ TRP 18 0.158 3.157 -6.770
88 HH2 TRP 18 HH TRP 18 1.981 1.500 -6.480
89 H LYS 19 H LYS 19 0.784 8.227 -5.649
90 HA LYS 19 HA LYS 19 -0.330 10.933 -5.271
91 HB2 LYS 19 2HB LYS 19 0.144 9.212 -7.707
92 HB3 LYS 19 1HB LYS 19 -0.877 10.649 -7.762
93 HG2 LYS 19 2HG LYS 19 1.320 11.353 -8.414
94 HG3 LYS 19 1HG LYS 19 1.073 11.943 -6.772
95 HD2 LYS 19 2HD LYS 19 2.465 10.277 -5.837
96 HD3 LYS 19 1HD LYS 19 2.391 9.276 -7.287
97 HE2 LYS 19 2HE LYS 19 4.564 10.416 -7.143
98 HE3 LYS 19 1HE LYS 19 3.652 11.000 -8.535
99 HZ1 LYS 19 3HZ LYS 19 3.466 12.370 -5.930
100 HZ2 LYS 19 1HZ LYS 19 3.146 12.980 -7.480
101 HZ3 LYS 19 2HZ LYS 19 4.750 12.704 -6.993
102 H TYR 20 H TYR 20 -2.509 11.332 -5.353
103 HA TYR 20 HA TYR 20 -4.305 9.425 -4.421
104 HB2 TYR 20 2HB TYR 20 -4.679 11.884 -4.370
105 HB3 TYR 20 1HB TYR 20 -4.975 11.847 -6.108
106 HD1 TYR 20 1HD TYR 20 -6.206 10.665 -2.813
107 HD2 TYR 20 2HD TYR 20 -7.042 11.021 -7.011
108 HE1 TYR 20 1HE TYR 20 -8.562 10.013 -2.400
109 HE2 TYR 20 2HE TYR 20 -9.398 10.370 -6.597
110 HH TYR 20 HH TYR 20 -10.646 9.032 -4.798
111 H ALA 21 H ALA 21 -3.398 10.247 -7.714
112 HA ALA 21 HA ALA 21 -5.487 8.729 -8.965
113 HB1 ALA 21 1HB ALA 21 -2.849 9.713 -10.076
114 HB2 ALA 21 2HB ALA 21 -4.379 10.589 -10.126
115 HB3 ALA 21 3HB ALA 21 -4.193 9.084 -11.027
116 H GLU 22 H GLU 22 -2.022 8.169 -8.363
117 HA GLU 22 HA GLU 22 -1.850 5.631 -9.556
118 HB2 GLU 22 2HB GLU 22 -0.299 6.867 -7.275
119 HB3 GLU 22 1HB GLU 22 0.119 5.319 -8.011
120 HG2 GLU 22 2HG GLU 22 -0.200 7.862 -9.616
121 HG3 GLU 22 1HG GLU 22 1.348 7.339 -8.952
122 H LEU 23 H LEU 23 -2.729 6.608 -6.271
123 HA LEU 23 HA LEU 23 -2.889 4.003 -5.169
124 HB2 LEU 23 2HB LEU 23 -4.325 6.551 -4.385
125 HB3 LEU 23 1HB LEU 23 -4.250 5.091 -3.400
126 HG LEU 23 HG LEU 23 -1.735 6.419 -4.402
127 HD11 LEU 23 1HD1 LEU 23 -1.718 7.423 -1.999
128 HD12 LEU 23 2HD1 LEU 23 -3.463 7.166 -2.050
129 HD13 LEU 23 3HD1 LEU 23 -2.693 8.221 -3.233
130 HD21 LEU 23 3HD2 LEU 23 -0.893 5.365 -2.228
131 HD22 LEU 23 1HD2 LEU 23 -1.363 4.232 -3.494
132 HD23 LEU 23 2HD2 LEU 23 -2.447 4.537 -2.135
133 H ARG 24 H ARG 24 -5.414 6.174 -6.444
134 HA ARG 24 HA ARG 24 -7.520 4.276 -6.170
135 HB2 ARG 24 2HB ARG 24 -7.718 6.819 -6.403
136 HB3 ARG 24 1HB ARG 24 -7.475 6.568 -8.131
137 HG2 ARG 24 2HG ARG 24 -9.788 6.454 -8.037
138 HG3 ARG 24 1HG ARG 24 -9.389 4.753 -7.801
139 HD2 ARG 24 2HD ARG 24 -9.541 5.045 -5.362
140 HD3 ARG 24 1HD ARG 24 -9.903 6.754 -5.581
141 HE ARG 24 HE ARG 24 -11.720 4.949 -6.951
142 HH11 ARG 24 1HH2 ARG 24 -10.954 6.712 -4.074
143 HH12 ARG 24 2HH2 ARG 24 -12.589 6.763 -3.503
144 HH21 ARG 24 1HH1 ARG 24 -13.866 5.010 -6.209
145 HH22 ARG 24 2HH1 ARG 24 -14.238 5.799 -4.713
146 H ASP 25 H ASP 25 -5.210 5.014 -8.703
147 HA ASP 25 HA ASP 25 -6.533 3.485 -10.743
148 HB2 ASP 25 2HB ASP 25 -5.015 5.298 -11.343
149 HB3 ASP 25 1HB ASP 25 -3.681 4.474 -10.538
150 H THR 26 H THR 26 -3.726 2.924 -8.626
151 HA THR 26 HA THR 26 -2.965 0.415 -9.546
152 HB THR 26 HB THR 26 -2.935 1.437 -6.697
153 HG1 THR 26 1HG THR 26 -1.483 2.702 -7.492
154 HG21 THR 26 3HG2 THR 26 -1.575 -0.876 -8.082
155 HG22 THR 26 1HG2 THR 26 -2.555 -0.910 -6.615
156 HG23 THR 26 2HG2 THR 26 -0.950 -0.177 -6.588
157 H ILE 27 H ILE 27 -5.518 1.290 -7.262
158 HA ILE 27 HA ILE 27 -6.182 -1.424 -6.598
159 HB ILE 27 HB ILE 27 -7.736 1.152 -6.250
160 HG12 ILE 27 2HG1 ILE 27 -6.216 -0.488 -4.205
161 HG13 ILE 27 1HG1 ILE 27 -5.505 0.886 -5.051
162 HG21 ILE 27 1HG2 ILE 27 -9.339 -0.595 -6.155
163 HG22 ILE 27 2HG2 ILE 27 -8.904 -0.307 -4.472
164 HG23 ILE 27 3HG2 ILE 27 -8.222 -1.686 -5.333
165 HD11 ILE 27 3HD1 ILE 27 -8.132 1.146 -3.590
166 HD12 ILE 27 1HD1 ILE 27 -7.014 2.420 -4.073
167 HD13 ILE 27 2HD1 ILE 27 -6.595 1.335 -2.747
168 H ASN 28 H ASN 28 -7.267 0.921 -8.983
169 HA ASN 28 HA ASN 28 -9.409 -0.854 -9.898
170 HB2 ASN 28 2HB ASN 28 -8.548 1.904 -10.795
171 HB3 ASN 28 1HB ASN 28 -9.908 1.011 -11.473
172 HD21 ASN 28 1HD2 ASN 28 -8.821 1.401 -8.055
173 HD22 ASN 28 2HD2 ASN 28 -10.303 2.015 -7.504
174 H THR 29 H THR 29 -6.505 -1.519 -10.166
175 HA THR 29 HA THR 29 -6.607 -2.279 -12.981
176 HB THR 29 HB THR 29 -4.249 -1.465 -13.336
177 HG1 THR 29 1HG THR 29 -3.311 -0.314 -11.832
178 HG21 THR 29 3HG2 THR 29 -6.347 -0.268 -14.120
179 HG22 THR 29 1HG2 THR 29 -4.926 0.759 -13.924
180 HG23 THR 29 2HG2 THR 29 -6.193 0.763 -12.698
181 H SER 30 H SER 30 -4.396 -2.182 -10.174
182 HA SER 30 HA SER 30 -3.403 -4.843 -10.798
183 HB2 SER 30 2HB SER 30 -2.095 -2.807 -9.782
184 HB3 SER 30 1HB SER 30 -2.768 -3.378 -8.258
185 HG SER 30 HG SER 30 -1.534 -5.160 -10.059
186 H CYS 31 H CYS 31 -3.122 -6.267 -8.686
187 HA CYS 31 HA CYS 31 -5.406 -6.222 -6.909
188 HB2 CYS 31 2HB CYS 31 -6.345 -7.273 -8.955
189 HB3 CYS 31 1HB CYS 31 -5.098 -8.518 -8.857
190 HG CYS 31 HG CYS 31 -6.699 -9.680 -7.359
191 H ASP 32 H ASP 32 -4.687 -6.875 -4.996
192 HA ASP 32 HA ASP 32 -3.178 -9.238 -4.582
193 HB2 ASP 32 2HB ASP 32 -1.512 -7.380 -5.531
194 HB3 ASP 32 1HB ASP 32 -1.517 -6.867 -3.846
195 H ILE 33 H ILE 33 -3.150 -9.812 -2.431
196 HA ILE 33 HA ILE 33 -4.930 -8.393 -0.695
197 HB ILE 33 HB ILE 33 -3.046 -10.684 -0.081
198 HG12 ILE 33 2HG1 ILE 33 -6.009 -10.768 -0.709
199 HG13 ILE 33 1HG1 ILE 33 -4.764 -11.035 -1.930
200 HG21 ILE 33 1HG2 ILE 33 -4.871 -11.064 1.712
201 HG22 ILE 33 2HG2 ILE 33 -5.339 -9.393 1.401
202 HG23 ILE 33 3HG2 ILE 33 -3.720 -9.759 1.992
203 HD11 ILE 33 3HD1 ILE 33 -4.842 -12.603 0.653
204 HD12 ILE 33 1HD1 ILE 33 -3.947 -12.978 -0.820
205 HD13 ILE 33 2HD1 ILE 33 -5.704 -13.131 -0.791
206 H GLU 34 H GLU 34 -1.708 -7.946 -1.488
207 HA GLU 34 HA GLU 34 -0.983 -6.831 1.140
208 HB2 GLU 34 2HB GLU 34 0.804 -7.044 -1.281
209 HB3 GLU 34 1HB GLU 34 1.271 -6.890 0.414
210 HG2 GLU 34 2HG GLU 34 -0.111 -9.275 -0.849
211 HG3 GLU 34 1HG GLU 34 1.569 -9.207 -0.320
212 H LEU 35 H LEU 35 -0.606 -5.879 -2.290
213 HA LEU 35 HA LEU 35 -0.095 -3.178 -1.843
214 HB2 LEU 35 2HB LEU 35 -1.414 -4.578 -4.172
215 HB3 LEU 35 1HB LEU 35 -1.005 -2.865 -4.190
216 HG LEU 35 HG LEU 35 0.984 -5.092 -3.655
217 HD11 LEU 35 1HD1 LEU 35 0.064 -5.107 -5.981
218 HD12 LEU 35 2HD1 LEU 35 1.782 -4.715 -5.925
219 HD13 LEU 35 3HD1 LEU 35 0.592 -3.434 -6.164
220 HD21 LEU 35 3HD2 LEU 35 2.486 -3.001 -4.397
221 HD22 LEU 35 1HD2 LEU 35 1.994 -3.227 -2.721
222 HD23 LEU 35 2HD2 LEU 35 1.115 -2.099 -3.752
223 H LEU 36 H LEU 36 -3.230 -4.720 -2.585
224 HA LEU 36 HA LEU 36 -4.813 -2.421 -2.427
225 HB2 LEU 36 2HB LEU 36 -5.543 -5.259 -1.663
226 HB3 LEU 36 1HB LEU 36 -6.689 -3.959 -1.983
227 HG LEU 36 HG LEU 36 -4.654 -5.016 -3.971
228 HD11 LEU 36 1HD1 LEU 36 -6.306 -6.702 -3.741
229 HD12 LEU 36 2HD1 LEU 36 -6.836 -5.757 -5.132
230 HD13 LEU 36 3HD1 LEU 36 -7.605 -5.522 -3.564
231 HD21 LEU 36 3HD2 LEU 36 -6.660 -2.781 -3.992
232 HD22 LEU 36 1HD2 LEU 36 -6.356 -3.659 -5.491
233 HD23 LEU 36 2HD2 LEU 36 -5.035 -2.829 -4.673
234 H ALA 37 H ALA 37 -3.964 -4.760 0.119
235 HA ALA 37 HA ALA 37 -5.387 -3.498 2.203
236 HB1 ALA 37 1HB ALA 37 -2.841 -5.111 2.465
237 HB2 ALA 37 2HB ALA 37 -4.442 -5.823 2.269
238 HB3 ALA 37 3HB ALA 37 -4.075 -4.859 3.700
239 H ALA 38 H ALA 38 -2.203 -2.953 0.830
240 HA ALA 38 HA ALA 38 -1.306 -1.197 2.923
241 HB1 ALA 38 1HB ALA 38 0.632 -0.901 1.634
242 HB2 ALA 38 2HB ALA 38 -0.214 -1.217 0.119
243 HB3 ALA 38 3HB ALA 38 0.121 -2.540 1.234
244 H CYS 39 H CYS 39 -2.705 -0.768 -0.306
245 HA CYS 39 HA CYS 39 -2.518 2.057 -0.381
246 HB2 CYS 39 2HB CYS 39 -2.954 0.539 -2.345
247 HB3 CYS 39 1HB CYS 39 -4.602 0.344 -1.748
248 HG CYS 39 HG CYS 39 -3.440 2.924 -2.995
249 H ARG 40 H ARG 40 -5.266 -0.081 0.414
250 HA ARG 40 HA ARG 40 -7.129 1.884 1.054
251 HB2 ARG 40 2HB ARG 40 -6.742 -0.902 2.158
252 HB3 ARG 40 1HB ARG 40 -8.134 0.106 2.551
253 HG2 ARG 40 2HG ARG 40 -8.590 0.331 0.091
254 HG3 ARG 40 1HG ARG 40 -7.299 -0.834 -0.206
255 HD2 ARG 40 2HD ARG 40 -9.348 -2.079 -0.177
256 HD3 ARG 40 1HD ARG 40 -8.522 -2.427 1.338
257 HE ARG 40 HE ARG 40 -10.163 -0.288 1.906
258 HH11 ARG 40 1HH2 ARG 40 -10.527 -3.470 0.597
259 HH12 ARG 40 2HH2 ARG 40 -12.131 -3.689 1.212
260 HH21 ARG 40 1HH1 ARG 40 -12.266 -0.567 2.716
261 HH22 ARG 40 2HH1 ARG 40 -13.116 -2.046 2.411
262 H GLU 41 H GLU 41 -4.430 0.655 2.915
263 HA GLU 41 HA GLU 41 -5.244 1.715 5.436
264 HB2 GLU 41 2HB GLU 41 -2.644 0.713 4.306
265 HB3 GLU 41 1HB GLU 41 -2.692 1.481 5.892
266 HG2 GLU 41 2HG GLU 41 -4.597 -0.747 5.179
267 HG3 GLU 41 1HG GLU 41 -2.981 -1.089 5.798
268 H GLU 42 H GLU 42 -2.864 2.864 3.021
269 HA GLU 42 HA GLU 42 -2.422 5.326 4.424
270 HB2 GLU 42 2HB GLU 42 -0.856 5.818 2.783
271 HB3 GLU 42 1HB GLU 42 -0.877 4.057 2.728
272 HG2 GLU 42 2HG GLU 42 -1.082 4.567 0.469
273 HG3 GLU 42 1HG GLU 42 -2.776 4.433 0.930
274 H PHE 43 H PHE 43 -4.606 4.255 1.919
275 HA PHE 43 HA PHE 43 -5.392 6.774 0.906
276 HB2 PHE 43 2HB PHE 43 -5.917 4.473 -0.058
277 HB3 PHE 43 1HB PHE 43 -7.186 4.360 1.161
278 HD1 PHE 43 2HD PHE 43 -9.019 6.092 1.212
279 HD2 PHE 43 1HD PHE 43 -6.195 5.813 -2.013
280 HE1 PHE 43 2HE PHE 43 -10.523 7.445 -0.223
281 HE2 PHE 43 1HE PHE 43 -7.698 7.166 -3.447
282 HZ PHE 43 HZ PHE 43 -9.863 7.983 -2.551
283 H HIS 44 H HIS 44 -6.373 4.927 3.729
284 HA HIS 44 HA HIS 44 -8.678 6.454 4.380
285 HB2 HIS 44 2HB HIS 44 -6.848 4.785 6.123
286 HB3 HIS 44 1HB HIS 44 -8.398 5.447 6.644
287 HD2 HIS 44 2HD HIS 44 -9.167 4.497 3.166
288 HE1 HIS 44 1HE HIS 44 -9.659 0.877 5.281
289 HE2 HIS 44 2HE HIS 44 -10.127 2.068 3.089
290 H ARG 45 H ARG 45 -5.259 6.724 5.235
291 HA ARG 45 HA ARG 45 -5.505 8.747 7.183
292 HB2 ARG 45 2HB ARG 45 -3.187 8.330 5.282
293 HB3 ARG 45 1HB ARG 45 -3.140 9.114 6.862
294 HG2 ARG 45 2HG ARG 45 -3.987 6.910 7.834
295 HG3 ARG 45 1HG ARG 45 -3.645 6.193 6.259
296 HD2 ARG 45 2HD ARG 45 -1.691 7.482 8.170
297 HD3 ARG 45 1HD ARG 45 -1.694 5.820 7.587
298 HE ARG 45 HE ARG 45 -1.432 7.794 5.486
299 HH11 ARG 45 1HH2 ARG 45 0.165 5.854 7.865
300 HH12 ARG 45 2HH2 ARG 45 1.690 5.856 7.043
301 HH21 ARG 45 1HH1 ARG 45 0.564 7.800 4.402
302 HH22 ARG 45 2HH1 ARG 45 1.915 6.957 5.082
303 H ARG 46 H ARG 46 -5.233 8.866 3.663
304 HA ARG 46 HA ARG 46 -4.778 11.595 3.310
305 HB2 ARG 46 2HB ARG 46 -6.459 9.739 1.606
306 HB3 ARG 46 1HB ARG 46 -5.829 11.303 1.095
307 HG2 ARG 46 2HG ARG 46 -3.933 9.235 2.183
308 HG3 ARG 46 1HG ARG 46 -4.494 9.103 0.516
309 HD2 ARG 46 2HD ARG 46 -3.736 11.446 0.114
310 HD3 ARG 46 1HD ARG 46 -3.091 11.491 1.752
311 HE ARG 46 HE ARG 46 -2.048 9.249 0.346
312 HH11 ARG 46 1HH2 ARG 46 -1.886 12.698 0.575
313 HH12 ARG 46 2HH2 ARG 46 -0.248 12.795 0.024
314 HH21 ARG 46 1HH1 ARG 46 0.101 9.369 -0.379
315 HH22 ARG 46 2HH1 ARG 46 0.877 10.912 -0.516
316 H LEU 47 H LEU 47 -7.732 9.856 4.069
317 HA LEU 47 HA LEU 47 -9.500 12.063 3.617
318 HB2 LEU 47 2HB LEU 47 -10.089 9.783 5.489
319 HB3 LEU 47 1HB LEU 47 -11.197 10.672 4.442
320 HG LEU 47 HG LEU 47 -9.040 8.731 3.565
321 HD11 LEU 47 1HD1 LEU 47 -11.192 7.785 4.461
322 HD12 LEU 47 2HD1 LEU 47 -10.896 7.393 2.766
323 HD13 LEU 47 3HD1 LEU 47 -12.048 8.660 3.191
324 HD21 LEU 47 3HD2 LEU 47 -10.086 9.191 1.273
325 HD22 LEU 47 1HD2 LEU 47 -9.077 10.478 1.931
326 HD23 LEU 47 2HD2 LEU 47 -10.835 10.608 2.009
327 H LYS 48 H LYS 48 -7.914 10.687 6.477
328 HA LYS 48 HA LYS 48 -9.091 12.606 8.278
329 HB2 LYS 48 2HB LYS 48 -6.848 10.601 8.592
330 HB3 LYS 48 1HB LYS 48 -7.415 11.639 9.899
331 HG2 LYS 48 2HG LYS 48 -9.435 10.032 8.369
332 HG3 LYS 48 1HG LYS 48 -8.435 9.207 9.562
333 HD2 LYS 48 2HD LYS 48 -9.772 11.784 10.334
334 HD3 LYS 48 1HD LYS 48 -10.733 10.306 10.281
335 HE2 LYS 48 2HE LYS 48 -9.415 9.249 11.935
336 HE3 LYS 48 1HE LYS 48 -8.096 10.406 11.747
337 HZ1 LYS 48 3HZ LYS 48 -9.813 10.594 13.705
338 HZ2 LYS 48 1HZ LYS 48 -10.721 11.427 12.540
339 HZ3 LYS 48 2HZ LYS 48 -9.169 11.978 12.960
340 H VAL 49 H VAL 49 -5.690 12.082 8.573
341 HA VAL 49 HA VAL 49 -5.063 14.797 8.868
342 HB VAL 49 HB VAL 49 -3.620 13.032 9.740
343 HG11 VAL 49 1HG1 VAL 49 -2.409 11.533 8.350
344 HG12 VAL 49 2HG1 VAL 49 -2.766 12.465 6.896
345 HG13 VAL 49 3HG1 VAL 49 -4.042 11.538 7.686
346 HG21 VAL 49 3HG2 VAL 49 -2.104 14.520 7.583
347 HG22 VAL 49 1HG2 VAL 49 -1.515 14.021 9.168
348 HG23 VAL 49 2HG2 VAL 49 -2.707 15.314 9.039
349 H TYR 50 H TYR 50 -4.816 16.384 7.446
350 HA TYR 50 HA TYR 50 -4.029 15.750 4.677
351 HB2 TYR 50 2HB TYR 50 -6.551 16.008 4.896
352 HB3 TYR 50 1HB TYR 50 -6.252 17.694 5.317
353 HD1 TYR 50 1HD TYR 50 -5.514 15.129 2.697
354 HD2 TYR 50 2HD TYR 50 -5.914 19.303 3.629
355 HE1 TYR 50 1HE TYR 50 -5.284 15.688 0.292
356 HE2 TYR 50 2HE TYR 50 -5.686 19.862 1.224
357 HH TYR 50 HH TYR 50 -5.597 17.350 -1.245
358 H HIS 51 H HIS 51 -2.146 16.783 4.470
359 HA HIS 51 HA HIS 51 -1.145 18.871 5.969
360 HB2 HIS 51 2HB HIS 51 -0.599 18.504 3.017
361 HB3 HIS 51 1HB HIS 51 0.473 19.207 4.230
362 HD2 HIS 51 2HD HIS 51 1.161 16.308 2.533
363 HE1 HIS 51 1HE HIS 51 0.825 14.637 6.395
364 HE2 HIS 51 2HE HIS 51 1.692 14.245 4.041
Start of MODEL 19
1 H1 GLY 9 H GLY 9 9.152 -10.664 9.152
2 HA2 GLY 9 2HA GLY 9 8.522 -13.169 8.190
3 HA3 GLY 9 1HA GLY 9 7.663 -13.042 9.723
4 H THR 10 H THR 10 8.315 -10.894 6.940
5 HA THR 10 HA THR 10 5.626 -10.724 6.096
6 HB THR 10 HB THR 10 5.075 -9.540 8.073
7 HG1 THR 10 1HG THR 10 5.096 -8.354 5.746
8 HG21 THR 10 3HG2 THR 10 6.448 -7.661 8.915
9 HG22 THR 10 1HG2 THR 10 7.615 -7.947 7.624
10 HG23 THR 10 2HG2 THR 10 7.366 -9.167 8.873
11 H LYS 11 H LYS 11 5.423 -9.528 4.214
12 HA LYS 11 HA LYS 11 7.843 -8.101 3.277
13 HB2 LYS 11 2HB LYS 11 7.794 -10.286 2.203
14 HB3 LYS 11 1HB LYS 11 6.121 -10.032 1.705
15 HG2 LYS 11 2HG LYS 11 6.734 -8.246 0.233
16 HG3 LYS 11 1HG LYS 11 8.366 -8.171 0.899
17 HD2 LYS 11 2HD LYS 11 8.964 -10.271 -0.068
18 HD3 LYS 11 1HD LYS 11 7.284 -10.647 -0.457
19 HE2 LYS 11 2HE LYS 11 8.545 -9.900 -2.461
20 HE3 LYS 11 1HE LYS 11 7.221 -8.800 -2.072
21 HZ1 LYS 11 3HZ LYS 11 9.904 -8.175 -2.328
22 HZ2 LYS 11 1HZ LYS 11 9.559 -8.048 -0.674
23 HZ3 LYS 11 2HZ LYS 11 8.653 -7.155 -1.798
24 H LYS 12 H LYS 12 7.157 -6.035 3.359
25 HA LYS 12 HA LYS 12 4.576 -5.374 2.061
26 HB2 LYS 12 2HB LYS 12 4.834 -3.203 3.405
27 HB3 LYS 12 1HB LYS 12 4.428 -4.659 4.310
28 HG2 LYS 12 2HG LYS 12 7.333 -4.066 3.938
29 HG3 LYS 12 1HG LYS 12 6.442 -3.028 5.049
30 HD2 LYS 12 2HD LYS 12 6.114 -6.010 5.254
31 HD3 LYS 12 1HD LYS 12 7.553 -5.251 5.936
32 HE2 LYS 12 2HE LYS 12 6.294 -3.950 7.454
33 HE3 LYS 12 1HE LYS 12 4.796 -4.194 6.557
34 HZ1 LYS 12 3HZ LYS 12 5.897 -6.682 7.327
35 HZ2 LYS 12 1HZ LYS 12 4.385 -6.020 7.715
36 HZ3 LYS 12 2HZ LYS 12 5.734 -5.681 8.689
37 H TYR 13 H TYR 13 4.909 -2.704 1.661
38 HA TYR 13 HA TYR 13 7.309 -2.468 -0.052
39 HB2 TYR 13 2HB TYR 13 4.567 -1.451 -0.819
40 HB3 TYR 13 1HB TYR 13 6.017 -1.508 -1.822
41 HD1 TYR 13 1HD TYR 13 7.047 -3.813 -2.321
42 HD2 TYR 13 2HD TYR 13 3.083 -3.287 -0.748
43 HE1 TYR 13 1HE TYR 13 6.449 -6.104 -3.057
44 HE2 TYR 13 2HE TYR 13 2.488 -5.579 -1.485
45 HH TYR 13 HH TYR 13 4.170 -7.849 -1.972
46 H ASP 14 H ASP 14 7.842 -0.212 -0.593
47 HA ASP 14 HA ASP 14 7.357 1.526 1.724
48 HB2 ASP 14 2HB ASP 14 9.690 1.108 1.028
49 HB3 ASP 14 1HB ASP 14 9.334 1.810 -0.549
50 H LEU 15 H LEU 15 5.627 2.795 1.536
51 HA LEU 15 HA LEU 15 5.066 4.068 -1.077
52 HB2 LEU 15 2HB LEU 15 3.080 3.895 1.178
53 HB3 LEU 15 1HB LEU 15 2.783 4.092 -0.548
54 HG LEU 15 HG LEU 15 3.901 1.589 0.755
55 HD11 LEU 15 1HD1 LEU 15 1.672 0.640 0.062
56 HD12 LEU 15 2HD1 LEU 15 1.153 2.281 -0.319
57 HD13 LEU 15 3HD1 LEU 15 1.568 1.848 1.341
58 HD21 LEU 15 3HD2 LEU 15 3.086 2.247 -2.092
59 HD22 LEU 15 1HD2 LEU 15 3.428 0.616 -1.517
60 HD23 LEU 15 2HD2 LEU 15 4.705 1.833 -1.529
61 H SER 16 H SER 16 7.047 5.014 0.796
62 HA SER 16 HA SER 16 6.461 6.928 2.602
63 HB2 SER 16 2HB SER 16 8.742 6.631 2.086
64 HB3 SER 16 1HB SER 16 8.488 6.966 0.375
65 HG SER 16 HG SER 16 8.245 9.091 0.823
66 H LYS 17 H LYS 17 6.248 7.352 -0.920
67 HA LYS 17 HA LYS 17 4.352 9.558 -0.487
68 HB2 LYS 17 2HB LYS 17 6.993 9.737 -1.881
69 HB3 LYS 17 1HB LYS 17 5.635 10.662 -2.525
70 HG2 LYS 17 2HG LYS 17 5.409 11.941 -0.571
71 HG3 LYS 17 1HG LYS 17 6.264 10.758 0.419
72 HD2 LYS 17 2HD LYS 17 7.701 12.695 0.027
73 HD3 LYS 17 1HD LYS 17 8.359 11.285 -0.803
74 HE2 LYS 17 2HE LYS 17 7.524 12.032 -2.924
75 HE3 LYS 17 1HE LYS 17 6.553 13.294 -2.167
76 HZ1 LYS 17 3HZ LYS 17 8.425 14.406 -2.925
77 HZ2 LYS 17 1HZ LYS 17 9.485 13.160 -2.478
78 HZ3 LYS 17 2HZ LYS 17 8.779 14.142 -1.285
79 H TRP 18 H TRP 18 2.637 9.388 -1.789
80 HA TRP 18 HA TRP 18 2.884 7.986 -4.363
81 HB2 TRP 18 2HB TRP 18 1.258 7.135 -2.012
82 HB3 TRP 18 1HB TRP 18 0.508 6.996 -3.601
83 HD1 TRP 18 HD TRP 18 3.862 6.023 -1.919
84 HE1 TRP 18 1HE TRP 18 4.625 3.768 -2.909
85 HE3 TRP 18 3HE TRP 18 0.141 5.252 -5.329
86 HZ2 TRP 18 2HZ TRP 18 3.769 1.885 -4.882
87 HZ3 TRP 18 3HZ TRP 18 0.138 3.220 -6.748
88 HH2 TRP 18 HH TRP 18 1.945 1.535 -6.528
89 H LYS 19 H LYS 19 0.829 8.258 -5.663
90 HA LYS 19 HA LYS 19 -0.192 11.004 -5.267
91 HB2 LYS 19 2HB LYS 19 -0.347 9.396 -7.815
92 HB3 LYS 19 1HB LYS 19 -0.491 11.143 -7.611
93 HG2 LYS 19 2HG LYS 19 2.016 9.502 -7.131
94 HG3 LYS 19 1HG LYS 19 1.726 10.568 -8.506
95 HD2 LYS 19 2HD LYS 19 1.345 12.425 -6.756
96 HD3 LYS 19 1HD LYS 19 2.096 11.318 -5.606
97 HE2 LYS 19 2HE LYS 19 3.875 12.671 -6.441
98 HE3 LYS 19 1HE LYS 19 4.028 11.124 -7.272
99 HZ1 LYS 19 3HZ LYS 19 2.408 12.376 -8.939
100 HZ2 LYS 19 1HZ LYS 19 4.098 12.469 -9.065
101 HZ3 LYS 19 2HZ LYS 19 3.232 13.724 -8.314
102 H TYR 20 H TYR 20 -2.359 11.420 -5.218
103 HA TYR 20 HA TYR 20 -4.139 9.530 -4.243
104 HB2 TYR 20 2HB TYR 20 -4.536 11.946 -4.093
105 HB3 TYR 20 1HB TYR 20 -4.776 12.023 -5.838
106 HD1 TYR 20 2HD TYR 20 -6.754 11.006 -6.892
107 HD2 TYR 20 1HD TYR 20 -6.214 10.971 -2.630
108 HE1 TYR 20 2HE TYR 20 -9.137 10.389 -6.595
109 HE2 TYR 20 1HE TYR 20 -8.597 10.353 -2.334
110 HH TYR 20 HH TYR 20 -10.860 10.798 -4.231
111 H ALA 21 H ALA 21 -3.353 10.364 -7.562
112 HA ALA 21 HA ALA 21 -5.517 8.869 -8.727
113 HB1 ALA 21 1HB ALA 21 -2.943 9.848 -9.986
114 HB2 ALA 21 2HB ALA 21 -4.447 10.767 -9.895
115 HB3 ALA 21 3HB ALA 21 -4.376 9.285 -10.848
116 H GLU 22 H GLU 22 -2.052 8.304 -8.197
117 HA GLU 22 HA GLU 22 -1.892 5.802 -9.484
118 HB2 GLU 22 2HB GLU 22 -0.284 7.047 -7.253
119 HB3 GLU 22 1HB GLU 22 0.106 5.470 -7.938
120 HG2 GLU 22 2HG GLU 22 -0.239 7.933 -9.655
121 HG3 GLU 22 1HG GLU 22 1.318 7.476 -8.967
122 H LEU 23 H LEU 23 -2.555 6.658 -6.102
123 HA LEU 23 HA LEU 23 -2.697 4.046 -5.073
124 HB2 LEU 23 2HB LEU 23 -4.189 6.529 -4.190
125 HB3 LEU 23 1HB LEU 23 -3.998 5.060 -3.235
126 HG LEU 23 HG LEU 23 -1.607 6.543 -4.326
127 HD11 LEU 23 1HD1 LEU 23 -1.503 7.475 -1.910
128 HD12 LEU 23 2HD1 LEU 23 -3.223 7.092 -1.840
129 HD13 LEU 23 3HD1 LEU 23 -2.624 8.240 -3.036
130 HD21 LEU 23 3HD2 LEU 23 -0.607 5.458 -2.225
131 HD22 LEU 23 1HD2 LEU 23 -1.054 4.358 -3.527
132 HD23 LEU 23 2HD2 LEU 23 -2.101 4.528 -2.119
133 H ARG 24 H ARG 24 -5.264 6.167 -6.338
134 HA ARG 24 HA ARG 24 -7.346 4.245 -5.995
135 HB2 ARG 24 2HB ARG 24 -7.619 6.765 -6.227
136 HB3 ARG 24 1HB ARG 24 -7.337 6.544 -7.953
137 HG2 ARG 24 2HG ARG 24 -9.648 6.372 -7.910
138 HG3 ARG 24 1HG ARG 24 -9.217 4.679 -7.680
139 HD2 ARG 24 2HD ARG 24 -9.243 5.245 -5.143
140 HD3 ARG 24 1HD ARG 24 -10.140 6.682 -5.625
141 HE ARG 24 HE ARG 24 -11.206 4.208 -6.694
142 HH11 ARG 24 1HH2 ARG 24 -11.150 6.464 -4.071
143 HH12 ARG 24 2HH2 ARG 24 -12.719 6.028 -3.482
144 HH21 ARG 24 1HH1 ARG 24 -13.264 3.632 -5.929
145 HH22 ARG 24 2HH1 ARG 24 -13.917 4.426 -4.534
146 H ASP 25 H ASP 25 -5.243 5.149 -8.694
147 HA ASP 25 HA ASP 25 -6.522 3.568 -10.665
148 HB2 ASP 25 2HB ASP 25 -3.740 4.700 -10.404
149 HB3 ASP 25 1HB ASP 25 -4.237 3.749 -11.800
150 H THR 26 H THR 26 -3.697 2.954 -8.585
151 HA THR 26 HA THR 26 -2.991 0.437 -9.522
152 HB THR 26 HB THR 26 -2.922 1.328 -6.631
153 HG1 THR 26 1HG THR 26 -1.952 2.655 -8.485
154 HG21 THR 26 3HG2 THR 26 -1.219 -0.614 -8.219
155 HG22 THR 26 1HG2 THR 26 -2.419 -1.055 -7.003
156 HG23 THR 26 2HG2 THR 26 -0.966 -0.173 -6.530
157 H ILE 27 H ILE 27 -5.476 1.337 -7.167
158 HA ILE 27 HA ILE 27 -6.180 -1.366 -6.511
159 HB ILE 27 HB ILE 27 -7.679 1.236 -6.122
160 HG12 ILE 27 2HG1 ILE 27 -6.156 -0.445 -4.112
161 HG13 ILE 27 1HG1 ILE 27 -5.433 0.919 -4.963
162 HG21 ILE 27 1HG2 ILE 27 -9.314 -0.477 -6.009
163 HG22 ILE 27 2HG2 ILE 27 -8.842 -0.211 -4.331
164 HG23 ILE 27 3HG2 ILE 27 -8.206 -1.597 -5.216
165 HD11 ILE 27 3HD1 ILE 27 -6.521 1.327 -2.618
166 HD12 ILE 27 1HD1 ILE 27 -8.043 1.272 -3.506
167 HD13 ILE 27 2HD1 ILE 27 -6.828 2.482 -3.914
168 H ASN 28 H ASN 28 -7.240 0.999 -8.879
169 HA ASN 28 HA ASN 28 -9.441 -0.727 -9.759
170 HB2 ASN 28 2HB ASN 28 -8.571 2.064 -10.509
171 HB3 ASN 28 1HB ASN 28 -9.849 1.200 -11.362
172 HD21 ASN 28 1HD2 ASN 28 -8.973 1.704 -7.885
173 HD22 ASN 28 2HD2 ASN 28 -10.550 2.112 -7.406
174 H THR 29 H THR 29 -6.585 -1.477 -10.102
175 HA THR 29 HA THR 29 -6.745 -2.135 -12.941
176 HB THR 29 HB THR 29 -4.339 -1.413 -13.265
177 HG1 THR 29 1HG THR 29 -3.540 -0.986 -11.336
178 HG21 THR 29 3HG2 THR 29 -4.939 0.858 -13.801
179 HG22 THR 29 1HG2 THR 29 -6.248 0.846 -12.621
180 HG23 THR 29 2HG2 THR 29 -6.365 -0.141 -14.079
181 H SER 30 H SER 30 -4.529 -2.235 -10.139
182 HA SER 30 HA SER 30 -3.646 -4.910 -10.872
183 HB2 SER 30 2HB SER 30 -2.229 -2.986 -9.816
184 HB3 SER 30 1HB SER 30 -2.935 -3.534 -8.298
185 HG SER 30 HG SER 30 -2.231 -5.710 -9.106
186 H CYS 31 H CYS 31 -3.385 -6.384 -8.767
187 HA CYS 31 HA CYS 31 -5.681 -6.318 -7.004
188 HB2 CYS 31 2HB CYS 31 -6.474 -7.359 -9.204
189 HB3 CYS 31 1HB CYS 31 -5.412 -8.712 -8.817
190 HG CYS 31 HG CYS 31 -6.973 -8.402 -6.387
191 H ASP 32 H ASP 32 -4.986 -7.004 -5.093
192 HA ASP 32 HA ASP 32 -3.536 -9.402 -4.686
193 HB2 ASP 32 2HB ASP 32 -1.816 -7.591 -5.630
194 HB3 ASP 32 1HB ASP 32 -1.809 -7.081 -3.944
195 H ILE 33 H ILE 33 -3.203 -9.855 -2.450
196 HA ILE 33 HA ILE 33 -5.045 -8.424 -0.725
197 HB ILE 33 HB ILE 33 -3.245 -10.788 -0.137
198 HG12 ILE 33 2HG1 ILE 33 -6.214 -10.767 -0.741
199 HG13 ILE 33 1HG1 ILE 33 -4.989 -11.069 -1.974
200 HG21 ILE 33 1HG2 ILE 33 -5.085 -11.102 1.663
201 HG22 ILE 33 2HG2 ILE 33 -5.467 -9.406 1.368
202 HG23 ILE 33 3HG2 ILE 33 -3.864 -9.863 1.947
203 HD11 ILE 33 3HD1 ILE 33 -4.171 -13.008 -0.772
204 HD12 ILE 33 1HD1 ILE 33 -5.920 -13.166 -0.940
205 HD13 ILE 33 2HD1 ILE 33 -5.224 -12.656 0.599
206 H GLU 34 H GLU 34 -1.841 -8.060 -1.582
207 HA GLU 34 HA GLU 34 -1.022 -7.005 1.045
208 HB2 GLU 34 2HB GLU 34 0.715 -7.281 -1.406
209 HB3 GLU 34 1HB GLU 34 1.217 -7.142 0.279
210 HG2 GLU 34 2HG GLU 34 0.010 -9.331 0.710
211 HG3 GLU 34 1HG GLU 34 -0.175 -9.485 -1.037
212 H LEU 35 H LEU 35 -0.659 -6.047 -2.385
213 HA LEU 35 HA LEU 35 -0.025 -3.376 -1.935
214 HB2 LEU 35 2HB LEU 35 -1.274 -4.852 -4.226
215 HB3 LEU 35 1HB LEU 35 -1.201 -3.093 -4.280
216 HG LEU 35 HG LEU 35 1.203 -4.867 -3.759
217 HD11 LEU 35 1HD1 LEU 35 1.822 -4.531 -6.065
218 HD12 LEU 35 2HD1 LEU 35 0.469 -3.429 -6.322
219 HD13 LEU 35 3HD1 LEU 35 0.169 -5.146 -6.049
220 HD21 LEU 35 3HD2 LEU 35 2.184 -2.528 -4.701
221 HD22 LEU 35 1HD2 LEU 35 1.911 -2.818 -2.984
222 HD23 LEU 35 2HD2 LEU 35 0.719 -1.925 -3.929
223 H LEU 36 H LEU 36 -3.246 -4.766 -2.606
224 HA LEU 36 HA LEU 36 -4.726 -2.411 -2.409
225 HB2 LEU 36 2HB LEU 36 -5.541 -5.208 -1.578
226 HB3 LEU 36 1HB LEU 36 -6.647 -3.866 -1.871
227 HG LEU 36 HG LEU 36 -4.739 -5.030 -3.922
228 HD11 LEU 36 1HD1 LEU 36 -6.622 -6.099 -4.902
229 HD12 LEU 36 2HD1 LEU 36 -7.757 -5.179 -3.916
230 HD13 LEU 36 3HD1 LEU 36 -6.763 -6.435 -3.177
231 HD21 LEU 36 3HD2 LEU 36 -5.047 -2.829 -4.623
232 HD22 LEU 36 1HD2 LEU 36 -6.650 -2.713 -3.896
233 HD23 LEU 36 2HD2 LEU 36 -6.422 -3.614 -5.396
234 H ALA 37 H ALA 37 -3.914 -4.752 0.147
235 HA ALA 37 HA ALA 37 -5.204 -3.390 2.251
236 HB1 ALA 37 1HB ALA 37 -3.819 -4.759 3.734
237 HB2 ALA 37 2HB ALA 37 -2.765 -5.180 2.384
238 HB3 ALA 37 3HB ALA 37 -4.439 -5.736 2.404
239 H ALA 38 H ALA 38 -2.031 -3.033 0.792
240 HA ALA 38 HA ALA 38 -0.995 -1.292 2.830
241 HB1 ALA 38 1HB ALA 38 0.917 -1.084 1.458
242 HB2 ALA 38 2HB ALA 38 0.010 -1.462 -0.006
243 HB3 ALA 38 3HB ALA 38 0.345 -2.728 1.174
244 H CYS 39 H CYS 39 -2.409 -0.833 -0.392
245 HA CYS 39 HA CYS 39 -2.085 1.981 -0.486
246 HB2 CYS 39 2HB CYS 39 -2.523 0.688 -2.503
247 HB3 CYS 39 1HB CYS 39 -4.091 0.188 -1.874
248 HG CYS 39 HG CYS 39 -4.444 2.294 -3.418
249 H ARG 40 H ARG 40 -4.916 -0.031 0.332
250 HA ARG 40 HA ARG 40 -6.699 2.025 0.938
251 HB2 ARG 40 2HB ARG 40 -6.449 -0.768 2.069
252 HB3 ARG 40 1HB ARG 40 -7.807 0.304 2.419
253 HG2 ARG 40 2HG ARG 40 -8.533 0.320 0.174
254 HG3 ARG 40 1HG ARG 40 -6.981 -0.268 -0.426
255 HD2 ARG 40 2HD ARG 40 -9.026 -1.923 -0.222
256 HD3 ARG 40 1HD ARG 40 -7.406 -2.462 0.212
257 HE ARG 40 HE ARG 40 -8.890 -1.328 2.424
258 HH11 ARG 40 1HH2 ARG 40 -8.190 -4.141 0.533
259 HH12 ARG 40 2HH2 ARG 40 -8.605 -5.258 1.791
260 HH21 ARG 40 1HH1 ARG 40 -9.437 -2.788 4.076
261 HH22 ARG 40 2HH1 ARG 40 -9.310 -4.492 3.795
262 H GLU 41 H GLU 41 -4.197 0.530 2.933
263 HA GLU 41 HA GLU 41 -4.914 1.578 5.425
264 HB2 GLU 41 2HB GLU 41 -2.327 0.696 4.194
265 HB3 GLU 41 1HB GLU 41 -2.309 1.485 5.772
266 HG2 GLU 41 2HG GLU 41 -3.599 -0.206 6.774
267 HG3 GLU 41 1HG GLU 41 -4.206 -0.792 5.226
268 H GLU 42 H GLU 42 -2.639 2.939 3.022
269 HA GLU 42 HA GLU 42 -2.319 5.369 4.516
270 HB2 GLU 42 2HB GLU 42 -0.726 5.947 2.958
271 HB3 GLU 42 1HB GLU 42 -0.741 4.201 2.727
272 HG2 GLU 42 2HG GLU 42 -0.917 4.968 0.531
273 HG3 GLU 42 1HG GLU 42 -2.608 4.724 0.953
274 H PHE 43 H PHE 43 -4.434 4.256 1.977
275 HA PHE 43 HA PHE 43 -5.346 6.744 1.013
276 HB2 PHE 43 2HB PHE 43 -5.768 4.360 0.092
277 HB3 PHE 43 1HB PHE 43 -7.110 4.313 1.236
278 HD1 PHE 43 2HD PHE 43 -8.809 6.254 1.173
279 HD2 PHE 43 1HD PHE 43 -6.010 5.451 -1.984
280 HE1 PHE 43 2HE PHE 43 -10.199 7.580 -0.397
281 HE2 PHE 43 1HE PHE 43 -7.399 6.775 -3.554
282 HZ PHE 43 HZ PHE 43 -9.493 7.840 -2.760
283 H HIS 44 H HIS 44 -6.354 4.754 3.755
284 HA HIS 44 HA HIS 44 -8.682 6.188 4.442
285 HB2 HIS 44 2HB HIS 44 -6.789 4.418 5.971
286 HB3 HIS 44 1HB HIS 44 -8.100 5.255 6.803
287 HD2 HIS 44 2HD HIS 44 -7.642 1.950 5.103
288 HE1 HIS 44 1HE HIS 44 -11.723 2.865 4.533
289 HE2 HIS 44 2HE HIS 44 -9.978 1.025 4.391
290 H ARG 45 H ARG 45 -5.278 6.699 5.202
291 HA ARG 45 HA ARG 45 -5.621 8.657 7.213
292 HB2 ARG 45 2HB ARG 45 -3.358 8.165 5.268
293 HB3 ARG 45 1HB ARG 45 -3.278 9.328 6.592
294 HG2 ARG 45 2HG ARG 45 -3.648 7.567 8.227
295 HG3 ARG 45 1HG ARG 45 -3.891 6.380 6.945
296 HD2 ARG 45 2HD ARG 45 -1.627 6.137 7.740
297 HD3 ARG 45 1HD ARG 45 -1.557 6.881 6.144
298 HE ARG 45 HE ARG 45 -1.632 8.877 8.177
299 HH11 ARG 45 1HH2 ARG 45 0.387 6.496 6.685
300 HH12 ARG 45 2HH2 ARG 45 1.864 7.336 7.024
301 HH21 ARG 45 1HH1 ARG 45 0.299 9.984 8.624
302 HH22 ARG 45 2HH1 ARG 45 1.814 9.311 8.122
303 H ARG 46 H ARG 46 -5.839 8.788 3.743
304 HA ARG 46 HA ARG 46 -5.456 11.579 3.403
305 HB2 ARG 46 2HB ARG 46 -7.113 9.686 1.718
306 HB3 ARG 46 1HB ARG 46 -6.500 11.262 1.220
307 HG2 ARG 46 2HG ARG 46 -4.552 9.214 2.234
308 HG3 ARG 46 1HG ARG 46 -5.175 9.056 0.592
309 HD2 ARG 46 2HD ARG 46 -4.380 11.262 0.007
310 HD3 ARG 46 1HD ARG 46 -3.929 11.594 1.676
311 HE ARG 46 HE ARG 46 -2.605 9.269 0.611
312 HH11 ARG 46 1HH2 ARG 46 -2.620 12.725 0.796
313 HH12 ARG 46 2HH2 ARG 46 -0.915 12.884 0.530
314 HH21 ARG 46 1HH1 ARG 46 -0.368 9.471 0.262
315 HH22 ARG 46 2HH1 ARG 46 0.358 11.042 0.227
316 H LEU 47 H LEU 47 -8.371 9.593 3.849
317 HA LEU 47 HA LEU 47 -10.314 11.560 3.580
318 HB2 LEU 47 2HB LEU 47 -10.179 9.081 5.292
319 HB3 LEU 47 1HB LEU 47 -11.604 10.121 5.280
320 HG LEU 47 HG LEU 47 -11.739 9.868 2.810
321 HD11 LEU 47 1HD1 LEU 47 -10.344 7.859 1.925
322 HD12 LEU 47 2HD1 LEU 47 -9.313 8.150 3.324
323 HD13 LEU 47 3HD1 LEU 47 -9.533 9.413 2.113
324 HD21 LEU 47 3HD2 LEU 47 -12.878 8.304 4.492
325 HD22 LEU 47 1HD2 LEU 47 -11.595 7.148 4.131
326 HD23 LEU 47 2HD2 LEU 47 -12.691 7.678 2.854
327 H LYS 48 H LYS 48 -8.174 10.873 6.276
328 HA LYS 48 HA LYS 48 -9.501 12.446 8.226
329 HB2 LYS 48 2HB LYS 48 -7.665 10.707 8.598
330 HB3 LYS 48 1HB LYS 48 -6.524 11.963 8.116
331 HG2 LYS 48 2HG LYS 48 -7.288 13.414 9.914
332 HG3 LYS 48 1HG LYS 48 -8.553 12.266 10.349
333 HD2 LYS 48 2HD LYS 48 -6.692 10.562 10.731
334 HD3 LYS 48 1HD LYS 48 -5.561 11.910 10.610
335 HE2 LYS 48 2HE LYS 48 -6.628 13.040 12.480
336 HE3 LYS 48 1HE LYS 48 -7.888 11.807 12.550
337 HZ1 LYS 48 3HZ LYS 48 -6.577 10.716 13.945
338 HZ2 LYS 48 1HZ LYS 48 -5.277 11.770 13.673
339 HZ3 LYS 48 2HZ LYS 48 -5.512 10.431 12.653
340 H VAL 49 H VAL 49 -7.830 13.312 5.417
341 HA VAL 49 HA VAL 49 -6.649 15.759 6.274
342 HB VAL 49 HB VAL 49 -6.172 14.400 4.140
343 HG11 VAL 49 1HG1 VAL 49 -7.579 14.536 2.323
344 HG12 VAL 49 2HG1 VAL 49 -8.183 16.130 2.768
345 HG13 VAL 49 3HG1 VAL 49 -8.790 14.696 3.595
346 HG21 VAL 49 3HG2 VAL 49 -6.154 17.296 4.628
347 HG22 VAL 49 1HG2 VAL 49 -6.177 16.903 2.908
348 HG23 VAL 49 2HG2 VAL 49 -4.898 16.269 3.941
349 H TYR 50 H TYR 50 -7.783 17.428 4.134
350 HA TYR 50 HA TYR 50 -9.748 18.796 5.609
351 HB2 TYR 50 2HB TYR 50 -8.717 18.922 2.807
352 HB3 TYR 50 1HB TYR 50 -10.230 19.752 3.163
353 HD1 TYR 50 2HD TYR 50 -7.253 19.223 5.368
354 HD2 TYR 50 1HD TYR 50 -9.662 22.041 3.198
355 HE1 TYR 50 2HE TYR 50 -5.991 21.092 6.395
356 HE2 TYR 50 1HE TYR 50 -8.400 23.911 4.226
357 HH TYR 50 HH TYR 50 -5.653 23.292 6.406
358 H HIS 51 H HIS 51 -11.139 16.947 6.176
359 HA HIS 51 HA HIS 51 -12.643 15.450 4.365
360 HB2 HIS 51 2HB HIS 51 -14.204 15.084 6.202
361 HB3 HIS 51 1HB HIS 51 -12.548 15.024 6.808
362 HD2 HIS 51 2HD HIS 51 -15.669 17.437 6.979
363 HE1 HIS 51 1HE HIS 51 -12.794 18.770 9.768
364 HE2 HIS 51 2HE HIS 51 -15.161 19.112 8.917
Start of MODEL 20
1 H1 GLY 9 H GLY 9 6.642 -15.279 3.236
2 HA2 GLY 9 2HA GLY 9 3.967 -16.060 4.037
3 HA3 GLY 9 1HA GLY 9 5.154 -15.216 5.027
4 H THR 10 H THR 10 5.688 -13.068 3.245
5 HA THR 10 HA THR 10 3.364 -11.728 2.363
6 HB THR 10 HB THR 10 2.698 -11.584 4.669
7 HG1 THR 10 1HG THR 10 3.642 -9.116 4.772
8 HG21 THR 10 3HG2 THR 10 5.457 -10.455 5.215
9 HG22 THR 10 1HG2 THR 10 4.934 -12.088 5.630
10 HG23 THR 10 2HG2 THR 10 4.175 -10.696 6.403
11 H LYS 11 H LYS 11 3.860 -9.795 1.351
12 HA LYS 11 HA LYS 11 6.660 -8.861 1.545
13 HB2 LYS 11 2HB LYS 11 5.051 -9.379 -0.964
14 HB3 LYS 11 1HB LYS 11 6.557 -8.461 -0.937
15 HG2 LYS 11 2HG LYS 11 7.697 -10.430 0.086
16 HG3 LYS 11 1HG LYS 11 6.197 -11.344 -0.068
17 HD2 LYS 11 2HD LYS 11 6.241 -10.913 -2.532
18 HD3 LYS 11 1HD LYS 11 7.811 -10.135 -2.331
19 HE2 LYS 11 2HE LYS 11 8.626 -12.284 -1.263
20 HE3 LYS 11 1HE LYS 11 7.108 -13.026 -1.766
21 HZ1 LYS 11 3HZ LYS 11 7.804 -13.171 -3.858
22 HZ2 LYS 11 1HZ LYS 11 9.360 -12.838 -3.274
23 HZ3 LYS 11 2HZ LYS 11 8.394 -11.577 -3.877
24 H LYS 12 H LYS 12 6.450 -6.914 2.476
25 HA LYS 12 HA LYS 12 4.175 -5.196 1.867
26 HB2 LYS 12 2HB LYS 12 5.414 -3.644 3.497
27 HB3 LYS 12 1HB LYS 12 4.775 -5.152 4.151
28 HG2 LYS 12 2HG LYS 12 7.554 -5.220 3.055
29 HG3 LYS 12 1HG LYS 12 7.316 -4.374 4.584
30 HD2 LYS 12 2HD LYS 12 6.099 -7.100 4.225
31 HD3 LYS 12 1HD LYS 12 7.823 -6.967 4.573
32 HE2 LYS 12 2HE LYS 12 5.765 -5.507 6.231
33 HE3 LYS 12 1HE LYS 12 6.230 -7.169 6.592
34 HZ1 LYS 12 3HZ LYS 12 8.495 -6.497 6.843
35 HZ2 LYS 12 1HZ LYS 12 7.536 -5.491 7.814
36 HZ3 LYS 12 2HZ LYS 12 8.143 -4.913 6.337
37 H TYR 13 H TYR 13 5.046 -2.707 1.828
38 HA TYR 13 HA TYR 13 7.279 -2.395 -0.020
39 HB2 TYR 13 2HB TYR 13 4.628 -1.258 -0.872
40 HB3 TYR 13 1HB TYR 13 6.076 -1.546 -1.838
41 HD1 TYR 13 2HD TYR 13 6.708 -3.857 -2.501
42 HD2 TYR 13 1HD TYR 13 3.032 -3.009 -0.446
43 HE1 TYR 13 2HE TYR 13 5.835 -6.088 -3.142
44 HE2 TYR 13 1HE TYR 13 2.159 -5.241 -1.088
45 HH TYR 13 HH TYR 13 4.105 -7.708 -2.257
46 H ASP 14 H ASP 14 7.848 -0.141 -0.352
47 HA ASP 14 HA ASP 14 7.155 1.487 1.993
48 HB2 ASP 14 2HB ASP 14 9.093 2.898 1.157
49 HB3 ASP 14 1HB ASP 14 9.506 1.267 1.682
50 H LEU 15 H LEU 15 5.428 2.750 1.701
51 HA LEU 15 HA LEU 15 5.030 4.059 -0.918
52 HB2 LEU 15 2HB LEU 15 2.991 4.018 1.294
53 HB3 LEU 15 1HB LEU 15 2.740 4.170 -0.445
54 HG LEU 15 HG LEU 15 3.719 1.677 0.982
55 HD11 LEU 15 1HD1 LEU 15 1.555 0.765 0.586
56 HD12 LEU 15 2HD1 LEU 15 1.110 2.090 -0.488
57 HD13 LEU 15 3HD1 LEU 15 1.265 2.374 1.245
58 HD21 LEU 15 3HD2 LEU 15 4.663 1.795 -1.250
59 HD22 LEU 15 1HD2 LEU 15 3.108 2.277 -1.929
60 HD23 LEU 15 2HD2 LEU 15 3.325 0.648 -1.291
61 H SER 16 H SER 16 7.037 5.030 0.814
62 HA SER 16 HA SER 16 6.545 6.973 2.628
63 HB2 SER 16 2HB SER 16 8.801 6.519 1.911
64 HB3 SER 16 1HB SER 16 8.455 7.107 0.287
65 HG SER 16 HG SER 16 7.743 9.037 1.873
66 H LYS 17 H LYS 17 6.012 7.236 -0.855
67 HA LYS 17 HA LYS 17 4.174 9.446 -0.408
68 HB2 LYS 17 2HB LYS 17 5.286 10.935 -2.024
69 HB3 LYS 17 1HB LYS 17 6.317 10.616 -0.632
70 HG2 LYS 17 2HG LYS 17 7.898 10.098 -2.195
71 HG3 LYS 17 1HG LYS 17 7.042 8.561 -2.299
72 HD2 LYS 17 2HD LYS 17 7.112 9.219 -4.541
73 HD3 LYS 17 1HD LYS 17 5.535 9.827 -4.045
74 HE2 LYS 17 2HE LYS 17 6.522 12.052 -3.625
75 HE3 LYS 17 1HE LYS 17 8.102 11.444 -4.121
76 HZ1 LYS 17 3HZ LYS 17 7.108 12.534 -5.971
77 HZ2 LYS 17 1HZ LYS 17 5.661 11.666 -5.794
78 HZ3 LYS 17 2HZ LYS 17 7.077 10.865 -6.287
79 H TRP 18 H TRP 18 2.495 9.275 -1.749
80 HA TRP 18 HA TRP 18 2.838 7.934 -4.350
81 HB2 TRP 18 2HB TRP 18 1.130 7.050 -2.067
82 HB3 TRP 18 1HB TRP 18 0.451 6.916 -3.685
83 HD1 TRP 18 HD TRP 18 3.756 5.973 -1.891
84 HE1 TRP 18 1HE TRP 18 4.573 3.729 -2.857
85 HE3 TRP 18 3HE TRP 18 0.149 5.163 -5.416
86 HZ2 TRP 18 2HZ TRP 18 3.797 1.835 -4.856
87 HZ3 TRP 18 3HZ TRP 18 0.210 3.132 -6.833
88 HH2 TRP 18 HH TRP 18 2.028 1.467 -6.558
89 H LYS 19 H LYS 19 0.839 8.221 -5.722
90 HA LYS 19 HA LYS 19 -0.168 10.969 -5.365
91 HB2 LYS 19 2HB LYS 19 0.119 9.174 -7.775
92 HB3 LYS 19 1HB LYS 19 -0.845 10.649 -7.815
93 HG2 LYS 19 2HG LYS 19 1.355 11.226 -8.599
94 HG3 LYS 19 1HG LYS 19 1.194 11.895 -6.977
95 HD2 LYS 19 2HD LYS 19 2.577 10.244 -6.023
96 HD3 LYS 19 1HD LYS 19 2.378 9.151 -7.395
97 HE2 LYS 19 2HE LYS 19 3.737 11.841 -7.644
98 HE3 LYS 19 1HE LYS 19 4.620 10.366 -7.257
99 HZ1 LYS 19 3HZ LYS 19 3.125 9.610 -9.362
100 HZ2 LYS 19 1HZ LYS 19 4.738 10.128 -9.461
101 HZ3 LYS 19 2HZ LYS 19 3.474 11.224 -9.759
102 H TYR 20 H TYR 20 -2.355 11.443 -5.477
103 HA TYR 20 HA TYR 20 -4.156 9.620 -4.358
104 HB2 TYR 20 2HB TYR 20 -4.465 12.075 -4.338
105 HB3 TYR 20 1HB TYR 20 -4.802 12.031 -6.069
106 HD1 TYR 20 2HD TYR 20 -5.982 10.841 -2.749
107 HD2 TYR 20 1HD TYR 20 -6.935 11.362 -6.905
108 HE1 TYR 20 2HE TYR 20 -8.351 10.282 -2.276
109 HE2 TYR 20 1HE TYR 20 -9.304 10.802 -6.432
110 HH TYR 20 HH TYR 20 -10.846 10.652 -4.703
111 H ALA 21 H ALA 21 -3.317 10.256 -7.698
112 HA ALA 21 HA ALA 21 -5.534 8.758 -8.788
113 HB1 ALA 21 1HB ALA 21 -4.594 9.232 -10.917
114 HB2 ALA 21 2HB ALA 21 -2.996 9.522 -10.231
115 HB3 ALA 21 3HB ALA 21 -4.301 10.673 -9.942
116 H GLU 22 H GLU 22 -2.047 8.218 -8.349
117 HA GLU 22 HA GLU 22 -1.888 5.691 -9.553
118 HB2 GLU 22 2HB GLU 22 -0.295 6.923 -7.300
119 HB3 GLU 22 1HB GLU 22 0.114 5.377 -8.045
120 HG2 GLU 22 2HG GLU 22 -0.276 7.884 -9.685
121 HG3 GLU 22 1HG GLU 22 1.287 7.457 -8.993
122 H LEU 23 H LEU 23 -2.667 6.617 -6.221
123 HA LEU 23 HA LEU 23 -2.795 3.993 -5.167
124 HB2 LEU 23 2HB LEU 23 -4.214 6.516 -4.282
125 HB3 LEU 23 1HB LEU 23 -4.084 5.039 -3.326
126 HG LEU 23 HG LEU 23 -1.627 6.413 -4.408
127 HD11 LEU 23 1HD1 LEU 23 -2.972 6.949 -1.743
128 HD12 LEU 23 2HD1 LEU 23 -2.927 8.076 -3.099
129 HD13 LEU 23 3HD1 LEU 23 -1.433 7.620 -2.282
130 HD21 LEU 23 3HD2 LEU 23 -2.215 4.506 -2.125
131 HD22 LEU 23 1HD2 LEU 23 -0.665 5.323 -2.321
132 HD23 LEU 23 2HD2 LEU 23 -1.228 4.198 -3.554
133 H ARG 24 H ARG 24 -5.375 6.182 -6.303
134 HA ARG 24 HA ARG 24 -7.455 4.262 -5.999
135 HB2 ARG 24 2HB ARG 24 -7.714 6.791 -6.158
136 HB3 ARG 24 1HB ARG 24 -7.470 6.613 -7.896
137 HG2 ARG 24 2HG ARG 24 -9.783 6.458 -7.798
138 HG3 ARG 24 1HG ARG 24 -9.356 4.755 -7.634
139 HD2 ARG 24 2HD ARG 24 -9.296 5.301 -5.065
140 HD3 ARG 24 1HD ARG 24 -10.282 6.687 -5.524
141 HE ARG 24 HE ARG 24 -11.145 3.961 -5.402
142 HH11 ARG 24 1HH2 ARG 24 -11.483 6.950 -7.111
143 HH12 ARG 24 2HH2 ARG 24 -13.101 6.625 -7.638
144 HH21 ARG 24 1HH1 ARG 24 -13.264 3.527 -6.090
145 HH22 ARG 24 2HH1 ARG 24 -14.108 4.686 -7.060
146 H ASP 25 H ASP 25 -5.203 5.031 -8.561
147 HA ASP 25 HA ASP 25 -6.581 3.564 -10.611
148 HB2 ASP 25 2HB ASP 25 -5.043 5.373 -11.191
149 HB3 ASP 25 1HB ASP 25 -3.708 4.502 -10.435
150 H THR 26 H THR 26 -3.723 2.925 -8.580
151 HA THR 26 HA THR 26 -3.038 0.418 -9.558
152 HB THR 26 HB THR 26 -2.904 1.363 -6.684
153 HG1 THR 26 1HG THR 26 -1.471 2.660 -7.460
154 HG21 THR 26 3HG2 THR 26 -0.962 -0.241 -6.624
155 HG22 THR 26 1HG2 THR 26 -1.475 -0.829 -8.207
156 HG23 THR 26 2HG2 THR 26 -2.534 -1.020 -6.810
157 H ILE 27 H ILE 27 -5.400 1.262 -7.043
158 HA ILE 27 HA ILE 27 -6.120 -1.431 -6.442
159 HB ILE 27 HB ILE 27 -7.596 1.174 -5.994
160 HG12 ILE 27 2HG1 ILE 27 -6.071 -0.559 -4.031
161 HG13 ILE 27 1HG1 ILE 27 -5.336 0.804 -4.875
162 HG21 ILE 27 1HG2 ILE 27 -8.724 -0.319 -4.188
163 HG22 ILE 27 2HG2 ILE 27 -8.166 -1.672 -5.173
164 HG23 ILE 27 3HG2 ILE 27 -9.270 -0.481 -5.858
165 HD11 ILE 27 3HD1 ILE 27 -6.795 2.371 -3.845
166 HD12 ILE 27 1HD1 ILE 27 -6.311 1.283 -2.543
167 HD13 ILE 27 2HD1 ILE 27 -7.895 1.106 -3.297
168 H ASN 28 H ASN 28 -7.165 0.912 -8.817
169 HA ASN 28 HA ASN 28 -9.404 -0.796 -9.654
170 HB2 ASN 28 2HB ASN 28 -8.532 1.983 -10.468
171 HB3 ASN 28 1HB ASN 28 -9.867 1.117 -11.228
172 HD21 ASN 28 1HD2 ASN 28 -8.782 1.751 -7.833
173 HD22 ASN 28 2HD2 ASN 28 -10.329 2.164 -7.272
174 H THR 29 H THR 29 -6.451 -1.390 -10.037
175 HA THR 29 HA THR 29 -6.677 -2.153 -12.853
176 HB THR 29 HB THR 29 -4.318 -1.347 -13.264
177 HG1 THR 29 1HG THR 29 -3.584 -0.962 -11.240
178 HG21 THR 29 3HG2 THR 29 -6.385 -0.161 -14.054
179 HG22 THR 29 1HG2 THR 29 -5.013 0.913 -13.784
180 HG23 THR 29 2HG2 THR 29 -6.313 0.830 -12.596
181 H SER 30 H SER 30 -4.441 -2.120 -10.068
182 HA SER 30 HA SER 30 -3.410 -4.742 -10.776
183 HB2 SER 30 2HB SER 30 -2.146 -2.729 -9.659
184 HB3 SER 30 1HB SER 30 -2.832 -3.374 -8.170
185 HG SER 30 HG SER 30 -1.944 -5.447 -8.908
186 H CYS 31 H CYS 31 -3.139 -6.243 -8.708
187 HA CYS 31 HA CYS 31 -5.456 -6.294 -6.975
188 HB2 CYS 31 2HB CYS 31 -6.395 -8.356 -7.755
189 HB3 CYS 31 1HB CYS 31 -6.259 -7.290 -9.153
190 HG CYS 31 HG CYS 31 -4.054 -8.608 -9.821
191 H ASP 32 H ASP 32 -4.770 -7.009 -5.073
192 HA ASP 32 HA ASP 32 -3.249 -9.370 -4.705
193 HB2 ASP 32 2HB ASP 32 -1.568 -7.506 -5.577
194 HB3 ASP 32 1HB ASP 32 -1.623 -6.994 -3.891
195 H ILE 33 H ILE 33 -2.878 -9.838 -2.459
196 HA ILE 33 HA ILE 33 -4.830 -8.553 -0.736
197 HB ILE 33 HB ILE 33 -2.904 -10.816 -0.150
198 HG12 ILE 33 2HG1 ILE 33 -5.848 -10.968 -0.848
199 HG13 ILE 33 1HG1 ILE 33 -4.568 -11.175 -2.044
200 HG21 ILE 33 1HG2 ILE 33 -5.246 -9.600 1.313
201 HG22 ILE 33 2HG2 ILE 33 -3.641 -9.984 1.932
202 HG23 ILE 33 3HG2 ILE 33 -4.784 -11.281 1.584
203 HD11 ILE 33 3HD1 ILE 33 -3.690 -13.094 -0.887
204 HD12 ILE 33 1HD1 ILE 33 -5.430 -13.333 -1.040
205 HD13 ILE 33 2HD1 ILE 33 -4.744 -12.810 0.498
206 H GLU 34 H GLU 34 -1.670 -7.941 -1.553
207 HA GLU 34 HA GLU 34 -0.967 -6.876 1.111
208 HB2 GLU 34 2HB GLU 34 0.838 -7.160 -1.297
209 HB3 GLU 34 1HB GLU 34 1.311 -6.869 0.378
210 HG2 GLU 34 2HG GLU 34 -0.021 -9.372 -0.695
211 HG3 GLU 34 1HG GLU 34 1.656 -9.227 -0.172
212 H LEU 35 H LEU 35 -0.565 -5.945 -2.321
213 HA LEU 35 HA LEU 35 -0.034 -3.247 -1.903
214 HB2 LEU 35 2HB LEU 35 -1.299 -4.734 -4.192
215 HB3 LEU 35 1HB LEU 35 -1.092 -2.988 -4.253
216 HG LEU 35 HG LEU 35 1.162 -4.934 -3.682
217 HD11 LEU 35 1HD1 LEU 35 1.840 -4.668 -5.980
218 HD12 LEU 35 2HD1 LEU 35 0.578 -3.471 -6.270
219 HD13 LEU 35 3HD1 LEU 35 0.145 -5.156 -5.985
220 HD21 LEU 35 3HD2 LEU 35 2.355 -2.705 -4.605
221 HD22 LEU 35 1HD2 LEU 35 1.978 -2.918 -2.897
222 HD23 LEU 35 2HD2 LEU 35 0.909 -1.961 -3.923
223 H LEU 36 H LEU 36 -3.191 -4.777 -2.557
224 HA LEU 36 HA LEU 36 -4.759 -2.469 -2.426
225 HB2 LEU 36 2HB LEU 36 -5.484 -5.283 -1.569
226 HB3 LEU 36 1HB LEU 36 -6.632 -3.987 -1.899
227 HG LEU 36 HG LEU 36 -4.650 -5.119 -3.897
228 HD11 LEU 36 1HD1 LEU 36 -6.497 -6.234 -4.908
229 HD12 LEU 36 2HD1 LEU 36 -7.665 -5.346 -3.932
230 HD13 LEU 36 3HD1 LEU 36 -6.641 -6.572 -3.185
231 HD21 LEU 36 3HD2 LEU 36 -6.597 -2.836 -3.928
232 HD22 LEU 36 1HD2 LEU 36 -6.360 -3.759 -5.413
233 HD23 LEU 36 2HD2 LEU 36 -4.993 -2.947 -4.652
234 H ALA 37 H ALA 37 -3.889 -4.745 0.171
235 HA ALA 37 HA ALA 37 -5.254 -3.347 2.228
236 HB1 ALA 37 1HB ALA 37 -2.935 -5.288 2.314
237 HB2 ALA 37 2HB ALA 37 -4.642 -5.650 2.575
238 HB3 ALA 37 3HB ALA 37 -3.755 -4.677 3.750
239 H ALA 38 H ALA 38 -2.050 -3.062 0.829
240 HA ALA 38 HA ALA 38 -1.021 -1.320 2.872
241 HB1 ALA 38 1HB ALA 38 0.075 -1.460 0.077
242 HB2 ALA 38 2HB ALA 38 0.279 -2.817 1.183
243 HB3 ALA 38 3HB ALA 38 0.937 -1.235 1.599
244 H CYS 39 H CYS 39 -2.434 -0.884 -0.344
245 HA CYS 39 HA CYS 39 -2.054 1.948 -0.421
246 HB2 CYS 39 2HB CYS 39 -2.325 0.660 -2.476
247 HB3 CYS 39 1HB CYS 39 -3.940 0.159 -1.973
248 HG CYS 39 HG CYS 39 -4.365 2.229 -3.430
249 H ARG 40 H ARG 40 -4.788 -0.159 0.413
250 HA ARG 40 HA ARG 40 -6.699 1.873 0.809
251 HB2 ARG 40 2HB ARG 40 -6.427 -0.933 1.872
252 HB3 ARG 40 1HB ARG 40 -7.782 0.101 2.322
253 HG2 ARG 40 2HG ARG 40 -8.580 0.232 0.106
254 HG3 ARG 40 1HG ARG 40 -7.042 -0.302 -0.574
255 HD2 ARG 40 2HD ARG 40 -7.395 -2.540 0.068
256 HD3 ARG 40 1HD ARG 40 -8.633 -2.106 1.242
257 HE ARG 40 HE ARG 40 -9.003 -2.461 -1.617
258 HH11 ARG 40 1HH2 ARG 40 -10.177 -1.116 1.347
259 HH12 ARG 40 2HH2 ARG 40 -11.822 -1.023 0.813
260 HH21 ARG 40 1HH1 ARG 40 -11.159 -2.341 -2.323
261 HH22 ARG 40 2HH1 ARG 40 -12.379 -1.717 -1.264
262 H GLU 41 H GLU 41 -4.186 0.576 2.893
263 HA GLU 41 HA GLU 41 -5.105 1.615 5.350
264 HB2 GLU 41 2HB GLU 41 -2.429 0.775 4.284
265 HB3 GLU 41 1HB GLU 41 -2.523 1.593 5.843
266 HG2 GLU 41 2HG GLU 41 -3.876 -0.105 6.783
267 HG3 GLU 41 1HG GLU 41 -4.287 -0.771 5.204
268 H GLU 42 H GLU 42 -2.747 2.967 3.027
269 HA GLU 42 HA GLU 42 -2.477 5.434 4.441
270 HB2 GLU 42 2HB GLU 42 -1.365 6.212 2.339
271 HB3 GLU 42 1HB GLU 42 -0.698 4.706 2.973
272 HG2 GLU 42 2HG GLU 42 -2.035 3.411 1.388
273 HG3 GLU 42 1HG GLU 42 -2.791 4.885 0.786
274 H PHE 43 H PHE 43 -4.596 4.257 1.914
275 HA PHE 43 HA PHE 43 -5.589 6.691 0.939
276 HB2 PHE 43 2HB PHE 43 -6.024 4.356 0.025
277 HB3 PHE 43 1HB PHE 43 -7.232 4.181 1.299
278 HD1 PHE 43 2HD PHE 43 -9.148 5.830 1.421
279 HD2 PHE 43 1HD PHE 43 -6.476 5.629 -1.937
280 HE1 PHE 43 2HE PHE 43 -10.786 7.080 0.040
281 HE2 PHE 43 1HE PHE 43 -8.114 6.879 -3.316
282 HZ PHE 43 HZ PHE 43 -10.270 7.604 -2.327
283 H HIS 44 H HIS 44 -6.339 4.873 3.842
284 HA HIS 44 HA HIS 44 -8.722 6.224 4.554
285 HB2 HIS 44 2HB HIS 44 -7.673 4.045 5.522
286 HB3 HIS 44 1HB HIS 44 -6.784 5.137 6.583
287 HD2 HIS 44 2HD HIS 44 -9.883 7.036 6.390
288 HE1 HIS 44 1HE HIS 44 -10.854 4.035 9.196
289 HE2 HIS 44 2HE HIS 44 -11.559 6.281 8.242
290 H ARG 45 H ARG 45 -5.308 6.832 5.272
291 HA ARG 45 HA ARG 45 -5.645 8.926 7.114
292 HB2 ARG 45 2HB ARG 45 -3.409 8.585 5.100
293 HB3 ARG 45 1HB ARG 45 -3.345 9.529 6.589
294 HG2 ARG 45 2HG ARG 45 -3.754 7.471 7.904
295 HG3 ARG 45 1HG ARG 45 -3.780 6.533 6.410
296 HD2 ARG 45 2HD ARG 45 -1.472 7.134 5.936
297 HD3 ARG 45 1HD ARG 45 -1.431 8.216 7.326
298 HE ARG 45 HE ARG 45 -2.090 5.478 7.996
299 HH11 ARG 45 1HH2 ARG 45 0.404 7.808 7.423
300 HH12 ARG 45 2HH2 ARG 45 1.589 6.978 8.376
301 HH21 ARG 45 1HH1 ARG 45 -0.543 4.386 9.249
302 HH22 ARG 45 2HH1 ARG 45 1.053 5.041 9.410
303 H ARG 46 H ARG 46 -5.745 8.870 3.603
304 HA ARG 46 HA ARG 46 -5.486 11.599 3.054
305 HB2 ARG 46 2HB ARG 46 -7.334 9.683 1.614
306 HB3 ARG 46 1HB ARG 46 -6.594 11.143 0.963
307 HG2 ARG 46 2HG ARG 46 -4.957 8.822 2.011
308 HG3 ARG 46 1HG ARG 46 -5.460 8.945 0.326
309 HD2 ARG 46 2HD ARG 46 -4.385 11.246 0.288
310 HD3 ARG 46 1HD ARG 46 -3.698 10.865 1.863
311 HE ARG 46 HE ARG 46 -2.941 8.742 0.350
312 HH11 ARG 46 1HH2 ARG 46 -2.795 12.175 -0.056
313 HH12 ARG 46 2HH2 ARG 46 -1.345 12.140 -1.002
314 HH21 ARG 46 1HH1 ARG 46 -1.037 8.689 -0.888
315 HH22 ARG 46 2HH1 ARG 46 -0.350 10.167 -1.474
316 H LEU 47 H LEU 47 -8.229 9.746 4.229
317 HA LEU 47 HA LEU 47 -10.136 11.877 3.898
318 HB2 LEU 47 2HB LEU 47 -10.159 9.225 5.328
319 HB3 LEU 47 1HB LEU 47 -11.489 10.370 5.506
320 HG LEU 47 HG LEU 47 -11.898 10.361 3.119
321 HD11 LEU 47 1HD1 LEU 47 -10.506 8.701 1.718
322 HD12 LEU 47 2HD1 LEU 47 -9.347 8.744 3.048
323 HD13 LEU 47 3HD1 LEU 47 -9.730 10.222 2.163
324 HD21 LEU 47 3HD2 LEU 47 -11.435 7.500 4.017
325 HD22 LEU 47 1HD2 LEU 47 -12.608 8.060 2.825
326 HD23 LEU 47 2HD2 LEU 47 -12.812 8.481 4.525
327 H LYS 48 H LYS 48 -7.775 11.009 6.256
328 HA LYS 48 HA LYS 48 -8.974 12.350 8.490
329 HB2 LYS 48 2HB LYS 48 -7.048 10.521 8.356
330 HB3 LYS 48 1HB LYS 48 -6.013 11.945 8.303
331 HG2 LYS 48 2HG LYS 48 -8.111 11.386 10.424
332 HG3 LYS 48 1HG LYS 48 -6.372 11.170 10.628
333 HD2 LYS 48 2HD LYS 48 -6.165 13.649 9.945
334 HD3 LYS 48 1HD LYS 48 -7.903 13.744 10.235
335 HE2 LYS 48 2HE LYS 48 -7.559 12.902 12.535
336 HE3 LYS 48 1HE LYS 48 -5.820 12.843 12.246
337 HZ1 LYS 48 3HZ LYS 48 -6.175 14.880 13.286
338 HZ2 LYS 48 1HZ LYS 48 -7.580 15.211 12.397
339 HZ3 LYS 48 2HZ LYS 48 -6.061 15.285 11.640
340 H VAL 49 H VAL 49 -6.136 13.147 6.465
341 HA VAL 49 HA VAL 49 -5.556 15.654 7.404
342 HB VAL 49 HB VAL 49 -5.514 14.688 4.536
343 HG11 VAL 49 1HG1 VAL 49 -5.401 17.070 4.440
344 HG12 VAL 49 2HG1 VAL 49 -3.731 16.515 4.351
345 HG13 VAL 49 3HG1 VAL 49 -4.369 17.150 5.868
346 HG21 VAL 49 3HG2 VAL 49 -4.113 13.328 5.948
347 HG22 VAL 49 1HG2 VAL 49 -3.481 14.748 6.782
348 HG23 VAL 49 2HG2 VAL 49 -3.052 14.450 5.097
349 H TYR 50 H TYR 50 -6.629 17.501 7.563
350 HA TYR 50 HA TYR 50 -9.283 17.842 6.693
351 HB2 TYR 50 2HB TYR 50 -7.550 20.233 7.180
352 HB3 TYR 50 1HB TYR 50 -9.192 19.905 7.732
353 HD1 TYR 50 1HD TYR 50 -8.829 17.151 8.856
354 HD2 TYR 50 2HD TYR 50 -6.396 20.675 9.202
355 HE1 TYR 50 1HE TYR 50 -7.935 16.321 11.013
356 HE2 TYR 50 2HE TYR 50 -5.503 19.845 11.363
357 HH TYR 50 HH TYR 50 -5.266 17.261 12.380
358 H HIS 51 H HIS 51 -9.354 17.356 4.469
359 HA HIS 51 HA HIS 51 -7.805 18.902 2.578
360 HB2 HIS 51 2HB HIS 51 -8.525 16.519 2.197
361 HB3 HIS 51 1HB HIS 51 -10.178 17.109 2.030
362 HD2 HIS 51 2HD HIS 51 -8.314 19.834 0.402
363 HE1 HIS 51 1HE HIS 51 -8.664 16.954 -2.664
364 HE2 HIS 51 2HE HIS 51 -8.108 19.380 -2.160