NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
19310 |
2elk   |
10150 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -6.597 -11.591 -12.655
2 HA2 GLY 1 1HA GLY 1 -4.286 -13.354 -12.780
3 HA3 GLY 1 2HA GLY 1 -5.242 -13.457 -11.309
4 H SER 2 H SER 2 -5.090 -15.731 -12.577
5 HA SER 2 HA SER 2 -7.629 -15.963 -14.056
6 HB2 SER 2 1HB SER 2 -6.687 -17.756 -15.368
7 HB3 SER 2 2HB SER 2 -5.594 -16.376 -15.462
8 HG SER 2 HG SER 2 -4.914 -18.762 -14.820
9 H SER 3 H SER 3 -5.355 -17.605 -11.890
10 HA SER 3 HA SER 3 -7.177 -19.724 -11.260
11 HB2 SER 3 1HB SER 3 -4.621 -18.840 -9.900
12 HB3 SER 3 2HB SER 3 -5.502 -20.320 -9.524
13 HG SER 3 HG SER 3 -3.843 -20.760 -10.989
14 H GLY 4 H GLY 4 -6.060 -16.798 -9.582
15 HA2 GLY 4 1HA GLY 4 -6.965 -15.616 -7.835
16 HA3 GLY 4 2HA GLY 4 -8.514 -16.268 -8.348
17 H SER 5 H SER 5 -5.566 -17.557 -6.803
18 HA SER 5 HA SER 5 -6.789 -19.589 -5.372
19 HB2 SER 5 1HB SER 5 -4.352 -17.969 -4.596
20 HB3 SER 5 2HB SER 5 -4.805 -19.521 -3.893
21 HG SER 5 HG SER 5 -3.763 -20.380 -5.489
22 H SER 6 H SER 6 -7.172 -19.760 -3.044
23 HA SER 6 HA SER 6 -7.862 -17.255 -1.704
24 HB2 SER 6 1HB SER 6 -10.096 -18.091 -1.094
25 HB3 SER 6 2HB SER 6 -9.923 -17.955 -2.844
26 HG SER 6 HG SER 6 -10.565 -19.959 -2.817
27 H GLY 7 H GLY 7 -7.334 -17.280 0.393
28 HA2 GLY 7 1HA GLY 7 -7.653 -19.152 2.307
29 HA3 GLY 7 2HA GLY 7 -6.188 -19.696 1.503
30 H PHE 8 H PHE 8 -4.750 -19.323 3.130
31 HA PHE 8 HA PHE 8 -4.660 -16.682 4.366
32 HB2 PHE 8 1HB PHE 8 -2.732 -17.821 5.673
33 HB3 PHE 8 2HB PHE 8 -4.386 -18.332 5.996
34 HD1 PHE 8 HD2 PHE 8 -5.186 -20.502 5.251
35 HD2 PHE 8 HD1 PHE 8 -1.166 -19.276 4.577
36 HE1 PHE 8 HE2 PHE 8 -4.565 -22.828 4.745
37 HE2 PHE 8 HE1 PHE 8 -0.539 -21.601 4.069
38 HZ PHE 8 HZ PHE 8 -2.239 -23.380 4.154
39 H ASP 9 H ASP 9 -3.856 -15.336 2.791
40 HA ASP 9 HA ASP 9 -1.140 -15.946 1.822
41 HB2 ASP 9 1HB ASP 9 -3.353 -14.343 0.535
42 HB3 ASP 9 2HB ASP 9 -1.690 -14.332 -0.043
43 H GLU 10 H GLU 10 0.374 -14.798 2.807
44 HA GLU 10 HA GLU 10 -0.328 -12.234 4.027
45 HB2 GLU 10 1HB GLU 10 1.001 -14.216 5.147
46 HB3 GLU 10 2HB GLU 10 2.368 -13.492 4.312
47 HG2 GLU 10 1HG GLU 10 1.566 -11.296 5.421
48 HG3 GLU 10 2HG GLU 10 0.687 -12.370 6.508
49 H ASN 11 H ASN 11 -0.265 -12.117 1.286
50 HA ASN 11 HA ASN 11 1.993 -10.315 0.862
51 HB2 ASN 11 1HB ASN 11 2.714 -12.478 -0.067
52 HB3 ASN 11 2HB ASN 11 1.267 -12.529 -1.070
53 HD21 ASN 11 1HD2 ASN 11 1.475 -11.819 -3.061
54 HD22 ASN 11 2HD2 ASN 11 2.699 -10.744 -3.636
55 H TRP 12 H TRP 12 1.241 -8.444 0.145
56 HA TRP 12 HA TRP 12 -1.461 -8.148 -0.732
57 HB2 TRP 12 1HB TRP 12 0.862 -6.308 -0.331
58 HB3 TRP 12 2HB TRP 12 -0.518 -5.744 -1.269
59 HD1 TRP 12 HD1 TRP 12 -0.470 -7.802 2.026
60 HE1 TRP 12 HE1 TRP 12 -1.912 -6.554 3.754
61 HE3 TRP 12 HE3 TRP 12 -1.679 -3.683 -0.750
62 HZ2 TRP 12 HZ2 TRP 12 -3.370 -4.142 3.918
63 HZ3 TRP 12 HZ3 TRP 12 -3.102 -1.952 0.266
64 HH2 TRP 12 HH2 TRP 12 -3.929 -2.179 2.552
65 H GLY 13 H GLY 13 -1.582 -6.429 -2.749
66 HA2 GLY 13 1HA GLY 13 -0.160 -7.746 -4.979
67 HA3 GLY 13 2HA GLY 13 -1.873 -7.365 -5.066
68 H ALA 14 H ALA 14 0.322 -6.487 -6.793
69 HA ALA 14 HA ALA 14 1.317 -3.994 -6.461
70 HB1 ALA 14 3HB ALA 14 -0.010 -4.494 -9.071
71 HB2 ALA 14 1HB ALA 14 1.614 -3.902 -8.720
72 HB3 ALA 14 2HB ALA 14 1.243 -5.618 -8.547
73 H ASP 15 H ASP 15 -2.036 -4.827 -7.018
74 HA ASP 15 HA ASP 15 -2.974 -2.228 -7.625
75 HB2 ASP 15 1HB ASP 15 -4.371 -4.662 -6.506
76 HB3 ASP 15 2HB ASP 15 -5.213 -3.175 -6.936
77 H GLU 16 H GLU 16 -3.667 -4.059 -4.648
78 HA GLU 16 HA GLU 16 -4.365 -1.795 -3.143
79 HB2 GLU 16 1HB GLU 16 -4.093 -3.307 -1.167
80 HB3 GLU 16 2HB GLU 16 -5.125 -3.952 -2.436
81 HG2 GLU 16 1HG GLU 16 -2.246 -4.671 -2.475
82 HG3 GLU 16 2HG GLU 16 -3.279 -5.417 -1.257
83 H GLU 17 H GLU 17 -1.325 -2.955 -4.107
84 HA GLU 17 HA GLU 17 0.135 -1.786 -1.891
85 HB2 GLU 17 1HB GLU 17 0.887 -3.316 -4.354
86 HB3 GLU 17 2HB GLU 17 2.113 -2.389 -3.500
87 HG2 GLU 17 1HG GLU 17 1.172 -3.682 -1.417
88 HG3 GLU 17 2HG GLU 17 0.637 -4.822 -2.649
89 H LEU 18 H LEU 18 -0.741 -0.999 -5.180
90 HA LEU 18 HA LEU 18 1.042 1.259 -5.351
91 HB2 LEU 18 1HB LEU 18 0.687 0.478 -7.452
92 HB3 LEU 18 2HB LEU 18 -0.957 -0.047 -7.096
93 HG LEU 18 HG LEU 18 -1.544 2.457 -7.124
94 HD11 LEU 18 1HD1 LEU 18 -0.121 3.934 -8.264
95 HD12 LEU 18 2HD1 LEU 18 0.933 2.632 -8.814
96 HD13 LEU 18 3HD1 LEU 18 0.918 3.095 -7.112
97 HD21 LEU 18 3HD2 LEU 18 -0.742 1.642 -9.848
98 HD22 LEU 18 1HD2 LEU 18 -2.307 2.176 -9.234
99 HD23 LEU 18 2HD2 LEU 18 -1.771 0.518 -8.960
100 H LEU 19 H LEU 19 -2.443 0.766 -4.915
101 HA LEU 19 HA LEU 19 -3.196 3.464 -4.870
102 HB2 LEU 19 1HB LEU 19 -4.429 1.102 -3.462
103 HB3 LEU 19 2HB LEU 19 -5.196 2.678 -3.648
104 HG LEU 19 HG LEU 19 -4.411 0.908 -5.959
105 HD11 LEU 19 1HD1 LEU 19 -6.964 1.108 -4.398
106 HD12 LEU 19 2HD1 LEU 19 -6.062 -0.332 -4.869
107 HD13 LEU 19 3HD1 LEU 19 -6.946 0.590 -6.084
108 HD21 LEU 19 3HD2 LEU 19 -6.441 2.555 -6.756
109 HD22 LEU 19 1HD2 LEU 19 -4.726 2.832 -7.058
110 HD23 LEU 19 2HD2 LEU 19 -5.514 3.601 -5.680
111 H LEU 20 H LEU 20 -2.166 1.296 -2.268
112 HA LEU 20 HA LEU 20 -2.657 2.896 -0.071
113 HB2 LEU 20 1HB LEU 20 -1.873 0.576 0.045
114 HB3 LEU 20 2HB LEU 20 -0.287 1.087 -0.526
115 HG LEU 20 HG LEU 20 0.007 2.406 1.533
116 HD11 LEU 20 1HD1 LEU 20 -1.664 1.702 3.404
117 HD12 LEU 20 2HD1 LEU 20 -2.759 1.413 2.053
118 HD13 LEU 20 3HD1 LEU 20 -2.073 3.018 2.303
119 HD21 LEU 20 3HD2 LEU 20 -0.365 -0.524 1.491
120 HD22 LEU 20 1HD2 LEU 20 -0.226 0.228 3.080
121 HD23 LEU 20 2HD2 LEU 20 1.060 0.437 1.891
122 H ILE 21 H ILE 21 0.299 2.791 -2.054
123 HA ILE 21 HA ILE 21 1.686 4.807 -0.682
124 HB ILE 21 HB ILE 21 1.908 3.979 -3.578
125 HG12 ILE 21 1HG1 ILE 21 3.754 3.250 -1.311
126 HG13 ILE 21 2HG1 ILE 21 2.336 2.280 -1.694
127 HG21 ILE 21 1HG2 ILE 21 3.431 5.563 -3.887
128 HG22 ILE 21 2HG2 ILE 21 3.007 6.221 -2.307
129 HG23 ILE 21 3HG2 ILE 21 4.318 5.051 -2.451
130 HD11 ILE 21 3HD1 ILE 21 4.586 1.578 -2.674
131 HD12 ILE 21 1HD1 ILE 21 3.193 1.627 -3.753
132 HD13 ILE 21 2HD1 ILE 21 4.377 2.935 -3.780
133 H ASP 22 H ASP 22 0.197 5.112 -3.910
134 HA ASP 22 HA ASP 22 0.326 7.760 -4.333
135 HB2 ASP 22 1HB ASP 22 -0.963 5.832 -5.612
136 HB3 ASP 22 2HB ASP 22 -2.356 6.527 -4.789
137 H ALA 23 H ALA 23 -2.007 6.175 -2.201
138 HA ALA 23 HA ALA 23 -3.410 8.561 -1.526
139 HB1 ALA 23 3HB ALA 23 -3.705 6.674 0.555
140 HB2 ALA 23 1HB ALA 23 -4.835 7.053 -0.745
141 HB3 ALA 23 2HB ALA 23 -3.637 5.776 -0.961
142 H CYS 24 H CYS 24 -0.976 6.613 0.198
143 HA CYS 24 HA CYS 24 -0.756 8.004 2.536
144 HB2 CYS 24 1HB CYS 24 1.459 6.787 0.877
145 HB3 CYS 24 2HB CYS 24 1.661 7.326 2.539
146 HG CYS 24 HG CYS 24 -0.484 5.516 3.373
147 H GLU 25 H GLU 25 0.614 8.866 -0.599
148 HA GLU 25 HA GLU 25 1.821 11.273 0.518
149 HB2 GLU 25 1HB GLU 25 2.034 9.790 -2.054
150 HB3 GLU 25 2HB GLU 25 2.354 11.518 -2.082
151 HG2 GLU 25 1HG GLU 25 3.735 9.544 -0.281
152 HG3 GLU 25 2HG GLU 25 4.384 10.154 -1.802
153 H THR 26 H THR 26 -0.906 10.271 -1.398
154 HA THR 26 HA THR 26 -1.566 12.932 -2.290
155 HB THR 26 HB THR 26 -3.040 10.304 -2.450
156 HG1 THR 26 HG1 THR 26 -2.277 11.865 -4.654
157 HG21 THR 26 3HG2 THR 26 -3.948 13.073 -3.134
158 HG22 THR 26 1HG2 THR 26 -4.840 11.765 -2.359
159 HG23 THR 26 2HG2 THR 26 -4.505 11.700 -4.089
160 H LEU 27 H LEU 27 -3.543 10.616 -0.438
161 HA LEU 27 HA LEU 27 -5.087 12.695 0.752
162 HB2 LEU 27 1HB LEU 27 -4.880 9.791 1.534
163 HB3 LEU 27 2HB LEU 27 -6.147 10.914 2.024
164 HG LEU 27 HG LEU 27 -5.643 9.947 -0.790
165 HD11 LEU 27 1HD1 LEU 27 -6.540 8.135 0.413
166 HD12 LEU 27 2HD1 LEU 27 -7.910 8.878 -0.410
167 HD13 LEU 27 3HD1 LEU 27 -7.649 9.173 1.309
168 HD21 LEU 27 3HD2 LEU 27 -6.666 11.908 -1.249
169 HD22 LEU 27 1HD2 LEU 27 -7.353 12.055 0.368
170 HD23 LEU 27 2HD2 LEU 27 -8.115 10.997 -0.820
171 H GLY 28 H GLY 28 -2.531 10.534 1.939
172 HA2 GLY 28 1HA GLY 28 -0.875 11.475 3.461
173 HA3 GLY 28 2HA GLY 28 -2.176 12.390 4.209
174 H LEU 29 H LEU 29 -0.172 10.345 5.212
175 HA LEU 29 HA LEU 29 -1.691 8.057 5.991
176 HB2 LEU 29 1HB LEU 29 0.957 9.189 6.830
177 HB3 LEU 29 2HB LEU 29 0.258 7.787 7.637
178 HG LEU 29 HG LEU 29 0.618 7.754 4.670
179 HD11 LEU 29 1HD1 LEU 29 2.853 7.302 4.732
180 HD12 LEU 29 2HD1 LEU 29 2.809 6.740 6.402
181 HD13 LEU 29 3HD1 LEU 29 2.749 8.467 6.052
182 HD21 LEU 29 3HD2 LEU 29 0.740 5.397 4.986
183 HD22 LEU 29 1HD2 LEU 29 -0.632 5.981 5.928
184 HD23 LEU 29 2HD2 LEU 29 0.883 5.576 6.735
185 H GLY 30 H GLY 30 -1.107 11.215 7.345
186 HA2 GLY 30 1HA GLY 30 -1.591 10.973 10.003
187 HA3 GLY 30 2HA GLY 30 -2.242 12.295 9.044
188 H ASN 31 H ASN 31 -3.948 10.549 7.441
189 HA ASN 31 HA ASN 31 -5.893 9.696 9.477
190 HB2 ASN 31 1HB ASN 31 -6.290 11.982 8.216
191 HB3 ASN 31 2HB ASN 31 -6.855 10.924 6.926
192 HD21 ASN 31 1HD2 ASN 31 -8.852 12.171 7.404
193 HD22 ASN 31 2HD2 ASN 31 -9.916 11.544 8.611
194 H TRP 32 H TRP 32 -5.408 7.526 9.170
195 HA TRP 32 HA TRP 32 -5.165 6.241 6.689
196 HB2 TRP 32 1HB TRP 32 -5.983 5.176 9.397
197 HB3 TRP 32 2HB TRP 32 -5.678 4.150 7.998
198 HD1 TRP 32 HD1 TRP 32 -3.913 6.063 10.730
199 HE1 TRP 32 HE1 TRP 32 -1.379 5.645 10.566
200 HE3 TRP 32 HE3 TRP 32 -3.774 3.692 6.203
201 HZ2 TRP 32 HZ2 TRP 32 0.439 4.466 8.757
202 HZ3 TRP 32 HZ3 TRP 32 -1.597 2.951 5.327
203 HH2 TRP 32 HH2 TRP 32 0.464 3.331 6.578
204 H ALA 33 H ALA 33 -7.969 6.983 8.670
205 HA ALA 33 HA ALA 33 -9.943 5.407 7.710
206 HB1 ALA 33 3HB ALA 33 -9.811 8.083 8.806
207 HB2 ALA 33 1HB ALA 33 -11.150 7.902 7.672
208 HB3 ALA 33 2HB ALA 33 -11.014 6.818 9.057
209 H ASP 34 H ASP 34 -8.511 8.168 6.034
210 HA ASP 34 HA ASP 34 -10.288 7.999 3.790
211 HB2 ASP 34 1HB ASP 34 -8.828 10.014 4.700
212 HB3 ASP 34 2HB ASP 34 -7.634 9.351 3.588
213 H ILE 35 H ILE 35 -6.890 7.124 4.357
214 HA ILE 35 HA ILE 35 -6.255 6.174 1.834
215 HB ILE 35 HB ILE 35 -5.300 5.054 4.472
216 HG12 ILE 35 1HG1 ILE 35 -4.217 7.285 2.739
217 HG13 ILE 35 2HG1 ILE 35 -4.917 7.453 4.346
218 HG21 ILE 35 1HG2 ILE 35 -4.925 3.857 2.137
219 HG22 ILE 35 2HG2 ILE 35 -3.630 5.048 2.019
220 HG23 ILE 35 3HG2 ILE 35 -3.664 3.914 3.369
221 HD11 ILE 35 3HD1 ILE 35 -2.479 5.784 3.852
222 HD12 ILE 35 1HD1 ILE 35 -2.385 7.520 4.148
223 HD13 ILE 35 2HD1 ILE 35 -3.073 6.452 5.372
224 H ALA 36 H ALA 36 -7.916 4.545 4.486
225 HA ALA 36 HA ALA 36 -7.938 1.948 3.451
226 HB1 ALA 36 3HB ALA 36 -10.143 3.183 5.088
227 HB2 ALA 36 1HB ALA 36 -9.689 1.481 4.994
228 HB3 ALA 36 2HB ALA 36 -8.607 2.642 5.765
229 H ASP 37 H ASP 37 -10.382 4.521 3.138
230 HA ASP 37 HA ASP 37 -12.114 3.057 1.457
231 HB2 ASP 37 1HB ASP 37 -12.787 5.077 2.734
232 HB3 ASP 37 2HB ASP 37 -11.803 6.061 1.653
233 H TYR 38 H TYR 38 -9.172 4.742 0.859
234 HA TYR 38 HA TYR 38 -9.636 4.992 -1.993
235 HB2 TYR 38 1HB TYR 38 -8.341 6.694 -0.688
236 HB3 TYR 38 2HB TYR 38 -7.084 5.485 -0.448
237 HD1 TYR 38 HD1 TYR 38 -5.688 4.754 -2.319
238 HD2 TYR 38 HD2 TYR 38 -8.646 7.769 -2.829
239 HE1 TYR 38 HE1 TYR 38 -4.656 5.397 -4.457
240 HE2 TYR 38 HE2 TYR 38 -7.623 8.419 -4.969
241 HH TYR 38 HH TYR 38 -4.547 7.242 -5.968
242 H VAL 39 H VAL 39 -7.916 2.909 0.235
243 HA VAL 39 HA VAL 39 -6.577 1.465 -1.892
244 HB VAL 39 HB VAL 39 -6.689 0.944 1.081
245 HG11 VAL 39 1HG1 VAL 39 -5.108 -0.768 0.807
246 HG12 VAL 39 2HG1 VAL 39 -6.313 -1.064 -0.449
247 HG13 VAL 39 3HG1 VAL 39 -4.773 -0.309 -0.863
248 HG21 VAL 39 3HG2 VAL 39 -4.355 1.931 -0.540
249 HG22 VAL 39 1HG2 VAL 39 -5.503 3.021 0.237
250 HG23 VAL 39 2HG2 VAL 39 -4.539 1.913 1.214
251 H GLY 40 H GLY 40 -8.658 0.366 0.794
252 HA2 GLY 40 1HA GLY 40 -10.344 -1.194 0.853
253 HA3 GLY 40 2HA GLY 40 -10.531 -0.946 -0.876
254 H ASN 41 H ASN 41 -10.417 -2.810 -1.921
255 HA ASN 41 HA ASN 41 -9.819 -4.921 -2.526
256 HB2 ASN 41 1HB ASN 41 -7.075 -4.444 -1.417
257 HB3 ASN 41 2HB ASN 41 -7.549 -5.263 -2.903
258 HD21 ASN 41 1HD2 ASN 41 -6.211 -2.527 -1.665
259 HD22 ASN 41 2HD2 ASN 41 -6.464 -1.456 -2.997
260 H ALA 42 H ALA 42 -11.112 -4.879 -0.127
261 HA ALA 42 HA ALA 42 -11.605 -6.284 1.601
262 HB1 ALA 42 3HB ALA 42 -9.504 -8.151 1.672
263 HB2 ALA 42 1HB ALA 42 -11.126 -8.368 1.012
264 HB3 ALA 42 2HB ALA 42 -9.816 -7.812 -0.031
265 H ARG 43 H ARG 43 -9.761 -3.973 1.802
266 HA ARG 43 HA ARG 43 -8.373 -4.760 4.280
267 HB2 ARG 43 1HB ARG 43 -7.541 -2.494 2.470
268 HB3 ARG 43 2HB ARG 43 -6.648 -3.170 3.826
269 HG2 ARG 43 1HG ARG 43 -7.285 -4.671 1.296
270 HG3 ARG 43 2HG ARG 43 -5.766 -3.829 1.608
271 HD2 ARG 43 1HD ARG 43 -5.221 -5.283 3.395
272 HD3 ARG 43 2HD ARG 43 -6.850 -5.957 3.436
273 HE ARG 43 HE ARG 43 -5.847 -6.499 0.920
274 HH11 ARG 43 1HH1 ARG 43 -5.029 -7.260 4.216
275 HH12 ARG 43 2HH1 ARG 43 -4.306 -8.785 3.822
276 HH21 ARG 43 1HH2 ARG 43 -4.900 -8.504 0.388
277 HH22 ARG 43 2HH2 ARG 43 -4.233 -9.491 1.644
278 H THR 44 H THR 44 -7.780 -2.460 5.431
279 HA THR 44 HA THR 44 -9.832 -0.487 5.341
280 HB THR 44 HB THR 44 -11.131 -2.257 6.441
281 HG1 THR 44 HG1 THR 44 -10.372 -0.135 8.192
282 HG21 THR 44 3HG2 THR 44 -10.397 -3.509 8.165
283 HG22 THR 44 1HG2 THR 44 -9.599 -2.145 8.947
284 HG23 THR 44 2HG2 THR 44 -8.797 -2.998 7.628
285 H LYS 45 H LYS 45 -9.543 1.184 6.978
286 HA LYS 45 HA LYS 45 -7.033 2.131 7.279
287 HB2 LYS 45 1HB LYS 45 -7.827 3.516 9.103
288 HB3 LYS 45 2HB LYS 45 -9.086 3.370 7.884
289 HG2 LYS 45 1HG LYS 45 -10.029 1.493 9.330
290 HG3 LYS 45 2HG LYS 45 -8.946 2.088 10.590
291 HD2 LYS 45 1HD LYS 45 -10.056 4.127 10.752
292 HD3 LYS 45 2HD LYS 45 -10.799 3.959 9.160
293 HE2 LYS 45 1HE LYS 45 -12.273 2.241 9.973
294 HE3 LYS 45 2HE LYS 45 -11.450 2.215 11.532
295 HZ1 LYS 45 3HZ LYS 45 -12.389 4.826 10.842
296 HZ2 LYS 45 1HZ LYS 45 -12.652 3.924 12.249
297 HZ3 LYS 45 2HZ LYS 45 -13.649 3.698 10.901
298 H GLU 46 H GLU 46 -8.684 -0.009 9.582
299 HA GLU 46 HA GLU 46 -6.656 -0.116 11.507
300 HB2 GLU 46 1HB GLU 46 -8.697 -2.216 10.754
301 HB3 GLU 46 2HB GLU 46 -7.713 -2.252 12.211
302 HG2 GLU 46 1HG GLU 46 -8.740 -0.186 12.977
303 HG3 GLU 46 2HG GLU 46 -9.705 -0.110 11.504
304 H GLU 47 H GLU 47 -7.118 -1.910 8.523
305 HA GLU 47 HA GLU 47 -4.833 -3.623 9.065
306 HB2 GLU 47 1HB GLU 47 -6.852 -3.460 6.844
307 HB3 GLU 47 2HB GLU 47 -5.391 -4.422 6.668
308 HG2 GLU 47 1HG GLU 47 -7.657 -4.799 8.589
309 HG3 GLU 47 2HG GLU 47 -7.029 -5.923 7.386
310 H CYS 48 H CYS 48 -5.748 -1.585 6.281
311 HA CYS 48 HA CYS 48 -3.402 -1.419 4.960
312 HB2 CYS 48 1HB CYS 48 -5.431 0.748 5.484
313 HB3 CYS 48 2HB CYS 48 -4.063 0.991 4.405
314 HG CYS 48 HG CYS 48 -6.717 0.293 3.232
315 H ARG 49 H ARG 49 -4.183 0.187 7.975
316 HA ARG 49 HA ARG 49 -2.024 1.978 8.078
317 HB2 ARG 49 1HB ARG 49 -3.788 2.314 9.620
318 HB3 ARG 49 2HB ARG 49 -3.686 0.663 10.216
319 HG2 ARG 49 1HG ARG 49 -1.796 1.101 11.485
320 HG3 ARG 49 2HG ARG 49 -1.385 2.542 10.552
321 HD2 ARG 49 1HD ARG 49 -3.023 3.830 11.592
322 HD3 ARG 49 2HD ARG 49 -3.923 2.415 12.137
323 HE ARG 49 HE ARG 49 -1.531 2.234 13.432
324 HH11 ARG 49 1HH1 ARG 49 -4.006 4.669 13.177
325 HH12 ARG 49 2HH1 ARG 49 -3.711 5.319 14.756
326 HH21 ARG 49 1HH2 ARG 49 -1.134 3.081 15.512
327 HH22 ARG 49 2HH2 ARG 49 -2.077 4.416 16.083
328 H ASP 50 H ASP 50 -2.300 -0.921 10.123
329 HA ASP 50 HA ASP 50 0.395 -1.097 10.766
330 HB2 ASP 50 1HB ASP 50 -1.890 -3.015 10.797
331 HB3 ASP 50 2HB ASP 50 -0.265 -3.657 11.020
332 H HIS 51 H HIS 51 -1.384 -2.601 8.101
333 HA HIS 51 HA HIS 51 0.467 -4.314 7.061
334 HB2 HIS 51 1HB HIS 51 -1.611 -4.248 5.970
335 HB3 HIS 51 2HB HIS 51 -1.524 -2.508 5.715
336 HD1 HIS 51 HD1 HIS 51 0.256 -5.647 4.518
337 HD2 HIS 51 HD2 HIS 51 -0.699 -1.815 3.229
338 HE1 HIS 51 HE1 HIS 51 1.016 -5.534 2.123
339 HE2 HIS 51 HE2 HIS 51 0.505 -3.179 1.391
340 H TYR 52 H TYR 52 0.322 -0.807 6.564
341 HA TYR 52 HA TYR 52 2.653 -0.776 4.886
342 HB2 TYR 52 1HB TYR 52 0.852 0.902 4.659
343 HB3 TYR 52 2HB TYR 52 1.235 1.515 6.264
344 HD1 TYR 52 HD2 TYR 52 3.836 2.129 6.553
345 HD2 TYR 52 HD1 TYR 52 1.716 2.057 2.865
346 HE1 TYR 52 HE2 TYR 52 5.494 3.662 5.577
347 HE2 TYR 52 HE1 TYR 52 3.368 3.589 1.878
348 HH TYR 52 HH TYR 52 6.339 4.217 3.248
349 H LEU 53 H LEU 53 1.965 -0.330 8.283
350 HA LEU 53 HA LEU 53 4.553 0.744 8.921
351 HB2 LEU 53 1HB LEU 53 2.305 -0.329 10.610
352 HB3 LEU 53 2HB LEU 53 3.811 0.287 11.287
353 HG LEU 53 HG LEU 53 2.022 1.962 9.543
354 HD11 LEU 53 1HD1 LEU 53 1.731 1.207 12.379
355 HD12 LEU 53 2HD1 LEU 53 0.520 1.735 11.211
356 HD13 LEU 53 3HD1 LEU 53 1.556 2.922 12.004
357 HD21 LEU 53 3HD2 LEU 53 3.554 3.292 11.593
358 HD22 LEU 53 1HD2 LEU 53 3.539 3.557 9.849
359 HD23 LEU 53 2HD2 LEU 53 4.596 2.329 10.545
360 H LYS 54 H LYS 54 3.401 -2.325 8.202
361 HA LYS 54 HA LYS 54 5.567 -3.625 9.715
362 HB2 LYS 54 1HB LYS 54 4.331 -5.611 9.735
363 HB3 LYS 54 2HB LYS 54 3.115 -4.366 9.992
364 HG2 LYS 54 1HG LYS 54 2.319 -4.544 7.781
365 HG3 LYS 54 2HG LYS 54 3.718 -5.494 7.275
366 HD2 LYS 54 1HD LYS 54 2.050 -7.097 7.507
367 HD3 LYS 54 2HD LYS 54 2.914 -7.197 9.043
368 HE2 LYS 54 1HE LYS 54 0.596 -5.340 8.823
369 HE3 LYS 54 2HE LYS 54 0.281 -7.070 8.950
370 HZ1 LYS 54 3HZ LYS 54 1.547 -5.271 10.907
371 HZ2 LYS 54 1HZ LYS 54 1.899 -6.926 10.934
372 HZ3 LYS 54 2HZ LYS 54 0.305 -6.397 11.137
373 H THR 55 H THR 55 4.323 -2.942 6.559
374 HA THR 55 HA THR 55 6.105 -4.829 5.249
375 HB THR 55 HB THR 55 4.232 -2.781 4.048
376 HG1 THR 55 HG1 THR 55 3.139 -4.918 3.528
377 HG21 THR 55 3HG2 THR 55 4.766 -3.549 1.962
378 HG22 THR 55 1HG2 THR 55 5.224 -5.148 2.547
379 HG23 THR 55 2HG2 THR 55 6.323 -3.785 2.755
380 H TYR 56 H TYR 56 5.682 -1.315 5.503
381 HA TYR 56 HA TYR 56 8.061 -0.777 3.967
382 HB2 TYR 56 1HB TYR 56 6.218 1.014 5.556
383 HB3 TYR 56 2HB TYR 56 7.606 1.603 4.649
384 HD1 TYR 56 HD1 TYR 56 4.651 -0.622 4.067
385 HD2 TYR 56 HD2 TYR 56 7.159 2.471 2.566
386 HE1 TYR 56 HE1 TYR 56 3.261 -0.485 2.042
387 HE2 TYR 56 HE2 TYR 56 5.775 2.617 0.538
388 HH TYR 56 HH TYR 56 4.215 1.359 -0.721
389 H ILE 57 H ILE 57 7.137 0.126 7.294
390 HA ILE 57 HA ILE 57 9.774 0.702 8.112
391 HB ILE 57 HB ILE 57 7.394 -0.027 9.824
392 HG12 ILE 57 1HG1 ILE 57 7.042 1.929 8.325
393 HG13 ILE 57 2HG1 ILE 57 7.022 2.359 10.032
394 HG21 ILE 57 1HG2 ILE 57 9.568 1.718 10.818
395 HG22 ILE 57 2HG2 ILE 57 8.565 0.551 11.679
396 HG23 ILE 57 3HG2 ILE 57 9.915 -0.006 10.690
397 HD11 ILE 57 3HD1 ILE 57 8.656 3.815 9.733
398 HD12 ILE 57 1HD1 ILE 57 9.681 2.590 8.984
399 HD13 ILE 57 2HD1 ILE 57 8.543 3.512 8.000
400 H GLU 58 H GLU 58 7.705 -1.988 9.224
401 HA GLU 58 HA GLU 58 9.957 -3.460 10.201
402 HB2 GLU 58 1HB GLU 58 7.441 -3.483 10.965
403 HB3 GLU 58 2HB GLU 58 7.288 -4.726 9.731
404 HG2 GLU 58 1HG GLU 58 9.009 -4.768 12.191
405 HG3 GLU 58 2HG GLU 58 7.660 -5.828 11.787
Start of MODEL 2
1 H1 GLY 1 H GLY 1 14.208 3.376 -2.066
2 HA2 GLY 1 1HA GLY 1 11.709 3.394 -3.530
3 HA3 GLY 1 2HA GLY 1 13.026 2.246 -3.722
4 H SER 2 H SER 2 11.392 0.593 -3.810
5 HA SER 2 HA SER 2 10.331 -0.101 -1.149
6 HB2 SER 2 1HB SER 2 8.531 -1.338 -2.361
7 HB3 SER 2 2HB SER 2 8.498 0.401 -2.653
8 HG SER 2 HG SER 2 8.698 -0.041 -4.686
9 H SER 3 H SER 3 9.988 -2.482 -0.853
10 HA SER 3 HA SER 3 12.200 -3.976 -2.105
11 HB2 SER 3 1HB SER 3 11.045 -4.266 0.679
12 HB3 SER 3 2HB SER 3 12.298 -5.300 -0.008
13 HG SER 3 HG SER 3 12.441 -2.546 0.620
14 H GLY 4 H GLY 4 11.683 -5.734 -3.235
15 HA2 GLY 4 1HA GLY 4 9.016 -6.475 -3.730
16 HA3 GLY 4 2HA GLY 4 10.434 -7.410 -4.182
17 H SER 5 H SER 5 7.818 -8.293 -3.163
18 HA SER 5 HA SER 5 8.758 -10.260 -1.335
19 HB2 SER 5 1HB SER 5 8.552 -8.421 0.268
20 HB3 SER 5 2HB SER 5 6.884 -8.148 -0.238
21 HG SER 5 HG SER 5 7.480 -9.584 1.714
22 H SER 6 H SER 6 7.691 -12.020 -1.914
23 HA SER 6 HA SER 6 4.837 -11.797 -2.587
24 HB2 SER 6 1HB SER 6 5.860 -11.987 -4.719
25 HB3 SER 6 2HB SER 6 6.998 -13.209 -4.150
26 HG SER 6 HG SER 6 4.191 -13.514 -4.447
27 H GLY 7 H GLY 7 3.548 -13.334 -1.728
28 HA2 GLY 7 1HA GLY 7 4.596 -15.880 -0.858
29 HA3 GLY 7 2HA GLY 7 4.175 -14.800 0.463
30 H PHE 8 H PHE 8 2.715 -16.698 0.896
31 HA PHE 8 HA PHE 8 0.323 -16.732 -0.782
32 HB2 PHE 8 1HB PHE 8 0.885 -18.453 1.634
33 HB3 PHE 8 2HB PHE 8 -0.297 -18.739 0.361
34 HD1 PHE 8 HD2 PHE 8 1.031 -18.530 -2.096
35 HD2 PHE 8 HD1 PHE 8 2.578 -19.987 1.591
36 HE1 PHE 8 HE2 PHE 8 2.681 -19.878 -3.325
37 HE2 PHE 8 HE1 PHE 8 4.232 -21.337 0.368
38 HZ PHE 8 HZ PHE 8 4.284 -21.284 -2.094
39 H ASP 9 H ASP 9 1.404 -15.847 2.431
40 HA ASP 9 HA ASP 9 -1.309 -14.891 3.060
41 HB2 ASP 9 1HB ASP 9 0.978 -15.778 4.802
42 HB3 ASP 9 2HB ASP 9 -0.315 -14.769 5.445
43 H GLU 10 H GLU 10 -1.385 -12.876 4.390
44 HA GLU 10 HA GLU 10 -1.146 -10.583 4.150
45 HB2 GLU 10 1HB GLU 10 0.702 -9.807 5.438
46 HB3 GLU 10 2HB GLU 10 0.212 -11.348 6.127
47 HG2 GLU 10 1HG GLU 10 2.040 -12.382 4.684
48 HG3 GLU 10 2HG GLU 10 2.619 -10.733 4.453
49 H ASN 11 H ASN 11 -0.693 -11.835 1.655
50 HA ASN 11 HA ASN 11 1.586 -10.345 0.552
51 HB2 ASN 11 1HB ASN 11 1.413 -11.809 -1.392
52 HB3 ASN 11 2HB ASN 11 1.523 -12.769 0.080
53 HD21 ASN 11 1HD2 ASN 11 -0.233 -12.150 -2.727
54 HD22 ASN 11 2HD2 ASN 11 -1.606 -13.141 -2.386
55 H TRP 12 H TRP 12 0.778 -8.307 0.270
56 HA TRP 12 HA TRP 12 -1.806 -7.781 -0.813
57 HB2 TRP 12 1HB TRP 12 0.594 -6.134 -0.130
58 HB3 TRP 12 2HB TRP 12 -0.654 -5.429 -1.154
59 HD1 TRP 12 HD1 TRP 12 -1.067 -7.637 2.014
60 HE1 TRP 12 HE1 TRP 12 -2.557 -6.358 3.677
61 HE3 TRP 12 HE3 TRP 12 -1.680 -3.297 -0.618
62 HZ2 TRP 12 HZ2 TRP 12 -3.826 -3.842 3.850
63 HZ3 TRP 12 HZ3 TRP 12 -3.047 -1.504 0.366
64 HH2 TRP 12 HH2 TRP 12 -4.098 -1.773 2.554
65 H GLY 13 H GLY 13 -2.399 -7.129 -2.868
66 HA2 GLY 13 1HA GLY 13 -0.685 -8.087 -4.996
67 HA3 GLY 13 2HA GLY 13 -2.332 -7.497 -5.164
68 H ALA 14 H ALA 14 -0.032 -6.880 -6.816
69 HA ALA 14 HA ALA 14 1.290 -4.551 -6.422
70 HB1 ALA 14 3HB ALA 14 1.574 -5.808 -8.448
71 HB2 ALA 14 1HB ALA 14 -0.076 -5.446 -8.956
72 HB3 ALA 14 2HB ALA 14 1.123 -4.155 -8.868
73 H ASP 15 H ASP 15 -2.113 -4.874 -7.318
74 HA ASP 15 HA ASP 15 -2.634 -2.140 -7.745
75 HB2 ASP 15 1HB ASP 15 -4.477 -4.376 -6.879
76 HB3 ASP 15 2HB ASP 15 -5.022 -2.774 -7.368
77 H GLU 16 H GLU 16 -3.815 -4.050 -4.978
78 HA GLU 16 HA GLU 16 -4.420 -1.887 -3.346
79 HB2 GLU 16 1HB GLU 16 -4.477 -3.460 -1.503
80 HB3 GLU 16 2HB GLU 16 -5.173 -4.204 -2.935
81 HG2 GLU 16 1HG GLU 16 -3.086 -5.406 -3.330
82 HG3 GLU 16 2HG GLU 16 -2.385 -4.659 -1.896
83 H GLU 17 H GLU 17 -1.377 -3.074 -4.261
84 HA GLU 17 HA GLU 17 0.019 -2.079 -1.919
85 HB2 GLU 17 1HB GLU 17 0.877 -3.443 -4.456
86 HB3 GLU 17 2HB GLU 17 2.058 -2.681 -3.400
87 HG2 GLU 17 1HG GLU 17 1.000 -4.106 -1.540
88 HG3 GLU 17 2HG GLU 17 0.302 -5.040 -2.862
89 H LEU 18 H LEU 18 -0.643 -1.112 -5.218
90 HA LEU 18 HA LEU 18 1.210 1.078 -5.218
91 HB2 LEU 18 1HB LEU 18 0.837 0.449 -7.365
92 HB3 LEU 18 2HB LEU 18 -0.832 -0.023 -7.051
93 HG LEU 18 HG LEU 18 -1.321 2.492 -6.940
94 HD11 LEU 18 1HD1 LEU 18 0.369 3.653 -8.580
95 HD12 LEU 18 2HD1 LEU 18 1.489 2.461 -7.920
96 HD13 LEU 18 3HD1 LEU 18 0.679 3.600 -6.844
97 HD21 LEU 18 3HD2 LEU 18 -0.488 1.838 -9.696
98 HD22 LEU 18 1HD2 LEU 18 -2.050 2.372 -9.075
99 HD23 LEU 18 2HD2 LEU 18 -1.566 0.684 -8.908
100 H LEU 19 H LEU 19 -2.336 0.819 -5.022
101 HA LEU 19 HA LEU 19 -3.017 3.467 -4.825
102 HB2 LEU 19 1HB LEU 19 -4.162 1.024 -3.516
103 HB3 LEU 19 2HB LEU 19 -4.869 2.617 -3.256
104 HG LEU 19 HG LEU 19 -5.873 1.050 -5.058
105 HD11 LEU 19 1HD1 LEU 19 -5.732 3.838 -4.739
106 HD12 LEU 19 2HD1 LEU 19 -6.960 2.905 -5.593
107 HD13 LEU 19 3HD1 LEU 19 -5.557 3.522 -6.466
108 HD21 LEU 19 3HD2 LEU 19 -4.836 1.491 -7.303
109 HD22 LEU 19 1HD2 LEU 19 -3.909 0.428 -6.244
110 HD23 LEU 19 2HD2 LEU 19 -3.422 2.111 -6.450
111 H LEU 20 H LEU 20 -2.143 1.316 -2.123
112 HA LEU 20 HA LEU 20 -2.407 2.936 0.026
113 HB2 LEU 20 1HB LEU 20 -1.524 0.610 0.028
114 HB3 LEU 20 2HB LEU 20 0.035 1.246 -0.492
115 HG LEU 20 HG LEU 20 0.290 2.433 1.601
116 HD11 LEU 20 1HD1 LEU 20 -2.433 1.332 2.275
117 HD12 LEU 20 2HD1 LEU 20 -2.005 3.027 2.042
118 HD13 LEU 20 3HD1 LEU 20 -1.354 2.134 3.416
119 HD21 LEU 20 3HD2 LEU 20 0.169 -0.389 1.322
120 HD22 LEU 20 1HD2 LEU 20 -0.405 0.029 2.937
121 HD23 LEU 20 2HD2 LEU 20 1.186 0.570 2.400
122 H ILE 21 H ILE 21 0.436 2.894 -2.117
123 HA ILE 21 HA ILE 21 1.845 4.953 -0.833
124 HB ILE 21 HB ILE 21 1.930 4.138 -3.740
125 HG12 ILE 21 1HG1 ILE 21 3.856 3.391 -1.542
126 HG13 ILE 21 2HG1 ILE 21 2.459 2.400 -1.945
127 HG21 ILE 21 1HG2 ILE 21 3.090 6.364 -2.468
128 HG22 ILE 21 2HG2 ILE 21 4.389 5.206 -2.749
129 HG23 ILE 21 3HG2 ILE 21 3.398 5.763 -4.097
130 HD11 ILE 21 3HD1 ILE 21 4.870 2.007 -2.993
131 HD12 ILE 21 1HD1 ILE 21 3.379 1.648 -3.863
132 HD13 ILE 21 2HD1 ILE 21 4.241 3.155 -4.174
133 H ASP 22 H ASP 22 0.120 5.182 -3.950
134 HA ASP 22 HA ASP 22 0.173 7.839 -4.401
135 HB2 ASP 22 1HB ASP 22 -1.104 5.903 -5.633
136 HB3 ASP 22 2HB ASP 22 -2.478 6.475 -4.692
137 H ALA 23 H ALA 23 -2.010 6.202 -2.147
138 HA ALA 23 HA ALA 23 -3.415 8.565 -1.395
139 HB1 ALA 23 3HB ALA 23 -4.771 6.944 -0.696
140 HB2 ALA 23 1HB ALA 23 -3.474 5.749 -0.718
141 HB3 ALA 23 2HB ALA 23 -3.704 6.775 0.698
142 H CYS 24 H CYS 24 -0.734 6.733 0.026
143 HA CYS 24 HA CYS 24 -0.453 8.058 2.429
144 HB2 CYS 24 1HB CYS 24 0.938 6.208 2.174
145 HB3 CYS 24 2HB CYS 24 1.506 6.727 0.591
146 HG CYS 24 HG CYS 24 3.658 7.854 1.414
147 H GLU 25 H GLU 25 0.699 9.012 -0.768
148 HA GLU 25 HA GLU 25 1.881 11.446 0.318
149 HB2 GLU 25 1HB GLU 25 1.990 10.025 -2.302
150 HB3 GLU 25 2HB GLU 25 2.292 11.756 -2.284
151 HG2 GLU 25 1HG GLU 25 4.133 11.483 -0.777
152 HG3 GLU 25 2HG GLU 25 3.771 9.769 -0.579
153 H THR 26 H THR 26 -0.895 10.373 -1.495
154 HA THR 26 HA THR 26 -1.698 13.000 -2.335
155 HB THR 26 HB THR 26 -3.118 10.338 -2.352
156 HG1 THR 26 HG1 THR 26 -2.877 10.730 -4.663
157 HG21 THR 26 3HG2 THR 26 -4.933 11.363 -3.554
158 HG22 THR 26 1HG2 THR 26 -4.127 12.931 -3.521
159 HG23 THR 26 2HG2 THR 26 -4.725 12.216 -2.024
160 H LEU 27 H LEU 27 -3.484 10.667 -0.319
161 HA LEU 27 HA LEU 27 -4.978 12.737 0.956
162 HB2 LEU 27 1HB LEU 27 -4.692 9.847 1.760
163 HB3 LEU 27 2HB LEU 27 -5.953 10.961 2.283
164 HG LEU 27 HG LEU 27 -5.561 9.970 -0.541
165 HD11 LEU 27 1HD1 LEU 27 -6.888 8.243 -0.087
166 HD12 LEU 27 2HD1 LEU 27 -8.022 9.250 0.811
167 HD13 LEU 27 3HD1 LEU 27 -6.599 8.592 1.618
168 HD21 LEU 27 3HD2 LEU 27 -7.845 11.535 0.651
169 HD22 LEU 27 1HD2 LEU 27 -7.639 11.057 -1.034
170 HD23 LEU 27 2HD2 LEU 27 -6.550 12.244 -0.314
171 H GLY 28 H GLY 28 -2.310 10.625 1.961
172 HA2 GLY 28 1HA GLY 28 -0.569 11.468 3.388
173 HA3 GLY 28 2HA GLY 28 -1.751 12.535 4.131
174 H LEU 29 H LEU 29 0.007 9.769 4.559
175 HA LEU 29 HA LEU 29 -1.568 7.885 5.735
176 HB2 LEU 29 1HB LEU 29 1.127 8.888 6.625
177 HB3 LEU 29 2HB LEU 29 0.365 7.435 7.268
178 HG LEU 29 HG LEU 29 1.094 7.833 4.368
179 HD11 LEU 29 1HD1 LEU 29 3.016 7.747 6.049
180 HD12 LEU 29 2HD1 LEU 29 3.043 6.591 4.718
181 HD13 LEU 29 3HD1 LEU 29 2.534 6.073 6.325
182 HD21 LEU 29 3HD2 LEU 29 0.811 5.127 5.377
183 HD22 LEU 29 1HD2 LEU 29 0.092 5.887 3.957
184 HD23 LEU 29 2HD2 LEU 29 -0.677 6.061 5.535
185 H GLY 30 H GLY 30 -0.940 11.081 6.880
186 HA2 GLY 30 1HA GLY 30 -1.285 10.998 9.578
187 HA3 GLY 30 2HA GLY 30 -1.981 12.259 8.570
188 H ASN 31 H ASN 31 -3.791 10.527 7.148
189 HA ASN 31 HA ASN 31 -5.624 9.746 9.316
190 HB2 ASN 31 1HB ASN 31 -6.064 11.977 7.956
191 HB3 ASN 31 2HB ASN 31 -6.724 10.856 6.770
192 HD21 ASN 31 1HD2 ASN 31 -8.576 9.697 7.252
193 HD22 ASN 31 2HD2 ASN 31 -9.603 10.108 8.580
194 H TRP 32 H TRP 32 -5.391 7.565 9.145
195 HA TRP 32 HA TRP 32 -5.201 6.158 6.695
196 HB2 TRP 32 1HB TRP 32 -5.933 5.224 9.476
197 HB3 TRP 32 2HB TRP 32 -5.669 4.141 8.112
198 HD1 TRP 32 HD1 TRP 32 -3.835 6.076 10.760
199 HE1 TRP 32 HE1 TRP 32 -1.304 5.670 10.529
200 HE3 TRP 32 HE3 TRP 32 -3.802 3.711 6.228
201 HZ2 TRP 32 HZ2 TRP 32 0.472 4.503 8.671
202 HZ3 TRP 32 HZ3 TRP 32 -1.646 2.982 5.293
203 HH2 TRP 32 HH2 TRP 32 0.446 3.371 6.491
204 H ALA 33 H ALA 33 -7.901 6.851 8.874
205 HA ALA 33 HA ALA 33 -9.918 5.314 7.966
206 HB1 ALA 33 3HB ALA 33 -10.078 8.273 8.523
207 HB2 ALA 33 1HB ALA 33 -11.462 7.184 8.424
208 HB3 ALA 33 2HB ALA 33 -10.257 6.966 9.694
209 H ASP 34 H ASP 34 -8.529 8.071 6.273
210 HA ASP 34 HA ASP 34 -10.456 7.981 4.137
211 HB2 ASP 34 1HB ASP 34 -8.024 9.589 4.763
212 HB3 ASP 34 2HB ASP 34 -8.551 9.511 3.084
213 H ILE 35 H ILE 35 -7.039 7.090 4.517
214 HA ILE 35 HA ILE 35 -6.531 6.227 1.928
215 HB ILE 35 HB ILE 35 -5.423 5.076 4.491
216 HG12 ILE 35 1HG1 ILE 35 -4.029 7.057 2.719
217 HG13 ILE 35 2HG1 ILE 35 -5.197 7.615 3.913
218 HG21 ILE 35 1HG2 ILE 35 -5.172 4.057 1.949
219 HG22 ILE 35 2HG2 ILE 35 -3.721 5.041 2.130
220 HG23 ILE 35 3HG2 ILE 35 -4.070 3.764 3.294
221 HD11 ILE 35 3HD1 ILE 35 -2.461 6.766 4.257
222 HD12 ILE 35 1HD1 ILE 35 -3.519 7.649 5.357
223 HD13 ILE 35 2HD1 ILE 35 -3.558 5.886 5.321
224 H ALA 36 H ALA 36 -8.089 4.549 4.600
225 HA ALA 36 HA ALA 36 -8.113 1.952 3.645
226 HB1 ALA 36 3HB ALA 36 -10.444 3.217 5.065
227 HB2 ALA 36 1HB ALA 36 -9.919 1.534 5.114
228 HB3 ALA 36 2HB ALA 36 -8.940 2.786 5.880
229 H ASP 37 H ASP 37 -10.521 4.510 3.058
230 HA ASP 37 HA ASP 37 -12.083 2.930 1.280
231 HB2 ASP 37 1HB ASP 37 -12.653 5.134 2.634
232 HB3 ASP 37 2HB ASP 37 -12.132 5.912 1.142
233 H TYR 38 H TYR 38 -9.183 4.703 0.931
234 HA TYR 38 HA TYR 38 -9.460 5.144 -1.913
235 HB2 TYR 38 1HB TYR 38 -8.157 6.634 -0.300
236 HB3 TYR 38 2HB TYR 38 -6.922 5.380 -0.301
237 HD1 TYR 38 HD1 TYR 38 -5.788 4.792 -2.470
238 HD2 TYR 38 HD2 TYR 38 -8.312 8.193 -2.068
239 HE1 TYR 38 HE1 TYR 38 -4.806 5.754 -4.509
240 HE2 TYR 38 HE2 TYR 38 -7.337 9.164 -4.107
241 HH TYR 38 HH TYR 38 -5.745 8.973 -5.658
242 H VAL 39 H VAL 39 -7.864 2.868 0.237
243 HA VAL 39 HA VAL 39 -6.538 1.513 -1.962
244 HB VAL 39 HB VAL 39 -6.659 0.819 0.976
245 HG11 VAL 39 1HG1 VAL 39 -4.695 -0.278 -1.006
246 HG12 VAL 39 2HG1 VAL 39 -5.107 -0.882 0.600
247 HG13 VAL 39 3HG1 VAL 39 -6.252 -1.059 -0.730
248 HG21 VAL 39 3HG2 VAL 39 -5.484 2.955 0.315
249 HG22 VAL 39 1HG2 VAL 39 -4.498 1.771 1.174
250 HG23 VAL 39 2HG2 VAL 39 -4.339 1.950 -0.573
251 H GLY 40 H GLY 40 -8.516 0.209 0.702
252 HA2 GLY 40 1HA GLY 40 -10.312 -1.240 0.661
253 HA3 GLY 40 2HA GLY 40 -10.422 -0.983 -1.074
254 H ASN 41 H ASN 41 -10.291 -2.844 -2.122
255 HA ASN 41 HA ASN 41 -9.729 -4.983 -2.676
256 HB2 ASN 41 1HB ASN 41 -6.985 -4.453 -1.574
257 HB3 ASN 41 2HB ASN 41 -7.445 -5.361 -3.012
258 HD21 ASN 41 1HD2 ASN 41 -6.150 -2.539 -1.926
259 HD22 ASN 41 2HD2 ASN 41 -6.412 -1.550 -3.318
260 H ALA 42 H ALA 42 -11.003 -4.873 -0.251
261 HA ALA 42 HA ALA 42 -11.508 -6.280 1.476
262 HB1 ALA 42 3HB ALA 42 -10.988 -8.377 0.984
263 HB2 ALA 42 1HB ALA 42 -9.744 -7.822 -0.136
264 HB3 ALA 42 2HB ALA 42 -9.344 -8.102 1.559
265 H ARG 43 H ARG 43 -9.645 -3.956 1.625
266 HA ARG 43 HA ARG 43 -8.300 -4.679 4.146
267 HB2 ARG 43 1HB ARG 43 -7.442 -2.483 2.258
268 HB3 ARG 43 2HB ARG 43 -6.579 -3.071 3.673
269 HG2 ARG 43 1HG ARG 43 -7.103 -4.649 1.163
270 HG3 ARG 43 2HG ARG 43 -5.579 -3.871 1.596
271 HD2 ARG 43 1HD ARG 43 -5.235 -5.330 3.414
272 HD3 ARG 43 2HD ARG 43 -6.901 -5.905 3.368
273 HE ARG 43 HE ARG 43 -5.367 -6.455 0.986
274 HH11 ARG 43 1HH1 ARG 43 -6.348 -7.589 4.128
275 HH12 ARG 43 2HH1 ARG 43 -6.066 -9.258 3.758
276 HH21 ARG 43 1HH2 ARG 43 -4.992 -8.649 0.486
277 HH22 ARG 43 2HH2 ARG 43 -5.295 -9.860 1.686
278 H THR 44 H THR 44 -7.814 -2.527 5.419
279 HA THR 44 HA THR 44 -9.782 -0.459 5.196
280 HB THR 44 HB THR 44 -11.163 -2.235 6.213
281 HG1 THR 44 HG1 THR 44 -12.016 -0.878 7.722
282 HG21 THR 44 3HG2 THR 44 -9.319 -2.041 8.592
283 HG22 THR 44 1HG2 THR 44 -9.249 -3.345 7.407
284 HG23 THR 44 2HG2 THR 44 -10.700 -3.118 8.385
285 H LYS 45 H LYS 45 -9.590 1.141 6.964
286 HA LYS 45 HA LYS 45 -7.107 2.105 7.369
287 HB2 LYS 45 1HB LYS 45 -7.977 3.224 9.433
288 HB3 LYS 45 2HB LYS 45 -9.012 3.402 8.022
289 HG2 LYS 45 1HG LYS 45 -10.223 1.309 9.005
290 HG3 LYS 45 2HG LYS 45 -9.450 1.818 10.508
291 HD2 LYS 45 1HD LYS 45 -10.522 3.948 10.426
292 HD3 LYS 45 2HD LYS 45 -11.111 3.653 8.788
293 HE2 LYS 45 1HE LYS 45 -12.443 1.746 9.695
294 HE3 LYS 45 2HE LYS 45 -11.954 2.240 11.315
295 HZ1 LYS 45 3HZ LYS 45 -13.978 3.333 9.620
296 HZ2 LYS 45 1HZ LYS 45 -12.913 4.525 10.176
297 HZ3 LYS 45 2HZ LYS 45 -13.736 3.544 11.281
298 H GLU 46 H GLU 46 -8.753 -0.178 9.538
299 HA GLU 46 HA GLU 46 -6.818 -0.378 11.511
300 HB2 GLU 46 1HB GLU 46 -8.654 -2.528 10.442
301 HB3 GLU 46 2HB GLU 46 -7.744 -2.648 11.941
302 HG2 GLU 46 1HG GLU 46 -9.839 -0.573 11.341
303 HG3 GLU 46 2HG GLU 46 -10.084 -2.027 12.307
304 H GLU 47 H GLU 47 -7.058 -2.097 8.429
305 HA GLU 47 HA GLU 47 -4.604 -3.558 8.947
306 HB2 GLU 47 1HB GLU 47 -6.423 -3.493 6.534
307 HB3 GLU 47 2HB GLU 47 -5.008 -4.524 6.688
308 HG2 GLU 47 1HG GLU 47 -6.191 -5.323 8.874
309 HG3 GLU 47 2HG GLU 47 -7.632 -4.688 8.082
310 H CYS 48 H CYS 48 -5.707 -1.506 6.243
311 HA CYS 48 HA CYS 48 -3.439 -1.059 4.892
312 HB2 CYS 48 1HB CYS 48 -5.550 0.951 5.668
313 HB3 CYS 48 2HB CYS 48 -4.253 1.334 4.543
314 HG CYS 48 HG CYS 48 -5.370 0.349 2.453
315 H ARG 49 H ARG 49 -4.199 0.280 8.045
316 HA ARG 49 HA ARG 49 -2.061 2.126 8.181
317 HB2 ARG 49 1HB ARG 49 -3.929 2.334 9.690
318 HB3 ARG 49 2HB ARG 49 -3.633 0.731 10.350
319 HG2 ARG 49 1HG ARG 49 -1.355 1.655 11.069
320 HG3 ARG 49 2HG ARG 49 -2.055 3.244 10.752
321 HD2 ARG 49 1HD ARG 49 -2.542 2.990 12.982
322 HD3 ARG 49 2HD ARG 49 -4.008 2.347 12.244
323 HE ARG 49 HE ARG 49 -3.437 0.241 12.989
324 HH11 ARG 49 1HH1 ARG 49 -0.778 2.438 13.462
325 HH12 ARG 49 2HH1 ARG 49 0.123 1.339 14.453
326 HH21 ARG 49 1HH2 ARG 49 -2.261 -1.214 14.293
327 HH22 ARG 49 2HH2 ARG 49 -0.721 -0.738 14.925
328 H ASP 50 H ASP 50 -2.367 -0.859 10.102
329 HA ASP 50 HA ASP 50 0.325 -1.042 10.787
330 HB2 ASP 50 1HB ASP 50 -1.281 -2.324 12.013
331 HB3 ASP 50 2HB ASP 50 -1.804 -3.171 10.559
332 H HIS 51 H HIS 51 -1.427 -2.708 8.174
333 HA HIS 51 HA HIS 51 0.439 -4.303 7.078
334 HB2 HIS 51 1HB HIS 51 -1.670 -4.175 6.004
335 HB3 HIS 51 2HB HIS 51 -1.493 -2.451 5.692
336 HD1 HIS 51 HD1 HIS 51 0.263 -5.673 4.668
337 HD2 HIS 51 HD2 HIS 51 -0.718 -1.928 3.158
338 HE1 HIS 51 HE1 HIS 51 1.031 -5.691 2.273
339 HE2 HIS 51 HE2 HIS 51 0.504 -3.386 1.406
340 H TYR 52 H TYR 52 0.312 -0.787 6.684
341 HA TYR 52 HA TYR 52 2.603 -0.684 4.973
342 HB2 TYR 52 1HB TYR 52 0.860 1.049 4.907
343 HB3 TYR 52 2HB TYR 52 1.260 1.517 6.556
344 HD1 TYR 52 HD2 TYR 52 3.853 2.089 6.894
345 HD2 TYR 52 HD1 TYR 52 1.755 2.309 3.198
346 HE1 TYR 52 HE2 TYR 52 5.532 3.672 6.042
347 HE2 TYR 52 HE1 TYR 52 3.429 3.891 2.336
348 HH TYR 52 HH TYR 52 5.391 5.620 4.068
349 H LEU 53 H LEU 53 2.016 -0.079 8.412
350 HA LEU 53 HA LEU 53 4.654 0.753 9.022
351 HB2 LEU 53 1HB LEU 53 2.432 -0.355 10.720
352 HB3 LEU 53 2HB LEU 53 3.976 0.175 11.385
353 HG LEU 53 HG LEU 53 2.294 2.044 9.755
354 HD11 LEU 53 1HD1 LEU 53 0.820 1.150 11.480
355 HD12 LEU 53 2HD1 LEU 53 1.242 2.830 11.810
356 HD13 LEU 53 3HD1 LEU 53 2.021 1.532 12.714
357 HD21 LEU 53 3HD2 LEU 53 4.638 2.191 11.543
358 HD22 LEU 53 1HD2 LEU 53 3.463 3.499 11.685
359 HD23 LEU 53 2HD2 LEU 53 4.222 3.160 10.129
360 H LYS 54 H LYS 54 3.384 -2.267 8.233
361 HA LYS 54 HA LYS 54 5.601 -3.670 9.569
362 HB2 LYS 54 1HB LYS 54 4.320 -5.626 9.591
363 HB3 LYS 54 2HB LYS 54 3.151 -4.365 9.959
364 HG2 LYS 54 1HG LYS 54 2.334 -4.396 7.694
365 HG3 LYS 54 2HG LYS 54 3.583 -5.552 7.226
366 HD2 LYS 54 1HD LYS 54 1.777 -6.275 9.475
367 HD3 LYS 54 2HD LYS 54 1.124 -6.324 7.836
368 HE2 LYS 54 1HE LYS 54 3.721 -7.656 8.532
369 HE3 LYS 54 2HE LYS 54 2.176 -8.464 8.791
370 HZ1 LYS 54 3HZ LYS 54 3.626 -8.347 6.444
371 HZ2 LYS 54 1HZ LYS 54 2.283 -7.348 6.192
372 HZ3 LYS 54 2HZ LYS 54 2.063 -8.962 6.649
373 H THR 55 H THR 55 4.091 -2.977 6.502
374 HA THR 55 HA THR 55 5.760 -4.816 5.026
375 HB THR 55 HB THR 55 3.882 -2.653 4.058
376 HG1 THR 55 HG1 THR 55 3.616 -5.488 4.228
377 HG21 THR 55 3HG2 THR 55 5.850 -3.438 2.542
378 HG22 THR 55 1HG2 THR 55 4.220 -3.356 1.874
379 HG23 THR 55 2HG2 THR 55 4.893 -4.909 2.370
380 H TYR 56 H TYR 56 5.511 -1.295 5.413
381 HA TYR 56 HA TYR 56 7.774 -0.764 3.740
382 HB2 TYR 56 1HB TYR 56 6.163 0.945 5.632
383 HB3 TYR 56 2HB TYR 56 7.552 1.566 4.747
384 HD1 TYR 56 HD1 TYR 56 4.510 -0.474 3.963
385 HD2 TYR 56 HD2 TYR 56 7.032 2.771 2.861
386 HE1 TYR 56 HE1 TYR 56 3.064 -0.015 2.028
387 HE2 TYR 56 HE2 TYR 56 5.592 3.239 0.923
388 HH TYR 56 HH TYR 56 2.709 2.469 0.544
389 H ILE 57 H ILE 57 7.264 -0.136 7.216
390 HA ILE 57 HA ILE 57 9.966 0.287 7.821
391 HB ILE 57 HB ILE 57 7.790 -0.708 9.666
392 HG12 ILE 57 1HG1 ILE 57 7.120 1.376 8.659
393 HG13 ILE 57 2HG1 ILE 57 7.638 1.707 10.309
394 HG21 ILE 57 1HG2 ILE 57 10.227 0.833 10.484
395 HG22 ILE 57 2HG2 ILE 57 9.137 -0.133 11.478
396 HG23 ILE 57 3HG2 ILE 57 10.252 -0.927 10.366
397 HD11 ILE 57 3HD1 ILE 57 8.867 3.329 9.423
398 HD12 ILE 57 1HD1 ILE 57 9.942 2.051 8.859
399 HD13 ILE 57 2HD1 ILE 57 8.692 2.687 7.790
400 H GLU 58 H GLU 58 7.995 -2.584 8.618
401 HA GLU 58 HA GLU 58 10.435 -4.142 8.955
402 HB2 GLU 58 1HB GLU 58 7.567 -4.509 9.697
403 HB3 GLU 58 2HB GLU 58 8.571 -5.940 9.510
404 HG2 GLU 58 1HG GLU 58 9.240 -3.630 11.316
405 HG3 GLU 58 2HG GLU 58 8.413 -5.096 11.837
Start of MODEL 3
1 H1 GLY 1 H GLY 1 4.517 -29.499 1.754
2 HA2 GLY 1 1HA GLY 1 4.159 -30.774 4.115
3 HA3 GLY 1 2HA GLY 1 5.487 -29.679 4.470
4 H SER 2 H SER 2 3.436 -29.242 5.995
5 HA SER 2 HA SER 2 1.270 -27.765 5.116
6 HB2 SER 2 1HB SER 2 1.491 -28.579 7.422
7 HB3 SER 2 2HB SER 2 2.796 -27.429 7.710
8 HG SER 2 HG SER 2 0.177 -27.039 7.936
9 H SER 3 H SER 3 4.397 -26.513 6.277
10 HA SER 3 HA SER 3 3.942 -23.814 5.929
11 HB2 SER 3 1HB SER 3 6.441 -25.478 5.731
12 HB3 SER 3 2HB SER 3 6.491 -23.737 5.458
13 HG SER 3 HG SER 3 6.828 -24.620 7.700
14 H GLY 4 H GLY 4 5.068 -26.182 3.542
15 HA2 GLY 4 1HA GLY 4 5.497 -24.345 1.439
16 HA3 GLY 4 2HA GLY 4 5.239 -26.074 1.255
17 H SER 5 H SER 5 2.702 -26.418 2.180
18 HA SER 5 HA SER 5 1.123 -25.751 -0.002
19 HB2 SER 5 1HB SER 5 -0.716 -26.648 1.198
20 HB3 SER 5 2HB SER 5 0.695 -27.529 1.785
21 HG SER 5 HG SER 5 -0.870 -26.626 3.388
22 H SER 6 H SER 6 -0.905 -24.440 0.041
23 HA SER 6 HA SER 6 -0.268 -21.764 0.975
24 HB2 SER 6 1HB SER 6 -2.203 -22.933 -0.979
25 HB3 SER 6 2HB SER 6 -2.565 -21.353 -0.285
26 HG SER 6 HG SER 6 -0.721 -20.539 -1.162
27 H GLY 7 H GLY 7 -1.745 -20.458 2.178
28 HA2 GLY 7 1HA GLY 7 -4.141 -21.357 3.314
29 HA3 GLY 7 2HA GLY 7 -2.840 -21.750 4.429
30 H PHE 8 H PHE 8 -1.309 -19.852 4.863
31 HA PHE 8 HA PHE 8 -2.840 -17.343 5.014
32 HB2 PHE 8 1HB PHE 8 -1.241 -18.675 7.203
33 HB3 PHE 8 2HB PHE 8 -1.745 -16.989 7.269
34 HD1 PHE 8 HD2 PHE 8 -4.090 -16.401 7.537
35 HD2 PHE 8 HD1 PHE 8 -2.817 -20.462 7.496
36 HE1 PHE 8 HE2 PHE 8 -6.256 -17.085 8.483
37 HE2 PHE 8 HE1 PHE 8 -4.981 -21.153 8.441
38 HZ PHE 8 HZ PHE 8 -6.703 -19.464 8.937
39 H ASP 9 H ASP 9 -1.658 -16.590 3.206
40 HA ASP 9 HA ASP 9 1.197 -16.080 3.717
41 HB2 ASP 9 1HB ASP 9 0.468 -17.412 1.644
42 HB3 ASP 9 2HB ASP 9 -0.139 -15.879 1.025
43 H GLU 10 H GLU 10 1.200 -14.161 4.778
44 HA GLU 10 HA GLU 10 -0.546 -12.005 4.181
45 HB2 GLU 10 1HB GLU 10 0.967 -10.680 5.639
46 HB3 GLU 10 2HB GLU 10 0.430 -12.182 6.378
47 HG2 GLU 10 1HG GLU 10 2.649 -13.146 5.473
48 HG3 GLU 10 2HG GLU 10 3.131 -11.456 5.330
49 H ASN 11 H ASN 11 -0.275 -11.889 1.858
50 HA ASN 11 HA ASN 11 1.979 -10.155 1.135
51 HB2 ASN 11 1HB ASN 11 2.155 -12.681 0.402
52 HB3 ASN 11 2HB ASN 11 1.025 -12.179 -0.852
53 HD21 ASN 11 1HD2 ASN 11 1.744 -9.911 -1.785
54 HD22 ASN 11 2HD2 ASN 11 3.390 -9.867 -2.307
55 H TRP 12 H TRP 12 1.422 -8.426 -0.053
56 HA TRP 12 HA TRP 12 -1.395 -8.117 -0.743
57 HB2 TRP 12 1HB TRP 12 0.906 -6.232 -0.375
58 HB3 TRP 12 2HB TRP 12 -0.501 -5.715 -1.300
59 HD1 TRP 12 HD1 TRP 12 -0.417 -7.752 2.002
60 HE1 TRP 12 HE1 TRP 12 -1.836 -6.494 3.742
61 HE3 TRP 12 HE3 TRP 12 -1.616 -3.622 -0.762
62 HZ2 TRP 12 HZ2 TRP 12 -3.274 -4.071 3.920
63 HZ3 TRP 12 HZ3 TRP 12 -3.018 -1.881 0.267
64 HH2 TRP 12 HH2 TRP 12 -3.829 -2.103 2.559
65 H GLY 13 H GLY 13 -1.480 -6.433 -2.799
66 HA2 GLY 13 1HA GLY 13 -0.016 -7.800 -4.972
67 HA3 GLY 13 2HA GLY 13 -1.725 -7.412 -5.102
68 H ALA 14 H ALA 14 0.160 -6.563 -6.974
69 HA ALA 14 HA ALA 14 1.308 -4.085 -6.657
70 HB1 ALA 14 3HB ALA 14 1.847 -4.826 -8.710
71 HB2 ALA 14 1HB ALA 14 0.300 -5.642 -8.936
72 HB3 ALA 14 2HB ALA 14 0.430 -3.905 -9.213
73 H ASP 15 H ASP 15 -2.069 -4.885 -7.064
74 HA ASP 15 HA ASP 15 -2.998 -2.285 -7.693
75 HB2 ASP 15 1HB ASP 15 -4.269 -4.806 -6.703
76 HB3 ASP 15 2HB ASP 15 -5.194 -3.307 -6.658
77 H GLU 16 H GLU 16 -3.608 -4.055 -4.662
78 HA GLU 16 HA GLU 16 -4.234 -1.765 -3.171
79 HB2 GLU 16 1HB GLU 16 -3.866 -3.247 -1.179
80 HB3 GLU 16 2HB GLU 16 -4.969 -3.897 -2.383
81 HG2 GLU 16 1HG GLU 16 -2.101 -4.647 -2.550
82 HG3 GLU 16 2HG GLU 16 -3.091 -5.374 -1.285
83 H GLU 17 H GLU 17 -1.235 -2.944 -4.235
84 HA GLU 17 HA GLU 17 0.323 -1.766 -2.099
85 HB2 GLU 17 1HB GLU 17 1.003 -3.201 -4.651
86 HB3 GLU 17 2HB GLU 17 2.241 -2.357 -3.731
87 HG2 GLU 17 1HG GLU 17 0.477 -4.340 -2.371
88 HG3 GLU 17 2HG GLU 17 1.833 -4.891 -3.351
89 H LEU 18 H LEU 18 -0.636 -0.992 -5.384
90 HA LEU 18 HA LEU 18 1.100 1.271 -5.635
91 HB2 LEU 18 1HB LEU 18 0.567 0.540 -7.711
92 HB3 LEU 18 2HB LEU 18 -1.041 0.005 -7.227
93 HG LEU 18 HG LEU 18 -1.632 2.508 -7.167
94 HD11 LEU 18 1HD1 LEU 18 1.117 2.591 -8.087
95 HD12 LEU 18 2HD1 LEU 18 0.075 3.892 -7.512
96 HD13 LEU 18 3HD1 LEU 18 0.011 3.394 -9.202
97 HD21 LEU 18 3HD2 LEU 18 -1.064 1.755 -9.963
98 HD22 LEU 18 1HD2 LEU 18 -2.577 2.246 -9.200
99 HD23 LEU 18 2HD2 LEU 18 -1.993 0.592 -9.015
100 H LEU 19 H LEU 19 -2.317 0.802 -4.846
101 HA LEU 19 HA LEU 19 -3.024 3.524 -4.727
102 HB2 LEU 19 1HB LEU 19 -4.192 1.161 -3.265
103 HB3 LEU 19 2HB LEU 19 -4.940 2.752 -3.375
104 HG LEU 19 HG LEU 19 -4.300 1.264 -5.883
105 HD11 LEU 19 1HD1 LEU 19 -6.801 0.810 -4.268
106 HD12 LEU 19 2HD1 LEU 19 -5.458 -0.329 -4.364
107 HD13 LEU 19 3HD1 LEU 19 -6.376 0.077 -5.815
108 HD21 LEU 19 3HD2 LEU 19 -6.582 3.081 -5.121
109 HD22 LEU 19 1HD2 LEU 19 -6.181 2.495 -6.736
110 HD23 LEU 19 2HD2 LEU 19 -5.095 3.613 -5.910
111 H LEU 20 H LEU 20 -2.302 1.260 -2.064
112 HA LEU 20 HA LEU 20 -2.452 2.783 0.124
113 HB2 LEU 20 1HB LEU 20 -1.614 0.477 0.097
114 HB3 LEU 20 2HB LEU 20 -0.076 1.051 -0.546
115 HG LEU 20 HG LEU 20 0.323 2.284 1.540
116 HD11 LEU 20 1HD1 LEU 20 -1.821 2.814 2.336
117 HD12 LEU 20 2HD1 LEU 20 -1.176 1.651 3.494
118 HD13 LEU 20 3HD1 LEU 20 -2.349 1.132 2.284
119 HD21 LEU 20 3HD2 LEU 20 0.099 -0.612 1.304
120 HD22 LEU 20 1HD2 LEU 20 0.060 -0.043 2.973
121 HD23 LEU 20 2HD2 LEU 20 1.419 0.378 1.930
122 H ILE 21 H ILE 21 0.405 2.791 -2.005
123 HA ILE 21 HA ILE 21 1.735 4.880 -0.638
124 HB ILE 21 HB ILE 21 2.060 3.938 -3.489
125 HG12 ILE 21 1HG1 ILE 21 3.871 3.346 -1.158
126 HG13 ILE 21 2HG1 ILE 21 2.476 2.333 -1.512
127 HG21 ILE 21 1HG2 ILE 21 3.046 6.266 -2.312
128 HG22 ILE 21 2HG2 ILE 21 4.396 5.133 -2.298
129 HG23 ILE 21 3HG2 ILE 21 3.587 5.521 -3.816
130 HD11 ILE 21 3HD1 ILE 21 4.563 1.446 -2.443
131 HD12 ILE 21 1HD1 ILE 21 3.370 1.808 -3.690
132 HD13 ILE 21 2HD1 ILE 21 4.728 2.902 -3.424
133 H ASP 22 H ASP 22 -0.040 4.886 -3.731
134 HA ASP 22 HA ASP 22 0.121 7.524 -4.407
135 HB2 ASP 22 1HB ASP 22 -1.954 5.430 -4.803
136 HB3 ASP 22 2HB ASP 22 -2.411 7.094 -5.160
137 H ALA 23 H ALA 23 -2.053 6.070 -2.033
138 HA ALA 23 HA ALA 23 -3.420 8.528 -1.467
139 HB1 ALA 23 3HB ALA 23 -4.003 6.978 0.661
140 HB2 ALA 23 1HB ALA 23 -4.836 6.874 -0.890
141 HB3 ALA 23 2HB ALA 23 -3.534 5.746 -0.510
142 H CYS 24 H CYS 24 -0.824 6.668 0.050
143 HA CYS 24 HA CYS 24 -0.550 8.005 2.441
144 HB2 CYS 24 1HB CYS 24 0.848 6.163 2.223
145 HB3 CYS 24 2HB CYS 24 1.404 6.645 0.625
146 HG CYS 24 HG CYS 24 2.295 8.816 2.988
147 H GLU 25 H GLU 25 0.681 8.933 -0.740
148 HA GLU 25 HA GLU 25 1.822 11.381 0.356
149 HB2 GLU 25 1HB GLU 25 2.022 9.923 -2.235
150 HB3 GLU 25 2HB GLU 25 2.299 11.659 -2.245
151 HG2 GLU 25 1HG GLU 25 3.750 9.767 -0.418
152 HG3 GLU 25 2HG GLU 25 4.345 10.234 -2.010
153 H THR 26 H THR 26 -0.878 10.286 -1.567
154 HA THR 26 HA THR 26 -1.665 12.894 -2.457
155 HB THR 26 HB THR 26 -3.109 10.243 -2.441
156 HG1 THR 26 HG1 THR 26 -1.861 11.830 -4.449
157 HG21 THR 26 3HG2 THR 26 -4.813 11.309 -3.846
158 HG22 THR 26 1HG2 THR 26 -4.027 12.871 -3.617
159 HG23 THR 26 2HG2 THR 26 -4.757 12.040 -2.242
160 H LEU 27 H LEU 27 -3.500 10.609 -0.430
161 HA LEU 27 HA LEU 27 -5.027 12.706 0.758
162 HB2 LEU 27 1HB LEU 27 -4.750 9.843 1.655
163 HB3 LEU 27 2HB LEU 27 -6.033 10.966 2.102
164 HG LEU 27 HG LEU 27 -5.548 9.868 -0.668
165 HD11 LEU 27 1HD1 LEU 27 -7.721 8.704 -0.233
166 HD12 LEU 27 2HD1 LEU 27 -7.560 9.168 1.460
167 HD13 LEU 27 3HD1 LEU 27 -6.359 8.111 0.718
168 HD21 LEU 27 3HD2 LEU 27 -6.620 11.800 -1.175
169 HD22 LEU 27 1HD2 LEU 27 -7.331 11.959 0.431
170 HD23 LEU 27 2HD2 LEU 27 -8.035 10.841 -0.737
171 H GLY 28 H GLY 28 -2.329 10.682 1.834
172 HA2 GLY 28 1HA GLY 28 -0.640 11.555 3.289
173 HA3 GLY 28 2HA GLY 28 -1.843 12.633 3.980
174 H LEU 29 H LEU 29 -0.095 9.858 4.482
175 HA LEU 29 HA LEU 29 -1.689 8.015 5.693
176 HB2 LEU 29 1HB LEU 29 1.001 9.024 6.595
177 HB3 LEU 29 2HB LEU 29 0.226 7.583 7.248
178 HG LEU 29 HG LEU 29 1.008 7.944 4.357
179 HD11 LEU 29 1HD1 LEU 29 2.865 7.819 6.156
180 HD12 LEU 29 2HD1 LEU 29 2.957 6.761 4.748
181 HD13 LEU 29 3HD1 LEU 29 2.386 6.127 6.291
182 HD21 LEU 29 3HD2 LEU 29 0.649 5.497 4.277
183 HD22 LEU 29 1HD2 LEU 29 -0.825 6.402 4.623
184 HD23 LEU 29 2HD2 LEU 29 0.021 5.564 5.924
185 H GLY 30 H GLY 30 -1.026 11.230 6.785
186 HA2 GLY 30 1HA GLY 30 -1.380 11.255 9.461
187 HA3 GLY 30 2HA GLY 30 -2.133 12.448 8.413
188 H ASN 31 H ASN 31 -3.850 10.471 7.101
189 HA ASN 31 HA ASN 31 -5.620 9.704 9.316
190 HB2 ASN 31 1HB ASN 31 -6.294 11.913 8.248
191 HB3 ASN 31 2HB ASN 31 -6.649 10.994 6.788
192 HD21 ASN 31 1HD2 ASN 31 -7.734 11.947 9.867
193 HD22 ASN 31 2HD2 ASN 31 -9.230 11.084 9.866
194 H TRP 32 H TRP 32 -5.370 7.534 9.119
195 HA TRP 32 HA TRP 32 -5.188 6.155 6.652
196 HB2 TRP 32 1HB TRP 32 -5.783 5.238 9.465
197 HB3 TRP 32 2HB TRP 32 -5.686 4.122 8.106
198 HD1 TRP 32 HD1 TRP 32 -3.542 6.055 10.523
199 HE1 TRP 32 HE1 TRP 32 -1.062 5.521 10.088
200 HE3 TRP 32 HE3 TRP 32 -4.017 3.528 6.104
201 HZ2 TRP 32 HZ2 TRP 32 0.488 4.203 8.132
202 HZ3 TRP 32 HZ3 TRP 32 -1.987 2.663 5.016
203 HH2 TRP 32 HH2 TRP 32 0.218 2.995 6.010
204 H ALA 33 H ALA 33 -7.870 6.953 8.782
205 HA ALA 33 HA ALA 33 -9.879 5.329 7.924
206 HB1 ALA 33 3HB ALA 33 -11.336 6.804 8.867
207 HB2 ALA 33 1HB ALA 33 -9.831 7.421 9.548
208 HB3 ALA 33 2HB ALA 33 -10.554 8.211 8.146
209 H ASP 34 H ASP 34 -8.752 8.286 6.315
210 HA ASP 34 HA ASP 34 -10.624 8.092 4.168
211 HB2 ASP 34 1HB ASP 34 -8.064 9.680 4.441
212 HB3 ASP 34 2HB ASP 34 -9.206 9.851 3.110
213 H ILE 35 H ILE 35 -7.292 7.075 4.665
214 HA ILE 35 HA ILE 35 -6.680 6.385 2.013
215 HB ILE 35 HB ILE 35 -5.628 5.196 4.581
216 HG12 ILE 35 1HG1 ILE 35 -4.361 7.254 2.767
217 HG13 ILE 35 2HG1 ILE 35 -5.304 7.672 4.194
218 HG21 ILE 35 1HG2 ILE 35 -5.159 3.638 2.858
219 HG22 ILE 35 2HG2 ILE 35 -4.695 4.916 1.735
220 HG23 ILE 35 3HG2 ILE 35 -3.674 4.552 3.126
221 HD11 ILE 35 3HD1 ILE 35 -3.260 5.735 4.816
222 HD12 ILE 35 1HD1 ILE 35 -2.581 7.183 4.073
223 HD13 ILE 35 2HD1 ILE 35 -3.572 7.318 5.527
224 H ALA 36 H ALA 36 -8.112 4.500 4.648
225 HA ALA 36 HA ALA 36 -8.157 1.984 3.555
226 HB1 ALA 36 3HB ALA 36 -10.480 3.173 5.057
227 HB2 ALA 36 1HB ALA 36 -9.985 1.481 4.990
228 HB3 ALA 36 2HB ALA 36 -8.978 2.663 5.827
229 H ASP 37 H ASP 37 -10.562 4.559 3.059
230 HA ASP 37 HA ASP 37 -12.182 3.063 1.280
231 HB2 ASP 37 1HB ASP 37 -12.685 5.265 2.612
232 HB3 ASP 37 2HB ASP 37 -12.046 6.055 1.173
233 H TYR 38 H TYR 38 -9.180 4.626 0.896
234 HA TYR 38 HA TYR 38 -9.475 4.984 -1.977
235 HB2 TYR 38 1HB TYR 38 -8.217 6.600 -0.465
236 HB3 TYR 38 2HB TYR 38 -6.963 5.371 -0.350
237 HD1 TYR 38 HD1 TYR 38 -5.595 4.803 -2.297
238 HD2 TYR 38 HD2 TYR 38 -8.540 7.867 -2.494
239 HE1 TYR 38 HE1 TYR 38 -4.585 5.631 -4.381
240 HE2 TYR 38 HE2 TYR 38 -7.539 8.703 -4.579
241 HH TYR 38 HH TYR 38 -5.058 8.551 -5.619
242 H VAL 39 H VAL 39 -7.894 2.851 0.316
243 HA VAL 39 HA VAL 39 -6.492 1.406 -1.776
244 HB VAL 39 HB VAL 39 -6.688 0.865 1.191
245 HG11 VAL 39 1HG1 VAL 39 -4.630 -0.565 0.662
246 HG12 VAL 39 2HG1 VAL 39 -6.213 -1.213 0.228
247 HG13 VAL 39 3HG1 VAL 39 -5.178 -0.503 -1.012
248 HG21 VAL 39 3HG2 VAL 39 -5.488 2.881 0.867
249 HG22 VAL 39 1HG2 VAL 39 -4.278 1.622 1.116
250 HG23 VAL 39 2HG2 VAL 39 -4.607 2.220 -0.510
251 H GLY 40 H GLY 40 -8.613 0.287 0.870
252 HA2 GLY 40 1HA GLY 40 -10.318 -1.255 0.885
253 HA3 GLY 40 2HA GLY 40 -10.466 -1.001 -0.848
254 H ASN 41 H ASN 41 -10.337 -2.864 -1.894
255 HA ASN 41 HA ASN 41 -9.724 -4.970 -2.501
256 HB2 ASN 41 1HB ASN 41 -7.019 -4.505 -1.291
257 HB3 ASN 41 2HB ASN 41 -7.440 -5.336 -2.785
258 HD21 ASN 41 1HD2 ASN 41 -6.221 -2.546 -1.479
259 HD22 ASN 41 2HD2 ASN 41 -6.393 -1.504 -2.846
260 H ALA 42 H ALA 42 -11.067 -4.870 -0.094
261 HA ALA 42 HA ALA 42 -11.642 -6.299 1.592
262 HB1 ALA 42 3HB ALA 42 -10.269 -7.922 -0.082
263 HB2 ALA 42 1HB ALA 42 -9.291 -8.051 1.380
264 HB3 ALA 42 2HB ALA 42 -11.008 -8.451 1.430
265 H ARG 43 H ARG 43 -9.723 -4.026 1.828
266 HA ARG 43 HA ARG 43 -8.463 -4.832 4.368
267 HB2 ARG 43 1HB ARG 43 -7.467 -2.607 2.594
268 HB3 ARG 43 2HB ARG 43 -6.648 -3.350 3.961
269 HG2 ARG 43 1HG ARG 43 -7.315 -4.834 1.433
270 HG3 ARG 43 2HG ARG 43 -5.785 -3.995 1.699
271 HD2 ARG 43 1HD ARG 43 -5.314 -5.393 3.618
272 HD3 ARG 43 2HD ARG 43 -6.887 -6.176 3.466
273 HE ARG 43 HE ARG 43 -5.272 -6.410 1.107
274 HH11 ARG 43 1HH1 ARG 43 -5.948 -7.764 4.242
275 HH12 ARG 43 2HH1 ARG 43 -5.369 -9.344 3.829
276 HH21 ARG 43 1HH2 ARG 43 -4.507 -8.485 0.551
277 HH22 ARG 43 2HH2 ARG 43 -4.549 -9.753 1.729
278 H THR 44 H THR 44 -7.815 -2.519 5.490
279 HA THR 44 HA THR 44 -9.804 -0.489 5.300
280 HB THR 44 HB THR 44 -11.174 -2.200 6.413
281 HG1 THR 44 HG1 THR 44 -11.571 -0.043 6.980
282 HG21 THR 44 3HG2 THR 44 -9.321 -2.005 8.773
283 HG22 THR 44 1HG2 THR 44 -9.153 -3.269 7.556
284 HG23 THR 44 2HG2 THR 44 -10.637 -3.147 8.501
285 H LYS 45 H LYS 45 -9.513 1.205 6.922
286 HA LYS 45 HA LYS 45 -7.045 2.173 7.241
287 HB2 LYS 45 1HB LYS 45 -7.815 3.374 9.267
288 HB3 LYS 45 2HB LYS 45 -8.985 3.428 7.955
289 HG2 LYS 45 1HG LYS 45 -9.970 1.324 9.188
290 HG3 LYS 45 2HG LYS 45 -9.127 2.025 10.571
291 HD2 LYS 45 1HD LYS 45 -10.469 3.886 10.618
292 HD3 LYS 45 2HD LYS 45 -10.831 3.801 8.893
293 HE2 LYS 45 1HE LYS 45 -12.839 3.159 9.831
294 HE3 LYS 45 2HE LYS 45 -12.065 1.603 9.538
295 HZ1 LYS 45 3HZ LYS 45 -12.582 2.974 12.072
296 HZ2 LYS 45 1HZ LYS 45 -11.197 2.008 11.964
297 HZ3 LYS 45 2HZ LYS 45 -12.722 1.333 11.684
298 H GLU 46 H GLU 46 -8.585 0.059 9.663
299 HA GLU 46 HA GLU 46 -6.475 -0.117 11.450
300 HB2 GLU 46 1HB GLU 46 -8.741 -1.934 10.740
301 HB3 GLU 46 2HB GLU 46 -7.484 -2.524 11.818
302 HG2 GLU 46 1HG GLU 46 -9.183 -1.686 13.202
303 HG3 GLU 46 2HG GLU 46 -7.900 -0.477 13.229
304 H GLU 47 H GLU 47 -7.093 -2.006 8.525
305 HA GLU 47 HA GLU 47 -4.746 -3.641 8.909
306 HB2 GLU 47 1HB GLU 47 -6.919 -3.463 6.873
307 HB3 GLU 47 2HB GLU 47 -5.407 -4.231 6.408
308 HG2 GLU 47 1HG GLU 47 -5.702 -5.636 8.535
309 HG3 GLU 47 2HG GLU 47 -7.371 -5.068 8.503
310 H CYS 48 H CYS 48 -5.734 -1.534 6.205
311 HA CYS 48 HA CYS 48 -3.391 -1.313 4.866
312 HB2 CYS 48 1HB CYS 48 -5.499 0.772 5.401
313 HB3 CYS 48 2HB CYS 48 -4.125 1.096 4.351
314 HG CYS 48 HG CYS 48 -5.566 -1.740 3.479
315 H ARG 49 H ARG 49 -4.202 0.216 7.908
316 HA ARG 49 HA ARG 49 -2.093 2.076 8.016
317 HB2 ARG 49 1HB ARG 49 -3.866 2.362 9.557
318 HB3 ARG 49 2HB ARG 49 -3.729 0.710 10.142
319 HG2 ARG 49 1HG ARG 49 -1.586 1.245 11.177
320 HG3 ARG 49 2HG ARG 49 -1.710 2.901 10.578
321 HD2 ARG 49 1HD ARG 49 -2.532 3.194 12.687
322 HD3 ARG 49 2HD ARG 49 -4.028 2.806 11.838
323 HE ARG 49 HE ARG 49 -4.132 0.809 12.976
324 HH11 ARG 49 1HH1 ARG 49 -1.015 2.284 13.459
325 HH12 ARG 49 2HH1 ARG 49 -0.543 1.183 14.711
326 HH21 ARG 49 1HH2 ARG 49 -3.521 -0.647 14.622
327 HH22 ARG 49 2HH2 ARG 49 -1.969 -0.484 15.371
328 H ASP 50 H ASP 50 -2.303 -0.840 10.046
329 HA ASP 50 HA ASP 50 0.405 -0.950 10.676
330 HB2 ASP 50 1HB ASP 50 -1.414 -2.202 11.843
331 HB3 ASP 50 2HB ASP 50 -1.475 -3.311 10.476
332 H HIS 51 H HIS 51 -1.373 -2.613 8.092
333 HA HIS 51 HA HIS 51 0.451 -4.284 7.025
334 HB2 HIS 51 1HB HIS 51 -1.582 -4.187 5.881
335 HB3 HIS 51 2HB HIS 51 -1.506 -2.437 5.696
336 HD1 HIS 51 HD1 HIS 51 0.588 -5.390 4.492
337 HD2 HIS 51 HD2 HIS 51 -0.939 -1.766 3.150
338 HE1 HIS 51 HE1 HIS 51 1.300 -5.209 2.087
339 HE2 HIS 51 HE2 HIS 51 0.438 -2.970 1.322
340 H TYR 52 H TYR 52 0.455 -0.769 6.674
341 HA TYR 52 HA TYR 52 2.763 -0.761 4.958
342 HB2 TYR 52 1HB TYR 52 0.984 0.995 4.886
343 HB3 TYR 52 2HB TYR 52 1.528 1.553 6.464
344 HD1 TYR 52 HD2 TYR 52 4.208 1.950 6.527
345 HD2 TYR 52 HD1 TYR 52 1.740 2.186 3.070
346 HE1 TYR 52 HE2 TYR 52 5.873 3.401 5.444
347 HE2 TYR 52 HE1 TYR 52 3.399 3.636 1.977
348 HH TYR 52 HH TYR 52 5.924 4.033 2.195
349 H LEU 53 H LEU 53 2.110 -0.043 8.363
350 HA LEU 53 HA LEU 53 4.785 0.710 8.982
351 HB2 LEU 53 1HB LEU 53 2.524 -0.200 10.756
352 HB3 LEU 53 2HB LEU 53 4.051 0.461 11.337
353 HG LEU 53 HG LEU 53 2.254 2.037 9.520
354 HD11 LEU 53 1HD1 LEU 53 0.759 1.643 11.245
355 HD12 LEU 53 2HD1 LEU 53 1.550 3.136 11.750
356 HD13 LEU 53 3HD1 LEU 53 2.026 1.599 12.471
357 HD21 LEU 53 3HD2 LEU 53 4.689 2.504 11.110
358 HD22 LEU 53 1HD2 LEU 53 3.472 3.778 11.180
359 HD23 LEU 53 2HD2 LEU 53 4.133 3.276 9.624
360 H LYS 54 H LYS 54 3.372 -2.261 8.322
361 HA LYS 54 HA LYS 54 5.432 -3.713 9.844
362 HB2 LYS 54 1HB LYS 54 4.023 -5.549 9.987
363 HB3 LYS 54 2HB LYS 54 2.892 -4.209 10.116
364 HG2 LYS 54 1HG LYS 54 2.296 -4.448 7.781
365 HG3 LYS 54 2HG LYS 54 3.486 -5.738 7.590
366 HD2 LYS 54 1HD LYS 54 1.421 -6.030 9.712
367 HD3 LYS 54 2HD LYS 54 0.927 -6.256 8.033
368 HE2 LYS 54 1HE LYS 54 3.336 -7.651 9.151
369 HE3 LYS 54 2HE LYS 54 1.716 -8.310 9.373
370 HZ1 LYS 54 3HZ LYS 54 2.822 -7.617 6.712
371 HZ2 LYS 54 1HZ LYS 54 1.436 -8.525 7.053
372 HZ3 LYS 54 2HZ LYS 54 2.967 -9.158 7.395
373 H THR 55 H THR 55 4.133 -3.074 6.681
374 HA THR 55 HA THR 55 5.765 -5.105 5.403
375 HB THR 55 HB THR 55 3.954 -2.987 4.230
376 HG1 THR 55 HG1 THR 55 2.825 -5.091 3.676
377 HG21 THR 55 3HG2 THR 55 4.659 -5.243 2.528
378 HG22 THR 55 1HG2 THR 55 6.051 -4.246 2.947
379 HG23 THR 55 2HG2 THR 55 4.647 -3.517 2.167
380 H TYR 56 H TYR 56 5.690 -1.595 5.747
381 HA TYR 56 HA TYR 56 8.009 -1.239 4.056
382 HB2 TYR 56 1HB TYR 56 6.416 0.693 5.747
383 HB3 TYR 56 2HB TYR 56 7.793 1.163 4.757
384 HD1 TYR 56 HD1 TYR 56 4.700 -0.895 4.284
385 HD2 TYR 56 HD2 TYR 56 7.226 2.178 2.775
386 HE1 TYR 56 HE1 TYR 56 3.209 -0.629 2.346
387 HE2 TYR 56 HE2 TYR 56 5.742 2.454 0.834
388 HH TYR 56 HH TYR 56 3.374 2.013 0.249
389 H ILE 57 H ILE 57 7.320 -0.309 7.432
390 HA ILE 57 HA ILE 57 10.012 0.075 8.142
391 HB ILE 57 HB ILE 57 7.699 -0.615 9.958
392 HG12 ILE 57 1HG1 ILE 57 7.254 1.376 8.593
393 HG13 ILE 57 2HG1 ILE 57 7.497 1.812 10.281
394 HG21 ILE 57 1HG2 ILE 57 9.166 0.753 11.582
395 HG22 ILE 57 2HG2 ILE 57 9.599 -0.925 11.256
396 HG23 ILE 57 3HG2 ILE 57 10.476 0.383 10.462
397 HD11 ILE 57 3HD1 ILE 57 8.705 3.425 9.185
398 HD12 ILE 57 1HD1 ILE 57 9.949 2.227 9.542
399 HD13 ILE 57 2HD1 ILE 57 9.248 2.316 7.926
400 H GLU 58 H GLU 58 7.855 -2.573 9.187
401 HA GLU 58 HA GLU 58 10.138 -4.195 9.912
402 HB2 GLU 58 1HB GLU 58 7.748 -4.022 11.040
403 HB3 GLU 58 2HB GLU 58 7.358 -5.280 9.875
404 HG2 GLU 58 1HG GLU 58 9.576 -6.350 10.845
405 HG3 GLU 58 2HG GLU 58 9.138 -5.367 12.241
Start of MODEL 4
1 H1 GLY 1 H GLY 1 5.705 -14.166 19.951
2 HA2 GLY 1 1HA GLY 1 8.052 -14.564 18.671
3 HA3 GLY 1 2HA GLY 1 7.984 -15.936 19.766
4 H SER 2 H SER 2 8.104 -16.827 17.402
5 HA SER 2 HA SER 2 7.087 -18.178 15.875
6 HB2 SER 2 1HB SER 2 5.693 -18.795 17.947
7 HB3 SER 2 2HB SER 2 4.459 -17.725 17.282
8 HG SER 2 HG SER 2 5.602 -19.729 15.675
9 H SER 3 H SER 3 7.431 -15.489 15.273
10 HA SER 3 HA SER 3 5.061 -14.309 14.219
11 HB2 SER 3 1HB SER 3 6.887 -12.860 14.794
12 HB3 SER 3 2HB SER 3 7.994 -13.743 13.742
13 HG SER 3 HG SER 3 7.261 -11.832 12.748
14 H GLY 4 H GLY 4 7.859 -15.893 12.672
15 HA2 GLY 4 1HA GLY 4 7.813 -17.323 10.826
16 HA3 GLY 4 2HA GLY 4 6.112 -16.943 10.602
17 H SER 5 H SER 5 6.282 -14.147 10.485
18 HA SER 5 HA SER 5 7.091 -13.825 7.761
19 HB2 SER 5 1HB SER 5 5.116 -12.679 8.853
20 HB3 SER 5 2HB SER 5 6.274 -11.637 9.681
21 HG SER 5 HG SER 5 6.669 -10.612 7.865
22 H SER 6 H SER 6 9.166 -13.662 7.228
23 HA SER 6 HA SER 6 11.081 -12.464 9.051
24 HB2 SER 6 1HB SER 6 11.382 -13.836 6.375
25 HB3 SER 6 2HB SER 6 12.736 -13.131 7.257
26 HG SER 6 HG SER 6 12.738 -14.795 8.534
27 H GLY 7 H GLY 7 10.334 -12.025 5.584
28 HA2 GLY 7 1HA GLY 7 10.158 -9.188 5.819
29 HA3 GLY 7 2HA GLY 7 11.718 -9.673 5.171
30 H PHE 8 H PHE 8 11.702 -11.023 3.218
31 HA PHE 8 HA PHE 8 10.045 -9.907 1.226
32 HB2 PHE 8 1HB PHE 8 11.152 -11.383 -0.309
33 HB3 PHE 8 2HB PHE 8 12.347 -10.845 0.866
34 HD1 PHE 8 HD2 PHE 8 13.059 -12.388 2.685
35 HD2 PHE 8 HD1 PHE 8 10.609 -13.663 -0.554
36 HE1 PHE 8 HE2 PHE 8 13.619 -14.730 3.188
37 HE2 PHE 8 HE1 PHE 8 11.165 -16.008 -0.055
38 HZ PHE 8 HZ PHE 8 12.672 -16.544 1.817
39 H ASP 9 H ASP 9 7.893 -10.239 1.432
40 HA ASP 9 HA ASP 9 6.968 -13.021 1.233
41 HB2 ASP 9 1HB ASP 9 5.810 -10.874 3.022
42 HB3 ASP 9 2HB ASP 9 5.030 -12.419 2.692
43 H GLU 10 H GLU 10 6.243 -9.597 0.748
44 HA GLU 10 HA GLU 10 4.829 -8.516 -0.681
45 HB2 GLU 10 1HB GLU 10 6.572 -9.749 -2.173
46 HB3 GLU 10 2HB GLU 10 5.218 -10.783 -2.607
47 HG2 GLU 10 1HG GLU 10 4.073 -9.062 -3.657
48 HG3 GLU 10 2HG GLU 10 4.993 -7.811 -2.823
49 H ASN 11 H ASN 11 3.435 -10.002 1.161
50 HA ASN 11 HA ASN 11 1.584 -11.840 0.193
51 HB2 ASN 11 1HB ASN 11 0.120 -10.824 2.117
52 HB3 ASN 11 2HB ASN 11 1.601 -11.693 2.506
53 HD21 ASN 11 1HD2 ASN 11 1.546 -10.522 4.505
54 HD22 ASN 11 2HD2 ASN 11 2.152 -8.906 4.574
55 H TRP 12 H TRP 12 1.252 -8.310 0.515
56 HA TRP 12 HA TRP 12 -1.333 -8.152 -0.591
57 HB2 TRP 12 1HB TRP 12 0.881 -6.196 -0.118
58 HB3 TRP 12 2HB TRP 12 -0.489 -5.710 -1.112
59 HD1 TRP 12 HD1 TRP 12 -0.550 -7.790 2.161
60 HE1 TRP 12 HE1 TRP 12 -2.082 -6.581 3.838
61 HE3 TRP 12 HE3 TRP 12 -1.650 -3.630 -0.599
62 HZ2 TRP 12 HZ2 TRP 12 -3.562 -4.181 3.973
63 HZ3 TRP 12 HZ3 TRP 12 -3.132 -1.926 0.376
64 HH2 TRP 12 HH2 TRP 12 -4.068 -2.197 2.615
65 H GLY 13 H GLY 13 -1.449 -6.458 -2.630
66 HA2 GLY 13 1HA GLY 13 0.106 -7.750 -4.786
67 HA3 GLY 13 2HA GLY 13 -1.608 -7.397 -4.948
68 H ALA 14 H ALA 14 0.522 -6.495 -6.660
69 HA ALA 14 HA ALA 14 1.509 -3.982 -6.290
70 HB1 ALA 14 3HB ALA 14 2.198 -4.708 -8.306
71 HB2 ALA 14 1HB ALA 14 0.682 -5.544 -8.641
72 HB3 ALA 14 2HB ALA 14 0.803 -3.802 -8.892
73 H ASP 15 H ASP 15 -1.809 -4.878 -6.968
74 HA ASP 15 HA ASP 15 -2.765 -2.292 -7.609
75 HB2 ASP 15 1HB ASP 15 -4.203 -4.717 -6.513
76 HB3 ASP 15 2HB ASP 15 -5.010 -3.259 -7.085
77 H GLU 16 H GLU 16 -3.553 -4.148 -4.671
78 HA GLU 16 HA GLU 16 -4.359 -1.908 -3.188
79 HB2 GLU 16 1HB GLU 16 -4.134 -3.416 -1.208
80 HB3 GLU 16 2HB GLU 16 -5.085 -4.094 -2.522
81 HG2 GLU 16 1HG GLU 16 -2.186 -4.721 -2.426
82 HG3 GLU 16 2HG GLU 16 -3.251 -5.501 -1.258
83 H GLU 17 H GLU 17 -1.255 -2.982 -4.038
84 HA GLU 17 HA GLU 17 0.088 -1.788 -1.763
85 HB2 GLU 17 1HB GLU 17 0.997 -3.246 -4.223
86 HB3 GLU 17 2HB GLU 17 2.149 -2.337 -3.255
87 HG2 GLU 17 1HG GLU 17 1.213 -3.696 -1.275
88 HG3 GLU 17 2HG GLU 17 0.575 -4.769 -2.519
89 H LEU 18 H LEU 18 -0.548 -1.060 -5.142
90 HA LEU 18 HA LEU 18 1.133 1.260 -5.209
91 HB2 LEU 18 1HB LEU 18 0.868 0.414 -7.313
92 HB3 LEU 18 2HB LEU 18 -0.812 -0.040 -7.036
93 HG LEU 18 HG LEU 18 -1.240 2.524 -7.080
94 HD11 LEU 18 1HD1 LEU 18 1.550 2.292 -8.038
95 HD12 LEU 18 2HD1 LEU 18 0.742 3.615 -7.197
96 HD13 LEU 18 3HD1 LEU 18 0.481 3.379 -8.925
97 HD21 LEU 18 3HD2 LEU 18 -2.046 2.230 -9.170
98 HD22 LEU 18 1HD2 LEU 18 -1.616 0.548 -8.858
99 HD23 LEU 18 2HD2 LEU 18 -0.525 1.579 -9.784
100 H LEU 19 H LEU 19 -2.359 0.696 -4.935
101 HA LEU 19 HA LEU 19 -3.181 3.367 -4.922
102 HB2 LEU 19 1HB LEU 19 -4.403 1.008 -3.497
103 HB3 LEU 19 2HB LEU 19 -5.204 2.550 -3.789
104 HG LEU 19 HG LEU 19 -4.214 0.839 -6.051
105 HD11 LEU 19 1HD1 LEU 19 -6.489 0.370 -4.268
106 HD12 LEU 19 2HD1 LEU 19 -5.675 -0.723 -5.386
107 HD13 LEU 19 3HD1 LEU 19 -6.897 0.399 -5.984
108 HD21 LEU 19 3HD2 LEU 19 -4.902 3.301 -6.281
109 HD22 LEU 19 1HD2 LEU 19 -6.546 2.724 -6.009
110 HD23 LEU 19 2HD2 LEU 19 -5.621 2.132 -7.389
111 H LEU 20 H LEU 20 -2.195 1.250 -2.259
112 HA LEU 20 HA LEU 20 -2.790 2.872 -0.103
113 HB2 LEU 20 1HB LEU 20 -2.025 0.616 0.196
114 HB3 LEU 20 2HB LEU 20 -0.462 1.006 -0.518
115 HG LEU 20 HG LEU 20 0.031 2.454 1.418
116 HD11 LEU 20 1HD1 LEU 20 -1.957 1.405 3.204
117 HD12 LEU 20 2HD1 LEU 20 -2.725 2.260 1.867
118 HD13 LEU 20 3HD1 LEU 20 -1.526 3.082 2.866
119 HD21 LEU 20 3HD2 LEU 20 -0.496 -0.457 1.659
120 HD22 LEU 20 1HD2 LEU 20 -0.097 0.433 3.128
121 HD23 LEU 20 2HD2 LEU 20 1.023 0.434 1.766
122 H ILE 21 H ILE 21 0.232 2.787 -1.984
123 HA ILE 21 HA ILE 21 1.559 4.824 -0.596
124 HB ILE 21 HB ILE 21 1.847 4.027 -3.494
125 HG12 ILE 21 1HG1 ILE 21 3.751 3.270 -1.314
126 HG13 ILE 21 2HG1 ILE 21 2.250 2.367 -1.487
127 HG21 ILE 21 1HG2 ILE 21 3.387 5.607 -3.739
128 HG22 ILE 21 2HG2 ILE 21 2.912 6.249 -2.167
129 HG23 ILE 21 3HG2 ILE 21 4.227 5.080 -2.281
130 HD11 ILE 21 3HD1 ILE 21 3.735 2.745 -3.980
131 HD12 ILE 21 1HD1 ILE 21 4.568 1.785 -2.758
132 HD13 ILE 21 2HD1 ILE 21 2.966 1.303 -3.317
133 H ASP 22 H ASP 22 0.054 5.095 -3.821
134 HA ASP 22 HA ASP 22 0.178 7.756 -4.248
135 HB2 ASP 22 1HB ASP 22 -0.927 6.004 -5.713
136 HB3 ASP 22 2HB ASP 22 -2.375 6.218 -4.732
137 H ALA 23 H ALA 23 -2.108 6.128 -2.109
138 HA ALA 23 HA ALA 23 -3.575 8.492 -1.463
139 HB1 ALA 23 3HB ALA 23 -4.050 6.763 0.608
140 HB2 ALA 23 1HB ALA 23 -4.953 6.823 -0.906
141 HB3 ALA 23 2HB ALA 23 -3.629 5.673 -0.713
142 H CYS 24 H CYS 24 -1.007 6.648 0.147
143 HA CYS 24 HA CYS 24 -0.868 7.998 2.547
144 HB2 CYS 24 1HB CYS 24 1.396 6.871 0.888
145 HB3 CYS 24 2HB CYS 24 1.546 7.361 2.571
146 HG CYS 24 HG CYS 24 -0.966 5.343 2.510
147 H GLU 25 H GLU 25 0.472 8.918 -0.582
148 HA GLU 25 HA GLU 25 1.627 11.343 0.553
149 HB2 GLU 25 1HB GLU 25 1.727 10.107 -2.196
150 HB3 GLU 25 2HB GLU 25 2.375 11.705 -1.854
151 HG2 GLU 25 1HG GLU 25 3.266 9.102 -0.637
152 HG3 GLU 25 2HG GLU 25 4.145 10.080 -1.811
153 H THR 26 H THR 26 -1.035 10.302 -1.459
154 HA THR 26 HA THR 26 -1.770 12.932 -2.327
155 HB THR 26 HB THR 26 -3.237 10.295 -2.399
156 HG1 THR 26 HG1 THR 26 -2.887 10.849 -4.755
157 HG21 THR 26 3HG2 THR 26 -4.962 11.922 -2.264
158 HG22 THR 26 1HG2 THR 26 -4.800 11.515 -3.971
159 HG23 THR 26 2HG2 THR 26 -4.111 13.016 -3.354
160 H LEU 27 H LEU 27 -3.614 10.620 -0.331
161 HA LEU 27 HA LEU 27 -5.192 12.708 0.822
162 HB2 LEU 27 1HB LEU 27 -4.931 9.852 1.744
163 HB3 LEU 27 2HB LEU 27 -6.246 10.969 2.103
164 HG LEU 27 HG LEU 27 -5.612 9.915 -0.651
165 HD11 LEU 27 1HD1 LEU 27 -8.030 8.868 0.096
166 HD12 LEU 27 2HD1 LEU 27 -7.083 8.745 1.579
167 HD13 LEU 27 3HD1 LEU 27 -6.493 8.003 0.092
168 HD21 LEU 27 3HD2 LEU 27 -7.119 12.112 0.164
169 HD22 LEU 27 1HD2 LEU 27 -8.300 10.843 -0.164
170 HD23 LEU 27 2HD2 LEU 27 -7.152 11.324 -1.414
171 H GLY 28 H GLY 28 -2.581 10.611 2.004
172 HA2 GLY 28 1HA GLY 28 -0.902 11.593 3.467
173 HA3 GLY 28 2HA GLY 28 -2.187 12.535 4.208
174 H LEU 29 H LEU 29 -0.142 10.265 4.982
175 HA LEU 29 HA LEU 29 -1.651 8.098 5.942
176 HB2 LEU 29 1HB LEU 29 0.999 9.253 6.756
177 HB3 LEU 29 2HB LEU 29 0.318 7.828 7.537
178 HG LEU 29 HG LEU 29 0.656 7.849 4.570
179 HD11 LEU 29 1HD1 LEU 29 2.789 8.607 5.871
180 HD12 LEU 29 2HD1 LEU 29 2.905 7.378 4.612
181 HD13 LEU 29 3HD1 LEU 29 2.886 6.902 6.310
182 HD21 LEU 29 3HD2 LEU 29 0.900 5.474 4.889
183 HD22 LEU 29 1HD2 LEU 29 -0.544 6.025 5.738
184 HD23 LEU 29 2HD2 LEU 29 0.930 5.674 6.642
185 H GLY 30 H GLY 30 -1.047 11.280 7.233
186 HA2 GLY 30 1HA GLY 30 -1.473 11.107 9.897
187 HA3 GLY 30 2HA GLY 30 -2.181 12.386 8.921
188 H ASN 31 H ASN 31 -3.904 10.595 7.413
189 HA ASN 31 HA ASN 31 -5.750 9.695 9.518
190 HB2 ASN 31 1HB ASN 31 -6.339 11.970 8.506
191 HB3 ASN 31 2HB ASN 31 -6.689 11.096 7.018
192 HD21 ASN 31 1HD2 ASN 31 -8.799 12.205 7.565
193 HD22 ASN 31 2HD2 ASN 31 -9.926 11.291 8.501
194 H TRP 32 H TRP 32 -5.145 7.548 9.115
195 HA TRP 32 HA TRP 32 -4.980 6.290 6.648
196 HB2 TRP 32 1HB TRP 32 -5.800 5.210 9.347
197 HB3 TRP 32 2HB TRP 32 -5.542 4.185 7.937
198 HD1 TRP 32 HD1 TRP 32 -3.700 5.963 10.690
199 HE1 TRP 32 HE1 TRP 32 -1.175 5.515 10.468
200 HE3 TRP 32 HE3 TRP 32 -3.662 3.799 6.058
201 HZ2 TRP 32 HZ2 TRP 32 0.598 4.394 8.580
202 HZ3 TRP 32 HZ3 TRP 32 -1.510 3.068 5.115
203 HH2 TRP 32 HH2 TRP 32 0.575 3.361 6.352
204 H ALA 33 H ALA 33 -7.796 6.969 8.647
205 HA ALA 33 HA ALA 33 -9.763 5.428 7.621
206 HB1 ALA 33 3HB ALA 33 -10.698 6.816 9.124
207 HB2 ALA 33 1HB ALA 33 -9.668 8.173 8.669
208 HB3 ALA 33 2HB ALA 33 -11.091 7.783 7.703
209 H ASP 34 H ASP 34 -8.323 8.243 6.047
210 HA ASP 34 HA ASP 34 -10.097 8.184 3.802
211 HB2 ASP 34 1HB ASP 34 -7.500 9.610 4.358
212 HB3 ASP 34 2HB ASP 34 -8.319 9.734 2.804
213 H ILE 35 H ILE 35 -6.753 7.135 4.365
214 HA ILE 35 HA ILE 35 -6.165 6.257 1.786
215 HB ILE 35 HB ILE 35 -5.181 5.124 4.407
216 HG12 ILE 35 1HG1 ILE 35 -3.945 7.185 2.569
217 HG13 ILE 35 2HG1 ILE 35 -4.756 7.546 4.089
218 HG21 ILE 35 1HG2 ILE 35 -3.405 4.954 2.110
219 HG22 ILE 35 2HG2 ILE 35 -3.845 3.725 3.294
220 HG23 ILE 35 3HG2 ILE 35 -4.888 4.022 1.903
221 HD11 ILE 35 3HD1 ILE 35 -2.217 7.460 4.092
222 HD12 ILE 35 1HD1 ILE 35 -3.060 6.562 5.354
223 HD13 ILE 35 2HD1 ILE 35 -2.394 5.711 3.961
224 H ALA 36 H ALA 36 -7.763 4.586 4.458
225 HA ALA 36 HA ALA 36 -7.867 2.020 3.374
226 HB1 ALA 36 3HB ALA 36 -10.211 2.968 4.921
227 HB2 ALA 36 1HB ALA 36 -9.250 1.500 5.101
228 HB3 ALA 36 2HB ALA 36 -8.634 3.039 5.706
229 H ASP 37 H ASP 37 -10.244 4.658 3.122
230 HA ASP 37 HA ASP 37 -12.063 3.262 1.485
231 HB2 ASP 37 1HB ASP 37 -12.415 5.444 2.808
232 HB3 ASP 37 2HB ASP 37 -11.704 6.250 1.413
233 H TYR 38 H TYR 38 -9.050 4.761 0.813
234 HA TYR 38 HA TYR 38 -9.564 5.038 -2.030
235 HB2 TYR 38 1HB TYR 38 -8.138 6.658 -0.737
236 HB3 TYR 38 2HB TYR 38 -6.943 5.378 -0.564
237 HD1 TYR 38 HD1 TYR 38 -5.721 4.546 -2.538
238 HD2 TYR 38 HD2 TYR 38 -8.410 7.832 -2.810
239 HE1 TYR 38 HE1 TYR 38 -4.739 5.163 -4.708
240 HE2 TYR 38 HE2 TYR 38 -7.436 8.457 -4.980
241 HH TYR 38 HH TYR 38 -4.534 7.316 -6.089
242 H VAL 39 H VAL 39 -7.791 2.926 0.158
243 HA VAL 39 HA VAL 39 -6.629 1.384 -1.990
244 HB VAL 39 HB VAL 39 -6.686 0.912 0.993
245 HG11 VAL 39 1HG1 VAL 39 -4.639 -0.600 0.090
246 HG12 VAL 39 2HG1 VAL 39 -6.264 -1.219 0.390
247 HG13 VAL 39 3HG1 VAL 39 -5.777 -0.772 -1.245
248 HG21 VAL 39 3HG2 VAL 39 -4.343 1.582 0.909
249 HG22 VAL 39 1HG2 VAL 39 -4.471 1.847 -0.830
250 HG23 VAL 39 2HG2 VAL 39 -5.383 2.863 0.286
251 H GLY 40 H GLY 40 -8.607 0.310 0.777
252 HA2 GLY 40 1HA GLY 40 -10.441 -1.089 0.852
253 HA3 GLY 40 2HA GLY 40 -10.580 -0.922 -0.891
254 H ASN 41 H ASN 41 -10.536 -2.843 -1.833
255 HA ASN 41 HA ASN 41 -10.046 -5.021 -2.291
256 HB2 ASN 41 1HB ASN 41 -7.273 -4.598 -1.240
257 HB3 ASN 41 2HB ASN 41 -7.800 -5.467 -2.678
258 HD21 ASN 41 1HD2 ASN 41 -6.266 -2.781 -1.636
259 HD22 ASN 41 2HD2 ASN 41 -6.513 -1.749 -3.000
260 H ALA 42 H ALA 42 -11.372 -4.912 0.014
261 HA ALA 42 HA ALA 42 -11.872 -6.122 1.876
262 HB1 ALA 42 3HB ALA 42 -9.602 -7.849 0.901
263 HB2 ALA 42 1HB ALA 42 -10.701 -8.277 2.213
264 HB3 ALA 42 2HB ALA 42 -11.321 -8.070 0.574
265 H ARG 43 H ARG 43 -10.012 -3.886 2.001
266 HA ARG 43 HA ARG 43 -8.518 -4.655 4.423
267 HB2 ARG 43 1HB ARG 43 -7.764 -2.420 2.538
268 HB3 ARG 43 2HB ARG 43 -6.819 -3.052 3.879
269 HG2 ARG 43 1HG ARG 43 -7.557 -4.704 1.481
270 HG3 ARG 43 2HG ARG 43 -6.078 -3.746 1.579
271 HD2 ARG 43 1HD ARG 43 -5.330 -5.001 3.488
272 HD3 ARG 43 2HD ARG 43 -6.865 -5.863 3.574
273 HE ARG 43 HE ARG 43 -5.423 -6.174 1.089
274 HH11 ARG 43 1HH1 ARG 43 -6.009 -7.419 4.287
275 HH12 ARG 43 2HH1 ARG 43 -5.476 -9.022 3.902
276 HH21 ARG 43 1HH2 ARG 43 -4.720 -8.281 0.570
277 HH22 ARG 43 2HH2 ARG 43 -4.742 -9.511 1.788
278 H THR 44 H THR 44 -7.871 -2.352 5.532
279 HA THR 44 HA THR 44 -9.887 -0.351 5.508
280 HB THR 44 HB THR 44 -11.194 -2.116 6.622
281 HG1 THR 44 HG1 THR 44 -11.307 0.198 7.239
282 HG21 THR 44 3HG2 THR 44 -8.796 -2.754 7.862
283 HG22 THR 44 1HG2 THR 44 -10.381 -3.428 8.241
284 HG23 THR 44 2HG2 THR 44 -9.770 -2.047 9.151
285 H LYS 45 H LYS 45 -9.533 1.302 7.151
286 HA LYS 45 HA LYS 45 -7.009 2.207 7.412
287 HB2 LYS 45 1HB LYS 45 -7.747 3.475 9.411
288 HB3 LYS 45 2HB LYS 45 -8.901 3.551 8.086
289 HG2 LYS 45 1HG LYS 45 -10.287 1.874 9.177
290 HG3 LYS 45 2HG LYS 45 -9.120 1.756 10.496
291 HD2 LYS 45 1HD LYS 45 -9.516 4.089 11.074
292 HD3 LYS 45 2HD LYS 45 -10.644 4.246 9.724
293 HE2 LYS 45 1HE LYS 45 -10.980 2.345 12.042
294 HE3 LYS 45 2HE LYS 45 -11.761 3.921 11.914
295 HZ1 LYS 45 3HZ LYS 45 -12.478 2.851 9.600
296 HZ2 LYS 45 1HZ LYS 45 -13.392 2.679 11.013
297 HZ3 LYS 45 2HZ LYS 45 -12.354 1.438 10.521
298 H GLU 46 H GLU 46 -8.619 0.040 9.719
299 HA GLU 46 HA GLU 46 -6.513 -0.128 11.566
300 HB2 GLU 46 1HB GLU 46 -8.781 -1.991 10.891
301 HB3 GLU 46 2HB GLU 46 -7.613 -2.368 12.149
302 HG2 GLU 46 1HG GLU 46 -9.068 0.239 12.181
303 HG3 GLU 46 2HG GLU 46 -9.846 -1.227 12.774
304 H GLU 47 H GLU 47 -7.196 -1.926 8.618
305 HA GLU 47 HA GLU 47 -4.950 -3.713 9.037
306 HB2 GLU 47 1HB GLU 47 -7.035 -3.431 6.890
307 HB3 GLU 47 2HB GLU 47 -5.627 -4.457 6.656
308 HG2 GLU 47 1HG GLU 47 -7.774 -4.735 8.739
309 HG3 GLU 47 2HG GLU 47 -7.411 -5.830 7.406
310 H CYS 48 H CYS 48 -5.877 -1.605 6.311
311 HA CYS 48 HA CYS 48 -3.554 -1.519 4.928
312 HB2 CYS 48 1HB CYS 48 -5.501 0.715 5.491
313 HB3 CYS 48 2HB CYS 48 -4.163 0.894 4.362
314 HG CYS 48 HG CYS 48 -5.313 -0.205 2.344
315 H ARG 49 H ARG 49 -4.236 0.138 7.944
316 HA ARG 49 HA ARG 49 -2.014 1.855 7.990
317 HB2 ARG 49 1HB ARG 49 -3.753 2.270 9.547
318 HB3 ARG 49 2HB ARG 49 -3.686 0.629 10.174
319 HG2 ARG 49 1HG ARG 49 -1.769 1.039 11.408
320 HG3 ARG 49 2HG ARG 49 -1.328 2.445 10.438
321 HD2 ARG 49 1HD ARG 49 -3.484 3.498 11.347
322 HD3 ARG 49 2HD ARG 49 -3.451 2.204 12.543
323 HE ARG 49 HE ARG 49 -0.945 3.397 12.560
324 HH11 ARG 49 1HH1 ARG 49 -4.242 4.276 13.251
325 HH12 ARG 49 2HH1 ARG 49 -3.814 5.463 14.438
326 HH21 ARG 49 1HH2 ARG 49 -0.369 4.957 14.121
327 HH22 ARG 49 2HH2 ARG 49 -1.611 5.850 14.932
328 H ASP 50 H ASP 50 -2.367 -1.001 10.084
329 HA ASP 50 HA ASP 50 0.312 -1.270 10.722
330 HB2 ASP 50 1HB ASP 50 -1.526 -3.639 10.427
331 HB3 ASP 50 2HB ASP 50 -0.215 -3.410 11.581
332 H HIS 51 H HIS 51 -1.450 -2.471 7.933
333 HA HIS 51 HA HIS 51 0.356 -4.305 6.916
334 HB2 HIS 51 1HB HIS 51 -1.668 -4.223 5.771
335 HB3 HIS 51 2HB HIS 51 -1.641 -2.467 5.643
336 HD1 HIS 51 HD1 HIS 51 0.484 -5.340 4.312
337 HD2 HIS 51 HD2 HIS 51 -1.080 -1.677 3.130
338 HE1 HIS 51 HE1 HIS 51 1.179 -5.056 1.912
339 HE2 HIS 51 HE2 HIS 51 0.294 -2.794 1.244
340 H TYR 52 H TYR 52 0.354 -0.788 6.645
341 HA TYR 52 HA TYR 52 2.644 -0.744 4.899
342 HB2 TYR 52 1HB TYR 52 0.869 1.005 4.845
343 HB3 TYR 52 2HB TYR 52 1.388 1.535 6.441
344 HD1 TYR 52 HD2 TYR 52 4.052 1.974 6.556
345 HD2 TYR 52 HD1 TYR 52 1.648 2.220 3.054
346 HE1 TYR 52 HE2 TYR 52 5.718 3.461 5.524
347 HE2 TYR 52 HE1 TYR 52 3.307 3.707 2.012
348 HH TYR 52 HH TYR 52 5.891 5.107 3.787
349 H LEU 53 H LEU 53 2.010 -0.049 8.315
350 HA LEU 53 HA LEU 53 4.658 0.734 8.948
351 HB2 LEU 53 1HB LEU 53 2.427 -0.318 10.677
352 HB3 LEU 53 2HB LEU 53 3.948 0.315 11.304
353 HG LEU 53 HG LEU 53 2.133 1.984 9.587
354 HD11 LEU 53 1HD1 LEU 53 1.057 0.978 11.728
355 HD12 LEU 53 2HD1 LEU 53 0.899 2.702 11.397
356 HD13 LEU 53 3HD1 LEU 53 2.088 2.135 12.569
357 HD21 LEU 53 3HD2 LEU 53 3.305 3.722 11.155
358 HD22 LEU 53 1HD2 LEU 53 4.145 3.080 9.743
359 HD23 LEU 53 2HD2 LEU 53 4.498 2.436 11.347
360 H LYS 54 H LYS 54 3.422 -2.239 8.094
361 HA LYS 54 HA LYS 54 5.506 -3.687 9.587
362 HB2 LYS 54 1HB LYS 54 4.193 -5.624 9.509
363 HB3 LYS 54 2HB LYS 54 3.029 -4.343 9.818
364 HG2 LYS 54 1HG LYS 54 2.232 -4.392 7.604
365 HG3 LYS 54 2HG LYS 54 3.599 -5.362 7.052
366 HD2 LYS 54 1HD LYS 54 1.863 -6.482 9.189
367 HD3 LYS 54 2HD LYS 54 1.226 -6.436 7.544
368 HE2 LYS 54 1HE LYS 54 2.320 -8.564 7.985
369 HE3 LYS 54 2HE LYS 54 3.196 -7.657 6.753
370 HZ1 LYS 54 3HZ LYS 54 4.655 -8.694 8.423
371 HZ2 LYS 54 1HZ LYS 54 3.945 -7.737 9.624
372 HZ3 LYS 54 2HZ LYS 54 4.820 -7.011 8.372
373 H THR 55 H THR 55 4.236 -2.939 6.431
374 HA THR 55 HA THR 55 6.043 -4.783 5.095
375 HB THR 55 HB THR 55 4.049 -2.794 3.995
376 HG1 THR 55 HG1 THR 55 3.404 -4.888 5.065
377 HG21 THR 55 3HG2 THR 55 5.496 -2.900 2.221
378 HG22 THR 55 1HG2 THR 55 4.522 -4.332 1.892
379 HG23 THR 55 2HG2 THR 55 6.098 -4.496 2.666
380 H TYR 56 H TYR 56 5.464 -1.263 5.080
381 HA TYR 56 HA TYR 56 7.921 -0.736 3.691
382 HB2 TYR 56 1HB TYR 56 5.871 1.048 5.003
383 HB3 TYR 56 2HB TYR 56 7.329 1.677 4.243
384 HD1 TYR 56 HD1 TYR 56 4.392 -0.506 3.503
385 HD2 TYR 56 HD2 TYR 56 7.277 2.232 1.992
386 HE1 TYR 56 HE1 TYR 56 3.249 -0.513 1.325
387 HE2 TYR 56 HE2 TYR 56 6.142 2.233 -0.190
388 HH TYR 56 HH TYR 56 3.417 0.090 -0.844
389 H ILE 57 H ILE 57 6.766 0.347 6.890
390 HA ILE 57 HA ILE 57 9.256 1.177 7.842
391 HB ILE 57 HB ILE 57 6.758 0.303 9.268
392 HG12 ILE 57 1HG1 ILE 57 6.430 2.617 9.670
393 HG13 ILE 57 2HG1 ILE 57 8.092 3.006 9.239
394 HG21 ILE 57 1HG2 ILE 57 9.337 1.259 10.498
395 HG22 ILE 57 2HG2 ILE 57 7.795 1.183 11.348
396 HG23 ILE 57 3HG2 ILE 57 8.547 -0.297 10.752
397 HD11 ILE 57 3HD1 ILE 57 7.621 2.457 6.914
398 HD12 ILE 57 1HD1 ILE 57 5.959 2.053 7.343
399 HD13 ILE 57 2HD1 ILE 57 6.536 3.711 7.513
400 H GLU 58 H GLU 58 7.508 -1.796 8.771
401 HA GLU 58 HA GLU 58 9.942 -2.950 9.823
402 HB2 GLU 58 1HB GLU 58 7.445 -3.209 10.655
403 HB3 GLU 58 2HB GLU 58 7.430 -4.530 9.495
404 HG2 GLU 58 1HG GLU 58 7.986 -5.130 11.879
405 HG3 GLU 58 2HG GLU 58 9.105 -5.704 10.644
Start of MODEL 5
1 H1 GLY 1 H GLY 1 10.073 2.382 -11.389
2 HA2 GLY 1 1HA GLY 1 9.546 3.730 -8.830
3 HA3 GLY 1 2HA GLY 1 10.144 2.088 -9.017
4 H SER 2 H SER 2 11.667 2.951 -7.337
5 HA SER 2 HA SER 2 14.008 4.125 -8.680
6 HB2 SER 2 1HB SER 2 14.541 5.326 -6.569
7 HB3 SER 2 2HB SER 2 13.026 5.865 -7.292
8 HG SER 2 HG SER 2 11.915 4.585 -5.790
9 H SER 3 H SER 3 12.948 2.412 -5.742
10 HA SER 3 HA SER 3 15.465 0.881 -5.840
11 HB2 SER 3 1HB SER 3 15.285 2.255 -3.818
12 HB3 SER 3 2HB SER 3 13.726 1.520 -3.443
13 HG SER 3 HG SER 3 15.830 0.666 -2.466
14 H GLY 4 H GLY 4 15.329 -1.240 -6.191
15 HA2 GLY 4 1HA GLY 4 13.186 -2.620 -7.068
16 HA3 GLY 4 2HA GLY 4 14.478 -3.394 -6.163
17 H SER 5 H SER 5 11.322 -3.392 -6.321
18 HA SER 5 HA SER 5 10.204 -2.713 -3.914
19 HB2 SER 5 1HB SER 5 8.954 -3.639 -5.852
20 HB3 SER 5 2HB SER 5 9.593 -5.238 -5.470
21 HG SER 5 HG SER 5 8.612 -4.686 -3.271
22 H SER 6 H SER 6 11.138 -3.061 -1.995
23 HA SER 6 HA SER 6 12.361 -5.653 -1.425
24 HB2 SER 6 1HB SER 6 13.311 -4.584 0.541
25 HB3 SER 6 2HB SER 6 13.599 -3.566 -0.870
26 HG SER 6 HG SER 6 11.398 -2.649 -0.041
27 H GLY 7 H GLY 7 11.539 -7.114 -0.031
28 HA2 GLY 7 1HA GLY 7 9.779 -6.598 2.082
29 HA3 GLY 7 2HA GLY 7 8.810 -7.005 0.674
30 H PHE 8 H PHE 8 9.749 -8.322 3.374
31 HA PHE 8 HA PHE 8 10.991 -10.755 2.519
32 HB2 PHE 8 1HB PHE 8 9.552 -10.191 5.119
33 HB3 PHE 8 2HB PHE 8 10.694 -11.495 4.811
34 HD1 PHE 8 HD1 PHE 8 10.305 -7.917 5.433
35 HD2 PHE 8 HD2 PHE 8 13.071 -11.068 4.695
36 HE1 PHE 8 HE1 PHE 8 12.151 -6.465 6.166
37 HE2 PHE 8 HE2 PHE 8 14.920 -9.621 5.428
38 HZ PHE 8 HZ PHE 8 14.462 -7.316 6.166
39 H ASP 9 H ASP 9 7.707 -9.688 3.126
40 HA ASP 9 HA ASP 9 6.740 -12.213 1.980
41 HB2 ASP 9 1HB ASP 9 5.497 -10.823 4.364
42 HB3 ASP 9 2HB ASP 9 4.897 -12.285 3.584
43 H GLU 10 H GLU 10 6.166 -11.398 0.023
44 HA GLU 10 HA GLU 10 4.556 -8.966 -0.098
45 HB2 GLU 10 1HB GLU 10 5.765 -10.670 -2.282
46 HB3 GLU 10 2HB GLU 10 4.832 -9.206 -2.561
47 HG2 GLU 10 1HG GLU 10 6.570 -8.070 -1.040
48 HG3 GLU 10 2HG GLU 10 7.548 -9.503 -1.350
49 H ASN 11 H ASN 11 2.668 -9.881 0.882
50 HA ASN 11 HA ASN 11 1.293 -11.999 -0.562
51 HB2 ASN 11 1HB ASN 11 0.814 -10.561 2.031
52 HB3 ASN 11 2HB ASN 11 -0.476 -11.499 1.286
53 HD21 ASN 11 1HD2 ASN 11 0.397 -12.197 3.737
54 HD22 ASN 11 2HD2 ASN 11 1.292 -13.673 3.663
55 H TRP 12 H TRP 12 0.821 -8.581 0.250
56 HA TRP 12 HA TRP 12 -1.672 -8.161 -0.860
57 HB2 TRP 12 1HB TRP 12 0.731 -6.416 -0.485
58 HB3 TRP 12 2HB TRP 12 -0.642 -5.800 -1.400
59 HD1 TRP 12 HD1 TRP 12 -0.647 -7.876 1.882
60 HE1 TRP 12 HE1 TRP 12 -2.000 -6.570 3.639
61 HE3 TRP 12 HE3 TRP 12 -1.675 -3.675 -0.844
62 HZ2 TRP 12 HZ2 TRP 12 -3.328 -4.087 3.842
63 HZ3 TRP 12 HZ3 TRP 12 -2.993 -1.881 0.205
64 HH2 TRP 12 HH2 TRP 12 -3.802 -2.085 2.499
65 H GLY 13 H GLY 13 -1.715 -6.432 -2.879
66 HA2 GLY 13 1HA GLY 13 -0.353 -7.806 -5.111
67 HA3 GLY 13 2HA GLY 13 -2.055 -7.376 -5.194
68 H ALA 14 H ALA 14 0.000 -6.556 -7.013
69 HA ALA 14 HA ALA 14 1.139 -4.105 -6.688
70 HB1 ALA 14 3HB ALA 14 -0.300 -5.026 -9.172
71 HB2 ALA 14 1HB ALA 14 0.951 -3.786 -9.087
72 HB3 ALA 14 2HB ALA 14 1.347 -5.465 -8.720
73 H ASP 15 H ASP 15 -2.259 -4.815 -7.117
74 HA ASP 15 HA ASP 15 -3.124 -2.182 -7.689
75 HB2 ASP 15 1HB ASP 15 -4.717 -4.364 -6.333
76 HB3 ASP 15 2HB ASP 15 -5.350 -2.987 -7.231
77 H GLU 16 H GLU 16 -3.776 -3.996 -4.692
78 HA GLU 16 HA GLU 16 -4.333 -1.710 -3.160
79 HB2 GLU 16 1HB GLU 16 -4.067 -3.233 -1.199
80 HB3 GLU 16 2HB GLU 16 -5.149 -3.848 -2.440
81 HG2 GLU 16 1HG GLU 16 -2.294 -4.655 -2.539
82 HG3 GLU 16 2HG GLU 16 -3.330 -5.373 -1.307
83 H GLU 17 H GLU 17 -1.378 -2.986 -4.233
84 HA GLU 17 HA GLU 17 0.210 -1.905 -2.064
85 HB2 GLU 17 1HB GLU 17 0.812 -3.395 -4.594
86 HB3 GLU 17 2HB GLU 17 2.101 -2.541 -3.757
87 HG2 GLU 17 1HG GLU 17 1.161 -3.863 -1.681
88 HG3 GLU 17 2HG GLU 17 0.575 -4.950 -2.939
89 H LEU 18 H LEU 18 -0.678 -1.059 -5.353
90 HA LEU 18 HA LEU 18 1.151 1.137 -5.552
91 HB2 LEU 18 1HB LEU 18 0.628 0.432 -7.643
92 HB3 LEU 18 2HB LEU 18 -1.015 -0.025 -7.196
93 HG LEU 18 HG LEU 18 -1.475 2.508 -7.127
94 HD11 LEU 18 1HD1 LEU 18 1.269 2.408 -8.184
95 HD12 LEU 18 2HD1 LEU 18 0.418 3.704 -7.345
96 HD13 LEU 18 3HD1 LEU 18 0.147 3.443 -9.067
97 HD21 LEU 18 3HD2 LEU 18 -2.381 2.328 -9.196
98 HD22 LEU 18 1HD2 LEU 18 -1.949 0.633 -8.968
99 HD23 LEU 18 2HD2 LEU 18 -0.900 1.691 -9.913
100 H LEU 19 H LEU 19 -2.307 0.797 -4.860
101 HA LEU 19 HA LEU 19 -2.920 3.534 -4.727
102 HB2 LEU 19 1HB LEU 19 -4.184 1.219 -3.266
103 HB3 LEU 19 2HB LEU 19 -4.882 2.831 -3.417
104 HG LEU 19 HG LEU 19 -4.297 1.052 -5.777
105 HD11 LEU 19 1HD1 LEU 19 -6.595 1.111 -3.909
106 HD12 LEU 19 2HD1 LEU 19 -5.925 -0.224 -4.846
107 HD13 LEU 19 3HD1 LEU 19 -6.949 0.977 -5.632
108 HD21 LEU 19 3HD2 LEU 19 -4.662 3.680 -5.818
109 HD22 LEU 19 1HD2 LEU 19 -6.355 3.189 -5.755
110 HD23 LEU 19 2HD2 LEU 19 -5.321 2.623 -7.067
111 H LEU 20 H LEU 20 -2.212 1.239 -2.091
112 HA LEU 20 HA LEU 20 -2.370 2.750 0.117
113 HB2 LEU 20 1HB LEU 20 -1.554 0.420 0.037
114 HB3 LEU 20 2HB LEU 20 0.005 1.011 -0.533
115 HG LEU 20 HG LEU 20 0.406 2.114 1.578
116 HD11 LEU 20 1HD1 LEU 20 -2.362 1.167 2.292
117 HD12 LEU 20 2HD1 LEU 20 -1.793 2.832 2.177
118 HD13 LEU 20 3HD1 LEU 20 -1.193 1.782 3.461
119 HD21 LEU 20 3HD2 LEU 20 -0.380 -0.313 2.852
120 HD22 LEU 20 1HD2 LEU 20 1.226 0.197 2.331
121 HD23 LEU 20 2HD2 LEU 20 0.174 -0.677 1.217
122 H ILE 21 H ILE 21 0.418 2.790 -2.091
123 HA ILE 21 HA ILE 21 1.809 4.826 -0.676
124 HB ILE 21 HB ILE 21 2.110 3.925 -3.543
125 HG12 ILE 21 1HG1 ILE 21 3.891 3.238 -1.212
126 HG13 ILE 21 2HG1 ILE 21 2.489 2.256 -1.624
127 HG21 ILE 21 1HG2 ILE 21 3.140 6.207 -2.328
128 HG22 ILE 21 2HG2 ILE 21 4.467 5.047 -2.313
129 HG23 ILE 21 3HG2 ILE 21 3.683 5.470 -3.835
130 HD11 ILE 21 3HD1 ILE 21 4.691 2.883 -3.567
131 HD12 ILE 21 1HD1 ILE 21 4.679 1.456 -2.531
132 HD13 ILE 21 2HD1 ILE 21 3.407 1.686 -3.730
133 H ASP 22 H ASP 22 -0.006 4.879 -3.744
134 HA ASP 22 HA ASP 22 0.188 7.516 -4.412
135 HB2 ASP 22 1HB ASP 22 -1.921 5.455 -4.786
136 HB3 ASP 22 2HB ASP 22 -2.369 7.127 -5.115
137 H ALA 23 H ALA 23 -1.949 6.091 -1.992
138 HA ALA 23 HA ALA 23 -3.297 8.548 -1.402
139 HB1 ALA 23 3HB ALA 23 -3.230 5.842 -0.116
140 HB2 ALA 23 1HB ALA 23 -4.042 7.203 0.658
141 HB3 ALA 23 2HB ALA 23 -4.566 6.652 -0.934
142 H CYS 24 H CYS 24 -0.805 6.623 0.257
143 HA CYS 24 HA CYS 24 -0.420 8.044 2.540
144 HB2 CYS 24 1HB CYS 24 0.963 6.195 2.359
145 HB3 CYS 24 2HB CYS 24 1.477 6.608 0.728
146 HG CYS 24 HG CYS 24 2.709 7.674 3.692
147 H GLU 25 H GLU 25 0.746 8.899 -0.683
148 HA GLU 25 HA GLU 25 1.945 11.351 0.340
149 HB2 GLU 25 1HB GLU 25 2.069 9.838 -2.222
150 HB3 GLU 25 2HB GLU 25 2.352 11.572 -2.283
151 HG2 GLU 25 1HG GLU 25 3.834 9.807 -0.370
152 HG3 GLU 25 2HG GLU 25 4.372 10.036 -2.032
153 H THR 26 H THR 26 -0.809 10.257 -1.508
154 HA THR 26 HA THR 26 -1.588 12.890 -2.366
155 HB THR 26 HB THR 26 -3.026 10.235 -2.437
156 HG1 THR 26 HG1 THR 26 -1.294 10.510 -3.923
157 HG21 THR 26 3HG2 THR 26 -4.707 11.961 -2.239
158 HG22 THR 26 1HG2 THR 26 -4.672 11.378 -3.903
159 HG23 THR 26 2HG2 THR 26 -3.920 12.920 -3.493
160 H LEU 27 H LEU 27 -3.401 10.527 -0.407
161 HA LEU 27 HA LEU 27 -4.973 12.567 0.819
162 HB2 LEU 27 1HB LEU 27 -4.638 9.688 1.647
163 HB3 LEU 27 2HB LEU 27 -5.938 10.775 2.132
164 HG LEU 27 HG LEU 27 -5.453 9.789 -0.678
165 HD11 LEU 27 1HD1 LEU 27 -7.836 8.772 0.039
166 HD12 LEU 27 2HD1 LEU 27 -7.000 8.721 1.591
167 HD13 LEU 27 3HD1 LEU 27 -6.312 7.897 0.192
168 HD21 LEU 27 3HD2 LEU 27 -7.846 10.681 -0.909
169 HD22 LEU 27 1HD2 LEU 27 -6.527 11.851 -0.883
170 HD23 LEU 27 2HD2 LEU 27 -7.504 11.592 0.563
171 H GLY 28 H GLY 28 -2.307 10.500 1.930
172 HA2 GLY 28 1HA GLY 28 -0.617 11.339 3.402
173 HA3 GLY 28 2HA GLY 28 -1.796 12.465 4.057
174 H LEU 29 H LEU 29 -0.131 9.670 4.655
175 HA LEU 29 HA LEU 29 -1.795 7.879 5.852
176 HB2 LEU 29 1HB LEU 29 0.887 8.851 6.819
177 HB3 LEU 29 2HB LEU 29 0.066 7.430 7.461
178 HG LEU 29 HG LEU 29 0.923 7.742 4.586
179 HD11 LEU 29 1HD1 LEU 29 2.849 7.711 6.121
180 HD12 LEU 29 2HD1 LEU 29 2.763 6.267 5.113
181 HD13 LEU 29 3HD1 LEU 29 2.259 6.194 6.801
182 HD21 LEU 29 3HD2 LEU 29 -0.777 5.888 5.950
183 HD22 LEU 29 1HD2 LEU 29 0.668 5.054 5.377
184 HD23 LEU 29 2HD2 LEU 29 -0.341 5.952 4.242
185 H GLY 30 H GLY 30 -1.187 11.114 6.852
186 HA2 GLY 30 1HA GLY 30 -1.584 11.193 9.537
187 HA3 GLY 30 2HA GLY 30 -2.284 12.377 8.443
188 H ASN 31 H ASN 31 -4.001 10.418 7.117
189 HA ASN 31 HA ASN 31 -5.845 9.713 9.291
190 HB2 ASN 31 1HB ASN 31 -6.361 11.940 8.023
191 HB3 ASN 31 2HB ASN 31 -6.910 10.871 6.735
192 HD21 ASN 31 1HD2 ASN 31 -8.857 9.933 6.889
193 HD22 ASN 31 2HD2 ASN 31 -9.923 10.099 8.238
194 H TRP 32 H TRP 32 -5.397 7.534 9.061
195 HA TRP 32 HA TRP 32 -5.261 6.137 6.633
196 HB2 TRP 32 1HB TRP 32 -5.981 5.188 9.412
197 HB3 TRP 32 2HB TRP 32 -5.706 4.109 8.048
198 HD1 TRP 32 HD1 TRP 32 -3.887 6.097 10.675
199 HE1 TRP 32 HE1 TRP 32 -1.353 5.711 10.445
200 HE3 TRP 32 HE3 TRP 32 -3.843 3.658 6.182
201 HZ2 TRP 32 HZ2 TRP 32 0.429 4.529 8.602
202 HZ3 TRP 32 HZ3 TRP 32 -1.682 2.934 5.255
203 HH2 TRP 32 HH2 TRP 32 0.409 3.362 6.441
204 H ALA 33 H ALA 33 -7.980 6.773 8.807
205 HA ALA 33 HA ALA 33 -9.960 5.197 7.860
206 HB1 ALA 33 3HB ALA 33 -10.911 6.500 9.410
207 HB2 ALA 33 1HB ALA 33 -9.860 7.868 9.039
208 HB3 ALA 33 2HB ALA 33 -11.302 7.573 8.066
209 H ASP 34 H ASP 34 -8.719 8.109 6.288
210 HA ASP 34 HA ASP 34 -10.613 7.997 4.134
211 HB2 ASP 34 1HB ASP 34 -8.178 9.644 4.730
212 HB3 ASP 34 2HB ASP 34 -8.890 9.677 3.120
213 H ILE 35 H ILE 35 -7.219 7.101 4.572
214 HA ILE 35 HA ILE 35 -6.633 6.403 1.932
215 HB ILE 35 HB ILE 35 -5.535 5.259 4.501
216 HG12 ILE 35 1HG1 ILE 35 -4.482 7.372 2.607
217 HG13 ILE 35 2HG1 ILE 35 -5.144 7.660 4.212
218 HG21 ILE 35 1HG2 ILE 35 -3.755 5.081 2.251
219 HG22 ILE 35 2HG2 ILE 35 -4.313 3.813 3.341
220 HG23 ILE 35 3HG2 ILE 35 -5.262 4.230 1.914
221 HD11 ILE 35 3HD1 ILE 35 -2.712 5.972 3.703
222 HD12 ILE 35 1HD1 ILE 35 -2.652 7.699 4.055
223 HD13 ILE 35 2HD1 ILE 35 -3.307 6.578 5.249
224 H ALA 36 H ALA 36 -8.083 4.517 4.544
225 HA ALA 36 HA ALA 36 -8.063 1.993 3.411
226 HB1 ALA 36 3HB ALA 36 -9.212 3.176 5.650
227 HB2 ALA 36 1HB ALA 36 -10.571 2.496 4.755
228 HB3 ALA 36 2HB ALA 36 -9.224 1.463 5.233
229 H ASP 37 H ASP 37 -10.473 4.572 3.005
230 HA ASP 37 HA ASP 37 -12.187 3.100 1.304
231 HB2 ASP 37 1HB ASP 37 -12.551 5.358 2.611
232 HB3 ASP 37 2HB ASP 37 -11.984 6.079 1.107
233 H TYR 38 H TYR 38 -9.210 4.746 0.772
234 HA TYR 38 HA TYR 38 -9.587 4.986 -2.090
235 HB2 TYR 38 1HB TYR 38 -8.273 6.642 -0.713
236 HB3 TYR 38 2HB TYR 38 -7.042 5.400 -0.515
237 HD1 TYR 38 HD1 TYR 38 -5.772 4.597 -2.494
238 HD2 TYR 38 HD2 TYR 38 -8.467 7.880 -2.741
239 HE1 TYR 38 HE1 TYR 38 -4.737 5.278 -4.619
240 HE2 TYR 38 HE2 TYR 38 -7.441 8.569 -4.868
241 HH TYR 38 HH TYR 38 -4.568 7.689 -5.893
242 H VAL 39 H VAL 39 -7.858 2.928 0.182
243 HA VAL 39 HA VAL 39 -6.586 1.411 -1.933
244 HB VAL 39 HB VAL 39 -6.640 0.980 1.056
245 HG11 VAL 39 1HG1 VAL 39 -6.352 -1.120 -0.230
246 HG12 VAL 39 2HG1 VAL 39 -4.932 -0.412 -1.002
247 HG13 VAL 39 3HG1 VAL 39 -4.942 -0.695 0.739
248 HG21 VAL 39 3HG2 VAL 39 -4.330 1.770 0.978
249 HG22 VAL 39 1HG2 VAL 39 -4.472 2.028 -0.761
250 HG23 VAL 39 2HG2 VAL 39 -5.438 2.992 0.356
251 H GLY 40 H GLY 40 -8.575 0.356 0.837
252 HA2 GLY 40 1HA GLY 40 -10.268 -1.191 0.976
253 HA3 GLY 40 2HA GLY 40 -10.527 -0.950 -0.745
254 H ASN 41 H ASN 41 -10.497 -2.837 -1.758
255 HA ASN 41 HA ASN 41 -9.927 -4.948 -2.388
256 HB2 ASN 41 1HB ASN 41 -7.139 -4.471 -1.388
257 HB3 ASN 41 2HB ASN 41 -7.670 -5.322 -2.836
258 HD21 ASN 41 1HD2 ASN 41 -6.367 -2.510 -1.653
259 HD22 ASN 41 2HD2 ASN 41 -6.636 -1.488 -3.020
260 H ALA 42 H ALA 42 -11.173 -4.981 -0.019
261 HA ALA 42 HA ALA 42 -11.604 -6.373 1.734
262 HB1 ALA 42 3HB ALA 42 -9.411 -8.169 1.737
263 HB2 ALA 42 1HB ALA 42 -11.071 -8.461 1.214
264 HB3 ALA 42 2HB ALA 42 -9.871 -7.878 0.060
265 H ARG 43 H ARG 43 -9.747 -4.035 1.862
266 HA ARG 43 HA ARG 43 -8.349 -4.773 4.350
267 HB2 ARG 43 1HB ARG 43 -7.526 -2.505 2.546
268 HB3 ARG 43 2HB ARG 43 -6.609 -3.242 3.853
269 HG2 ARG 43 1HG ARG 43 -7.372 -4.731 1.359
270 HG3 ARG 43 2HG ARG 43 -5.873 -3.813 1.514
271 HD2 ARG 43 1HD ARG 43 -5.167 -5.188 3.360
272 HD3 ARG 43 2HD ARG 43 -6.716 -6.030 3.374
273 HE ARG 43 HE ARG 43 -5.379 -6.247 0.858
274 HH11 ARG 43 1HH1 ARG 43 -5.531 -7.536 4.088
275 HH12 ARG 43 2HH1 ARG 43 -4.900 -9.086 3.640
276 HH21 ARG 43 1HH2 ARG 43 -4.548 -8.284 0.255
277 HH22 ARG 43 2HH2 ARG 43 -4.341 -9.510 1.459
278 H THR 44 H THR 44 -7.758 -2.458 5.464
279 HA THR 44 HA THR 44 -9.792 -0.476 5.349
280 HB THR 44 HB THR 44 -11.182 -2.124 6.434
281 HG1 THR 44 HG1 THR 44 -11.265 0.067 7.225
282 HG21 THR 44 3HG2 THR 44 -9.833 -2.409 8.950
283 HG22 THR 44 1HG2 THR 44 -8.777 -2.948 7.645
284 HG23 THR 44 2HG2 THR 44 -10.379 -3.660 7.834
285 H LYS 45 H LYS 45 -9.566 1.131 7.128
286 HA LYS 45 HA LYS 45 -7.078 2.145 7.404
287 HB2 LYS 45 1HB LYS 45 -7.863 3.349 9.399
288 HB3 LYS 45 2HB LYS 45 -9.074 3.345 8.124
289 HG2 LYS 45 1HG LYS 45 -10.217 1.476 9.281
290 HG3 LYS 45 2HG LYS 45 -9.051 1.630 10.597
291 HD2 LYS 45 1HD LYS 45 -9.864 3.720 11.235
292 HD3 LYS 45 2HD LYS 45 -10.654 3.991 9.680
293 HE2 LYS 45 1HE LYS 45 -12.423 3.509 11.116
294 HE3 LYS 45 2HE LYS 45 -12.116 1.972 10.309
295 HZ1 LYS 45 3HZ LYS 45 -11.348 1.027 12.198
296 HZ2 LYS 45 1HZ LYS 45 -12.353 2.178 12.923
297 HZ3 LYS 45 2HZ LYS 45 -10.690 2.463 12.804
298 H GLU 46 H GLU 46 -8.594 -0.145 9.659
299 HA GLU 46 HA GLU 46 -6.516 -0.289 11.516
300 HB2 GLU 46 1HB GLU 46 -8.465 -2.449 10.689
301 HB3 GLU 46 2HB GLU 46 -7.471 -2.485 12.139
302 HG2 GLU 46 1HG GLU 46 -8.611 -0.554 13.022
303 HG3 GLU 46 2HG GLU 46 -9.543 -0.388 11.535
304 H GLU 47 H GLU 47 -7.009 -2.007 8.479
305 HA GLU 47 HA GLU 47 -4.631 -3.622 8.866
306 HB2 GLU 47 1HB GLU 47 -6.729 -3.435 6.727
307 HB3 GLU 47 2HB GLU 47 -5.224 -4.290 6.423
308 HG2 GLU 47 1HG GLU 47 -6.754 -4.962 8.877
309 HG3 GLU 47 2HG GLU 47 -7.360 -5.530 7.322
310 H CYS 48 H CYS 48 -5.689 -1.488 6.208
311 HA CYS 48 HA CYS 48 -3.360 -1.161 4.869
312 HB2 CYS 48 1HB CYS 48 -5.559 0.804 5.454
313 HB3 CYS 48 2HB CYS 48 -4.176 1.268 4.471
314 HG CYS 48 HG CYS 48 -5.500 -1.593 3.434
315 H ARG 49 H ARG 49 -4.174 0.203 7.977
316 HA ARG 49 HA ARG 49 -2.070 2.105 8.096
317 HB2 ARG 49 1HB ARG 49 -3.896 2.424 9.577
318 HB3 ARG 49 2HB ARG 49 -3.773 0.784 10.200
319 HG2 ARG 49 1HG ARG 49 -1.822 1.289 11.426
320 HG3 ARG 49 2HG ARG 49 -1.605 2.825 10.584
321 HD2 ARG 49 1HD ARG 49 -3.402 3.823 11.705
322 HD3 ARG 49 2HD ARG 49 -4.057 2.269 12.219
323 HE ARG 49 HE ARG 49 -1.463 2.748 13.302
324 HH11 ARG 49 1HH1 ARG 49 -4.841 3.502 13.678
325 HH12 ARG 49 2HH1 ARG 49 -4.714 3.822 15.376
326 HH21 ARG 49 1HH2 ARG 49 -1.284 3.167 15.537
327 HH22 ARG 49 2HH2 ARG 49 -2.690 3.633 16.432
328 H ASP 50 H ASP 50 -2.394 -0.815 10.109
329 HA ASP 50 HA ASP 50 0.289 -0.955 10.843
330 HB2 ASP 50 1HB ASP 50 -1.706 -2.199 11.849
331 HB3 ASP 50 2HB ASP 50 -1.486 -3.375 10.556
332 H HIS 51 H HIS 51 -1.418 -2.707 8.259
333 HA HIS 51 HA HIS 51 0.512 -4.326 7.269
334 HB2 HIS 51 1HB HIS 51 -1.610 -4.338 6.206
335 HB3 HIS 51 2HB HIS 51 -1.493 -2.632 5.784
336 HD1 HIS 51 HD1 HIS 51 0.370 -5.850 4.959
337 HD2 HIS 51 HD2 HIS 51 -0.744 -2.245 3.219
338 HE1 HIS 51 HE1 HIS 51 1.132 -5.994 2.567
339 HE2 HIS 51 HE2 HIS 51 0.524 -3.769 1.557
340 H TYR 52 H TYR 52 0.247 -0.843 6.702
341 HA TYR 52 HA TYR 52 2.559 -0.765 4.996
342 HB2 TYR 52 1HB TYR 52 0.796 0.863 4.658
343 HB3 TYR 52 2HB TYR 52 0.958 1.437 6.313
344 HD1 TYR 52 HD2 TYR 52 3.376 2.311 6.940
345 HD2 TYR 52 HD1 TYR 52 1.856 2.040 2.975
346 HE1 TYR 52 HE2 TYR 52 5.018 3.986 6.202
347 HE2 TYR 52 HE1 TYR 52 3.495 3.714 2.226
348 HH TYR 52 HH TYR 52 6.015 4.444 3.333
349 H LEU 53 H LEU 53 1.937 -0.520 8.386
350 HA LEU 53 HA LEU 53 4.448 0.761 9.011
351 HB2 LEU 53 1HB LEU 53 2.321 -0.505 10.725
352 HB3 LEU 53 2HB LEU 53 3.783 0.236 11.373
353 HG LEU 53 HG LEU 53 1.831 1.770 9.677
354 HD11 LEU 53 1HD1 LEU 53 1.265 2.651 12.128
355 HD12 LEU 53 2HD1 LEU 53 1.642 0.974 12.520
356 HD13 LEU 53 3HD1 LEU 53 0.370 1.343 11.354
357 HD21 LEU 53 3HD2 LEU 53 3.883 2.900 9.836
358 HD22 LEU 53 1HD2 LEU 53 4.083 2.474 11.536
359 HD23 LEU 53 2HD2 LEU 53 2.855 3.647 11.060
360 H LYS 54 H LYS 54 3.461 -2.366 8.265
361 HA LYS 54 HA LYS 54 5.787 -3.531 9.649
362 HB2 LYS 54 1HB LYS 54 4.647 -5.498 9.955
363 HB3 LYS 54 2HB LYS 54 3.305 -4.363 10.013
364 HG2 LYS 54 1HG LYS 54 2.710 -4.855 7.745
365 HG3 LYS 54 2HG LYS 54 4.153 -5.851 7.537
366 HD2 LYS 54 1HD LYS 54 3.313 -7.568 8.841
367 HD3 LYS 54 2HD LYS 54 2.192 -6.507 9.697
368 HE2 LYS 54 1HE LYS 54 0.762 -7.667 8.315
369 HE3 LYS 54 2HE LYS 54 1.099 -6.235 7.345
370 HZ1 LYS 54 3HZ LYS 54 1.852 -7.547 5.749
371 HZ2 LYS 54 1HZ LYS 54 1.551 -8.920 6.691
372 HZ3 LYS 54 2HZ LYS 54 3.054 -8.149 6.777
373 H THR 55 H THR 55 4.356 -2.833 6.615
374 HA THR 55 HA THR 55 6.051 -4.708 5.165
375 HB THR 55 HB THR 55 3.983 -2.730 4.194
376 HG1 THR 55 HG1 THR 55 4.031 -5.515 4.664
377 HG21 THR 55 3HG2 THR 55 5.559 -4.762 2.610
378 HG22 THR 55 1HG2 THR 55 5.771 -3.014 2.532
379 HG23 THR 55 2HG2 THR 55 4.259 -3.744 1.990
380 H TYR 56 H TYR 56 5.658 -1.228 5.626
381 HA TYR 56 HA TYR 56 7.905 -0.636 3.890
382 HB2 TYR 56 1HB TYR 56 6.114 1.129 5.567
383 HB3 TYR 56 2HB TYR 56 7.435 1.736 4.576
384 HD1 TYR 56 HD1 TYR 56 4.621 -0.685 4.079
385 HD2 TYR 56 HD2 TYR 56 6.727 2.712 2.619
386 HE1 TYR 56 HE1 TYR 56 3.114 -0.593 2.138
387 HE2 TYR 56 HE2 TYR 56 5.225 2.814 0.674
388 HH TYR 56 HH TYR 56 3.120 0.287 -0.156
389 H ILE 57 H ILE 57 7.123 0.225 7.265
390 HA ILE 57 HA ILE 57 9.751 0.919 7.971
391 HB ILE 57 HB ILE 57 7.523 -0.032 9.776
392 HG12 ILE 57 1HG1 ILE 57 6.902 1.928 8.426
393 HG13 ILE 57 2HG1 ILE 57 7.071 2.351 10.126
394 HG21 ILE 57 1HG2 ILE 57 9.104 -0.016 11.350
395 HG22 ILE 57 2HG2 ILE 57 10.267 0.776 10.288
396 HG23 ILE 57 3HG2 ILE 57 9.094 1.740 11.185
397 HD11 ILE 57 3HD1 ILE 57 8.670 3.184 7.792
398 HD12 ILE 57 1HD1 ILE 57 8.206 4.084 9.235
399 HD13 ILE 57 2HD1 ILE 57 9.538 2.930 9.305
400 H GLU 58 H GLU 58 7.927 -2.088 8.501
401 HA GLU 58 HA GLU 58 10.466 -3.416 9.180
402 HB2 GLU 58 1HB GLU 58 8.764 -3.478 10.961
403 HB3 GLU 58 2HB GLU 58 7.643 -4.260 9.856
404 HG2 GLU 58 1HG GLU 58 8.456 -6.038 11.062
405 HG3 GLU 58 2HG GLU 58 9.492 -6.056 9.636
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -10.892 -18.553 -12.083
2 HA2 GLY 1 1HA GLY 1 -10.248 -16.166 -11.655
3 HA3 GLY 1 2HA GLY 1 -10.551 -17.070 -10.178
4 H SER 2 H SER 2 -8.191 -15.486 -12.132
5 HA SER 2 HA SER 2 -5.976 -16.367 -10.462
6 HB2 SER 2 1HB SER 2 -4.569 -15.073 -12.004
7 HB3 SER 2 2HB SER 2 -5.631 -16.165 -12.893
8 HG SER 2 HG SER 2 -6.921 -14.449 -13.443
9 H SER 3 H SER 3 -4.904 -15.120 -8.999
10 HA SER 3 HA SER 3 -4.794 -13.574 -7.311
11 HB2 SER 3 1HB SER 3 -4.719 -12.070 -9.885
12 HB3 SER 3 2HB SER 3 -4.826 -11.141 -8.390
13 HG SER 3 HG SER 3 -2.959 -12.322 -7.673
14 H GLY 4 H GLY 4 -7.310 -14.562 -7.348
15 HA2 GLY 4 1HA GLY 4 -9.090 -12.219 -7.208
16 HA3 GLY 4 2HA GLY 4 -9.621 -13.887 -7.366
17 H SER 5 H SER 5 -10.999 -13.759 -5.591
18 HA SER 5 HA SER 5 -9.891 -13.062 -2.996
19 HB2 SER 5 1HB SER 5 -12.674 -14.042 -3.668
20 HB3 SER 5 2HB SER 5 -12.158 -13.282 -2.163
21 HG SER 5 HG SER 5 -13.186 -12.033 -4.118
22 H SER 6 H SER 6 -8.391 -14.735 -2.680
23 HA SER 6 HA SER 6 -9.199 -17.490 -2.776
24 HB2 SER 6 1HB SER 6 -6.878 -16.831 -3.260
25 HB3 SER 6 2HB SER 6 -6.703 -16.228 -1.612
26 HG SER 6 HG SER 6 -5.989 -18.211 -1.335
27 H GLY 7 H GLY 7 -8.236 -15.282 -0.143
28 HA2 GLY 7 1HA GLY 7 -10.227 -15.884 1.646
29 HA3 GLY 7 2HA GLY 7 -9.016 -17.131 1.903
30 H PHE 8 H PHE 8 -7.016 -16.586 2.791
31 HA PHE 8 HA PHE 8 -6.817 -13.842 3.845
32 HB2 PHE 8 1HB PHE 8 -5.946 -16.336 5.314
33 HB3 PHE 8 2HB PHE 8 -5.970 -14.689 5.936
34 HD1 PHE 8 HD2 PHE 8 -8.206 -13.544 6.217
35 HD2 PHE 8 HD1 PHE 8 -7.813 -17.723 5.506
36 HE1 PHE 8 HE2 PHE 8 -10.485 -13.901 7.074
37 HE2 PHE 8 HE1 PHE 8 -10.092 -18.086 6.361
38 HZ PHE 8 HZ PHE 8 -11.430 -16.174 7.147
39 H ASP 9 H ASP 9 -5.077 -12.840 3.110
40 HA ASP 9 HA ASP 9 -2.589 -14.356 2.775
41 HB2 ASP 9 1HB ASP 9 -2.215 -12.890 0.673
42 HB3 ASP 9 2HB ASP 9 -3.269 -14.295 0.540
43 H GLU 10 H GLU 10 -0.761 -13.275 3.345
44 HA GLU 10 HA GLU 10 -1.150 -10.616 4.517
45 HB2 GLU 10 1HB GLU 10 1.126 -12.571 4.887
46 HB3 GLU 10 2HB GLU 10 0.926 -11.049 5.744
47 HG2 GLU 10 1HG GLU 10 -1.021 -13.337 5.884
48 HG3 GLU 10 2HG GLU 10 0.269 -13.051 7.051
49 H ASN 11 H ASN 11 -0.127 -11.919 1.684
50 HA ASN 11 HA ASN 11 1.983 -9.919 1.262
51 HB2 ASN 11 1HB ASN 11 2.700 -11.235 -0.626
52 HB3 ASN 11 2HB ASN 11 2.501 -12.314 0.752
53 HD21 ASN 11 1HD2 ASN 11 2.445 -12.838 -2.138
54 HD22 ASN 11 2HD2 ASN 11 0.928 -13.607 -2.442
55 H TRP 12 H TRP 12 0.606 -8.131 0.986
56 HA TRP 12 HA TRP 12 -1.639 -7.877 -0.544
57 HB2 TRP 12 1HB TRP 12 0.624 -5.968 -0.021
58 HB3 TRP 12 2HB TRP 12 -0.740 -5.494 -1.030
59 HD1 TRP 12 HD1 TRP 12 -1.129 -7.626 2.148
60 HE1 TRP 12 HE1 TRP 12 -2.532 -6.297 3.848
61 HE3 TRP 12 HE3 TRP 12 -1.460 -3.188 -0.367
62 HZ2 TRP 12 HZ2 TRP 12 -3.634 -3.710 4.090
63 HZ3 TRP 12 HZ3 TRP 12 -2.707 -1.336 0.668
64 HH2 TRP 12 HH2 TRP 12 -3.771 -1.594 2.850
65 H GLY 13 H GLY 13 -2.091 -7.282 -2.699
66 HA2 GLY 13 1HA GLY 13 -0.370 -8.539 -4.625
67 HA3 GLY 13 2HA GLY 13 -1.894 -7.730 -4.958
68 H ALA 14 H ALA 14 -0.891 -6.824 -6.837
69 HA ALA 14 HA ALA 14 1.275 -4.930 -6.435
70 HB1 ALA 14 3HB ALA 14 1.491 -4.846 -8.745
71 HB2 ALA 14 1HB ALA 14 0.969 -6.506 -8.455
72 HB3 ALA 14 2HB ALA 14 -0.190 -5.302 -9.019
73 H ASP 15 H ASP 15 -2.165 -4.919 -7.213
74 HA ASP 15 HA ASP 15 -2.374 -2.143 -7.731
75 HB2 ASP 15 1HB ASP 15 -4.045 -3.967 -8.350
76 HB3 ASP 15 2HB ASP 15 -4.594 -3.894 -6.677
77 H GLU 16 H GLU 16 -3.264 -4.050 -4.850
78 HA GLU 16 HA GLU 16 -3.993 -1.916 -3.219
79 HB2 GLU 16 1HB GLU 16 -3.241 -3.542 -1.332
80 HB3 GLU 16 2HB GLU 16 -4.590 -3.988 -2.368
81 HG2 GLU 16 1HG GLU 16 -1.865 -4.859 -3.160
82 HG3 GLU 16 2HG GLU 16 -2.649 -5.675 -1.809
83 H GLU 17 H GLU 17 -0.899 -2.872 -4.316
84 HA GLU 17 HA GLU 17 0.553 -1.590 -2.163
85 HB2 GLU 17 1HB GLU 17 1.262 -3.159 -4.587
86 HB3 GLU 17 2HB GLU 17 2.463 -2.024 -3.984
87 HG2 GLU 17 1HG GLU 17 1.989 -3.177 -1.695
88 HG3 GLU 17 2HG GLU 17 1.370 -4.482 -2.705
89 H LEU 18 H LEU 18 -0.443 -0.883 -5.447
90 HA LEU 18 HA LEU 18 1.150 1.490 -5.686
91 HB2 LEU 18 1HB LEU 18 0.707 0.699 -7.765
92 HB3 LEU 18 2HB LEU 18 -0.880 0.082 -7.310
93 HG LEU 18 HG LEU 18 -1.591 2.561 -7.276
94 HD11 LEU 18 1HD1 LEU 18 1.089 2.954 -7.779
95 HD12 LEU 18 2HD1 LEU 18 -0.197 4.141 -7.996
96 HD13 LEU 18 3HD1 LEU 18 0.339 3.162 -9.362
97 HD21 LEU 18 3HD2 LEU 18 -1.856 0.602 -9.095
98 HD22 LEU 18 1HD2 LEU 18 -0.974 1.790 -10.056
99 HD23 LEU 18 2HD2 LEU 18 -2.512 2.225 -9.311
100 H LEU 19 H LEU 19 -2.204 0.760 -4.867
101 HA LEU 19 HA LEU 19 -3.137 3.423 -4.812
102 HB2 LEU 19 1HB LEU 19 -4.120 1.023 -3.276
103 HB3 LEU 19 2HB LEU 19 -4.999 2.535 -3.488
104 HG LEU 19 HG LEU 19 -4.217 0.726 -5.768
105 HD11 LEU 19 1HD1 LEU 19 -6.013 -0.550 -5.440
106 HD12 LEU 19 2HD1 LEU 19 -7.037 0.837 -5.070
107 HD13 LEU 19 3HD1 LEU 19 -6.046 0.110 -3.805
108 HD21 LEU 19 3HD2 LEU 19 -4.937 3.339 -5.834
109 HD22 LEU 19 1HD2 LEU 19 -6.510 2.551 -5.964
110 HD23 LEU 19 2HD2 LEU 19 -5.242 2.186 -7.134
111 H LEU 20 H LEU 20 -2.105 1.272 -2.164
112 HA LEU 20 HA LEU 20 -2.415 2.877 0.002
113 HB2 LEU 20 1HB LEU 20 -1.537 0.600 0.102
114 HB3 LEU 20 2HB LEU 20 -0.015 1.151 -0.595
115 HG LEU 20 HG LEU 20 0.484 2.424 1.397
116 HD11 LEU 20 1HD1 LEU 20 -2.181 1.460 2.425
117 HD12 LEU 20 2HD1 LEU 20 -1.773 3.117 1.982
118 HD13 LEU 20 3HD1 LEU 20 -0.977 2.351 3.356
119 HD21 LEU 20 3HD2 LEU 20 1.399 0.505 2.052
120 HD22 LEU 20 1HD2 LEU 20 0.071 -0.436 1.373
121 HD23 LEU 20 2HD2 LEU 20 -0.058 0.221 3.005
122 H ILE 21 H ILE 21 0.420 2.892 -2.151
123 HA ILE 21 HA ILE 21 1.780 4.986 -0.856
124 HB ILE 21 HB ILE 21 1.932 4.152 -3.755
125 HG12 ILE 21 1HG1 ILE 21 3.810 3.420 -1.510
126 HG13 ILE 21 2HG1 ILE 21 2.434 2.416 -1.954
127 HG21 ILE 21 1HG2 ILE 21 4.155 5.493 -2.289
128 HG22 ILE 21 2HG2 ILE 21 3.808 5.453 -4.017
129 HG23 ILE 21 3HG2 ILE 21 2.841 6.468 -2.947
130 HD11 ILE 21 3HD1 ILE 21 3.336 2.023 -4.124
131 HD12 ILE 21 1HD1 ILE 21 4.620 3.202 -3.861
132 HD13 ILE 21 2HD1 ILE 21 4.599 1.701 -2.936
133 H ASP 22 H ASP 22 -0.015 5.098 -3.940
134 HA ASP 22 HA ASP 22 0.024 7.746 -4.487
135 HB2 ASP 22 1HB ASP 22 -1.230 5.798 -5.672
136 HB3 ASP 22 2HB ASP 22 -2.598 6.294 -4.678
137 H ALA 23 H ALA 23 -2.161 6.163 -2.187
138 HA ALA 23 HA ALA 23 -3.540 8.546 -1.467
139 HB1 ALA 23 3HB ALA 23 -3.387 6.258 0.424
140 HB2 ALA 23 1HB ALA 23 -4.771 7.242 -0.054
141 HB3 ALA 23 2HB ALA 23 -4.153 5.999 -1.143
142 H CYS 24 H CYS 24 -0.830 6.757 -0.054
143 HA CYS 24 HA CYS 24 -0.528 8.119 2.327
144 HB2 CYS 24 1HB CYS 24 0.879 6.283 2.095
145 HB3 CYS 24 2HB CYS 24 1.403 6.759 0.485
146 HG CYS 24 HG CYS 24 3.612 7.790 1.261
147 H GLU 25 H GLU 25 0.606 9.020 -0.896
148 HA GLU 25 HA GLU 25 1.762 11.488 0.140
149 HB2 GLU 25 1HB GLU 25 1.874 10.026 -2.460
150 HB3 GLU 25 2HB GLU 25 2.182 11.756 -2.458
151 HG2 GLU 25 1HG GLU 25 3.639 9.883 -0.627
152 HG3 GLU 25 2HG GLU 25 4.184 10.203 -2.272
153 H THR 26 H THR 26 -1.041 10.346 -1.555
154 HA THR 26 HA THR 26 -1.861 12.950 -2.481
155 HB THR 26 HB THR 26 -3.235 10.266 -2.445
156 HG1 THR 26 HG1 THR 26 -3.114 10.949 -4.834
157 HG21 THR 26 3HG2 THR 26 -4.951 11.959 -2.117
158 HG22 THR 26 1HG2 THR 26 -5.040 11.316 -3.756
159 HG23 THR 26 2HG2 THR 26 -4.312 12.896 -3.467
160 H LEU 27 H LEU 27 -3.561 10.633 -0.370
161 HA LEU 27 HA LEU 27 -5.083 12.718 0.863
162 HB2 LEU 27 1HB LEU 27 -4.767 9.846 1.718
163 HB3 LEU 27 2HB LEU 27 -6.033 10.960 2.230
164 HG LEU 27 HG LEU 27 -5.658 9.949 -0.588
165 HD11 LEU 27 1HD1 LEU 27 -6.379 8.300 1.269
166 HD12 LEU 27 2HD1 LEU 27 -7.320 8.382 -0.220
167 HD13 LEU 27 3HD1 LEU 27 -7.903 9.188 1.236
168 HD21 LEU 27 3HD2 LEU 27 -6.963 11.677 -1.107
169 HD22 LEU 27 1HD2 LEU 27 -7.252 12.063 0.589
170 HD23 LEU 27 2HD2 LEU 27 -8.251 10.857 -0.224
171 H GLY 28 H GLY 28 -2.357 10.683 1.850
172 HA2 GLY 28 1HA GLY 28 -0.622 11.553 3.255
173 HA3 GLY 28 2HA GLY 28 -1.806 12.625 3.990
174 H LEU 29 H LEU 29 -0.093 9.766 4.335
175 HA LEU 29 HA LEU 29 -1.608 7.931 5.592
176 HB2 LEU 29 1HB LEU 29 1.068 8.979 6.497
177 HB3 LEU 29 2HB LEU 29 0.327 7.502 7.111
178 HG LEU 29 HG LEU 29 1.032 7.937 4.213
179 HD11 LEU 29 1HD1 LEU 29 3.045 6.768 4.546
180 HD12 LEU 29 2HD1 LEU 29 2.602 6.308 6.189
181 HD13 LEU 29 3HD1 LEU 29 2.994 7.987 5.820
182 HD21 LEU 29 3HD2 LEU 29 0.989 5.220 5.062
183 HD22 LEU 29 1HD2 LEU 29 -0.032 6.023 3.869
184 HD23 LEU 29 2HD2 LEU 29 -0.515 5.992 5.565
185 H GLY 30 H GLY 30 -0.727 11.077 6.871
186 HA2 GLY 30 1HA GLY 30 -1.165 11.036 9.501
187 HA3 GLY 30 2HA GLY 30 -1.874 12.290 8.495
188 H ASN 31 H ASN 31 -3.735 10.665 7.102
189 HA ASN 31 HA ASN 31 -5.529 9.844 9.290
190 HB2 ASN 31 1HB ASN 31 -5.981 12.076 7.943
191 HB3 ASN 31 2HB ASN 31 -6.648 10.961 6.755
192 HD21 ASN 31 1HD2 ASN 31 -8.507 9.820 7.230
193 HD22 ASN 31 2HD2 ASN 31 -9.522 10.217 8.570
194 H TRP 32 H TRP 32 -5.207 7.658 9.092
195 HA TRP 32 HA TRP 32 -5.102 6.265 6.635
196 HB2 TRP 32 1HB TRP 32 -5.727 5.308 9.434
197 HB3 TRP 32 2HB TRP 32 -5.492 4.236 8.056
198 HD1 TRP 32 HD1 TRP 32 -3.604 6.151 10.672
199 HE1 TRP 32 HE1 TRP 32 -1.075 5.798 10.350
200 HE3 TRP 32 HE3 TRP 32 -3.676 3.891 6.087
201 HZ2 TRP 32 HZ2 TRP 32 0.660 4.707 8.410
202 HZ3 TRP 32 HZ3 TRP 32 -1.538 3.224 5.067
203 HH2 TRP 32 HH2 TRP 32 0.584 3.625 6.206
204 H ALA 33 H ALA 33 -7.735 7.025 8.853
205 HA ALA 33 HA ALA 33 -9.767 5.429 8.027
206 HB1 ALA 33 3HB ALA 33 -11.122 7.753 8.243
207 HB2 ALA 33 1HB ALA 33 -10.565 6.804 9.621
208 HB3 ALA 33 2HB ALA 33 -9.618 8.181 9.057
209 H ASP 34 H ASP 34 -8.516 8.263 6.331
210 HA ASP 34 HA ASP 34 -10.490 8.144 4.250
211 HB2 ASP 34 1HB ASP 34 -7.958 9.718 4.656
212 HB3 ASP 34 2HB ASP 34 -8.824 9.768 3.123
213 H ILE 35 H ILE 35 -7.094 7.194 4.577
214 HA ILE 35 HA ILE 35 -6.629 6.398 1.945
215 HB ILE 35 HB ILE 35 -5.465 5.268 4.492
216 HG12 ILE 35 1HG1 ILE 35 -4.444 7.367 2.566
217 HG13 ILE 35 2HG1 ILE 35 -5.054 7.665 4.190
218 HG21 ILE 35 1HG2 ILE 35 -5.300 4.205 1.927
219 HG22 ILE 35 2HG2 ILE 35 -3.786 5.079 2.152
220 HG23 ILE 35 3HG2 ILE 35 -4.261 3.827 3.300
221 HD11 ILE 35 3HD1 ILE 35 -2.737 5.832 3.764
222 HD12 ILE 35 1HD1 ILE 35 -2.510 7.581 3.782
223 HD13 ILE 35 2HD1 ILE 35 -3.182 6.763 5.194
224 H ALA 36 H ALA 36 -8.027 4.623 4.661
225 HA ALA 36 HA ALA 36 -8.104 2.063 3.661
226 HB1 ALA 36 3HB ALA 36 -10.367 3.347 5.180
227 HB2 ALA 36 1HB ALA 36 -9.933 1.638 5.135
228 HB3 ALA 36 2HB ALA 36 -8.865 2.799 5.924
229 H ASP 37 H ASP 37 -10.563 4.598 3.183
230 HA ASP 37 HA ASP 37 -12.180 3.055 1.446
231 HB2 ASP 37 1HB ASP 37 -12.764 5.209 2.766
232 HB3 ASP 37 2HB ASP 37 -12.084 6.058 1.381
233 H TYR 38 H TYR 38 -9.202 4.606 0.988
234 HA TYR 38 HA TYR 38 -9.566 4.993 -1.873
235 HB2 TYR 38 1HB TYR 38 -8.259 6.590 -0.387
236 HB3 TYR 38 2HB TYR 38 -7.015 5.348 -0.299
237 HD1 TYR 38 HD1 TYR 38 -5.931 4.579 -2.462
238 HD2 TYR 38 HD2 TYR 38 -8.367 8.058 -2.220
239 HE1 TYR 38 HE1 TYR 38 -4.953 5.402 -4.563
240 HE2 TYR 38 HE2 TYR 38 -7.398 8.890 -4.321
241 HH TYR 38 HH TYR 38 -5.913 8.538 -5.931
242 H VAL 39 H VAL 39 -7.915 2.845 0.362
243 HA VAL 39 HA VAL 39 -6.584 1.402 -1.772
244 HB VAL 39 HB VAL 39 -6.731 0.794 1.184
245 HG11 VAL 39 1HG1 VAL 39 -4.599 -0.277 -0.588
246 HG12 VAL 39 2HG1 VAL 39 -5.302 -0.961 0.879
247 HG13 VAL 39 3HG1 VAL 39 -6.187 -1.039 -0.644
248 HG21 VAL 39 3HG2 VAL 39 -4.720 1.912 1.468
249 HG22 VAL 39 1HG2 VAL 39 -4.323 1.842 -0.249
250 HG23 VAL 39 2HG2 VAL 39 -5.571 2.949 0.323
251 H GLY 40 H GLY 40 -8.638 0.253 0.911
252 HA2 GLY 40 1HA GLY 40 -10.387 -1.245 0.929
253 HA3 GLY 40 2HA GLY 40 -10.522 -1.018 -0.808
254 H ASN 41 H ASN 41 -10.423 -2.910 -1.806
255 HA ASN 41 HA ASN 41 -9.838 -5.039 -2.359
256 HB2 ASN 41 1HB ASN 41 -7.103 -4.560 -1.229
257 HB3 ASN 41 2HB ASN 41 -7.567 -5.410 -2.700
258 HD21 ASN 41 1HD2 ASN 41 -6.141 -2.708 -1.567
259 HD22 ASN 41 2HD2 ASN 41 -6.402 -1.647 -2.905
260 H ALA 42 H ALA 42 -11.196 -5.023 -0.044
261 HA ALA 42 HA ALA 42 -11.707 -6.353 1.733
262 HB1 ALA 42 3HB ALA 42 -9.454 -8.169 1.656
263 HB2 ALA 42 1HB ALA 42 -11.175 -8.493 1.441
264 HB3 ALA 42 2HB ALA 42 -10.196 -7.974 0.068
265 H ARG 43 H ARG 43 -9.788 -4.079 1.891
266 HA ARG 43 HA ARG 43 -8.420 -4.856 4.384
267 HB2 ARG 43 1HB ARG 43 -7.606 -2.578 2.581
268 HB3 ARG 43 2HB ARG 43 -6.701 -3.265 3.923
269 HG2 ARG 43 1HG ARG 43 -7.383 -4.826 1.448
270 HG3 ARG 43 2HG ARG 43 -5.905 -3.876 1.615
271 HD2 ARG 43 1HD ARG 43 -5.240 -5.192 3.537
272 HD3 ARG 43 2HD ARG 43 -6.755 -6.093 3.474
273 HE ARG 43 HE ARG 43 -5.148 -6.223 1.074
274 HH11 ARG 43 1HH1 ARG 43 -5.912 -7.670 4.146
275 HH12 ARG 43 2HH1 ARG 43 -5.318 -9.236 3.704
276 HH21 ARG 43 1HH2 ARG 43 -4.362 -8.280 0.479
277 HH22 ARG 43 2HH2 ARG 43 -4.435 -9.582 1.618
278 H THR 44 H THR 44 -7.842 -2.580 5.561
279 HA THR 44 HA THR 44 -9.896 -0.605 5.479
280 HB THR 44 HB THR 44 -11.076 -2.533 6.605
281 HG1 THR 44 HG1 THR 44 -11.287 -0.060 7.021
282 HG21 THR 44 3HG2 THR 44 -9.147 -1.893 8.839
283 HG22 THR 44 1HG2 THR 44 -9.166 -3.380 7.892
284 HG23 THR 44 2HG2 THR 44 -10.527 -2.987 8.943
285 H LYS 45 H LYS 45 -9.584 1.082 7.069
286 HA LYS 45 HA LYS 45 -7.121 2.070 7.377
287 HB2 LYS 45 1HB LYS 45 -7.921 3.180 9.507
288 HB3 LYS 45 2HB LYS 45 -8.955 3.392 8.100
289 HG2 LYS 45 1HG LYS 45 -10.380 1.538 8.947
290 HG3 LYS 45 2HG LYS 45 -9.396 1.517 10.412
291 HD2 LYS 45 1HD LYS 45 -10.061 3.731 10.984
292 HD3 LYS 45 2HD LYS 45 -10.819 3.977 9.408
293 HE2 LYS 45 1HE LYS 45 -12.650 2.695 9.940
294 HE3 LYS 45 2HE LYS 45 -11.768 1.735 11.127
295 HZ1 LYS 45 3HZ LYS 45 -12.887 4.453 11.431
296 HZ2 LYS 45 1HZ LYS 45 -11.679 3.879 12.467
297 HZ3 LYS 45 2HZ LYS 45 -13.169 3.082 12.382
298 H GLU 46 H GLU 46 -8.622 -0.173 9.691
299 HA GLU 46 HA GLU 46 -6.530 -0.294 11.529
300 HB2 GLU 46 1HB GLU 46 -8.505 -2.445 10.746
301 HB3 GLU 46 2HB GLU 46 -7.475 -2.502 12.169
302 HG2 GLU 46 1HG GLU 46 -8.678 -0.914 13.281
303 HG3 GLU 46 2HG GLU 46 -9.235 -0.140 11.799
304 H GLU 47 H GLU 47 -7.099 -2.183 8.590
305 HA GLU 47 HA GLU 47 -4.694 -3.739 8.966
306 HB2 GLU 47 1HB GLU 47 -6.711 -3.580 6.727
307 HB3 GLU 47 2HB GLU 47 -5.282 -4.602 6.655
308 HG2 GLU 47 1HG GLU 47 -7.605 -5.526 7.471
309 HG3 GLU 47 2HG GLU 47 -6.088 -6.085 8.173
310 H CYS 48 H CYS 48 -5.808 -1.580 6.349
311 HA CYS 48 HA CYS 48 -3.584 -1.301 4.864
312 HB2 CYS 48 1HB CYS 48 -5.367 0.975 5.757
313 HB3 CYS 48 2HB CYS 48 -4.274 1.025 4.378
314 HG CYS 48 HG CYS 48 -5.710 -1.297 3.248
315 H ARG 49 H ARG 49 -4.164 0.312 7.959
316 HA ARG 49 HA ARG 49 -1.813 1.875 7.960
317 HB2 ARG 49 1HB ARG 49 -3.731 2.325 9.435
318 HB3 ARG 49 2HB ARG 49 -3.409 0.831 10.306
319 HG2 ARG 49 1HG ARG 49 -1.308 1.688 11.102
320 HG3 ARG 49 2HG ARG 49 -1.491 3.143 10.120
321 HD2 ARG 49 1HD ARG 49 -2.083 3.665 12.387
322 HD3 ARG 49 2HD ARG 49 -3.545 3.684 11.402
323 HE ARG 49 HE ARG 49 -2.870 1.789 13.495
324 HH11 ARG 49 1HH1 ARG 49 -4.962 2.620 10.839
325 HH12 ARG 49 2HH1 ARG 49 -6.244 1.573 11.351
326 HH21 ARG 49 1HH2 ARG 49 -4.552 0.408 14.180
327 HH22 ARG 49 2HH2 ARG 49 -6.010 0.316 13.252
328 H ASP 50 H ASP 50 -2.447 -0.847 10.163
329 HA ASP 50 HA ASP 50 0.155 -1.322 10.917
330 HB2 ASP 50 1HB ASP 50 -2.249 -3.108 10.716
331 HB3 ASP 50 2HB ASP 50 -0.693 -3.770 11.211
332 H HIS 51 H HIS 51 -1.337 -1.991 7.898
333 HA HIS 51 HA HIS 51 0.435 -4.060 7.043
334 HB2 HIS 51 1HB HIS 51 -1.557 -4.060 5.849
335 HB3 HIS 51 2HB HIS 51 -1.588 -2.306 5.700
336 HD1 HIS 51 HD1 HIS 51 0.780 -5.041 4.488
337 HD2 HIS 51 HD2 HIS 51 -1.125 -1.602 3.145
338 HE1 HIS 51 HE1 HIS 51 1.481 -4.779 2.088
339 HE2 HIS 51 HE2 HIS 51 0.384 -2.645 1.321
340 H TYR 52 H TYR 52 0.350 -0.550 6.686
341 HA TYR 52 HA TYR 52 2.647 -0.466 4.965
342 HB2 TYR 52 1HB TYR 52 0.871 1.265 4.911
343 HB3 TYR 52 2HB TYR 52 1.344 1.773 6.528
344 HD1 TYR 52 HD2 TYR 52 3.909 2.389 6.773
345 HD2 TYR 52 HD1 TYR 52 1.758 2.396 3.102
346 HE1 TYR 52 HE2 TYR 52 5.570 3.924 5.809
347 HE2 TYR 52 HE1 TYR 52 3.414 3.930 2.128
348 HH TYR 52 HH TYR 52 5.079 5.670 3.052
349 H LEU 53 H LEU 53 2.075 -0.429 8.380
350 HA LEU 53 HA LEU 53 4.738 0.546 9.004
351 HB2 LEU 53 1HB LEU 53 2.437 -0.377 10.710
352 HB3 LEU 53 2HB LEU 53 4.003 0.089 11.371
353 HG LEU 53 HG LEU 53 2.300 1.948 9.724
354 HD11 LEU 53 1HD1 LEU 53 2.244 1.338 12.650
355 HD12 LEU 53 2HD1 LEU 53 0.905 1.598 11.533
356 HD13 LEU 53 3HD1 LEU 53 1.881 2.964 12.071
357 HD21 LEU 53 3HD2 LEU 53 4.864 2.122 11.187
358 HD22 LEU 53 1HD2 LEU 53 3.773 3.501 11.329
359 HD23 LEU 53 2HD2 LEU 53 4.320 2.970 9.738
360 H LYS 54 H LYS 54 3.160 -2.436 8.460
361 HA LYS 54 HA LYS 54 5.287 -3.939 9.813
362 HB2 LYS 54 1HB LYS 54 3.866 -5.780 9.880
363 HB3 LYS 54 2HB LYS 54 2.760 -4.433 10.111
364 HG2 LYS 54 1HG LYS 54 1.596 -5.588 8.549
365 HG3 LYS 54 2HG LYS 54 2.591 -4.605 7.472
366 HD2 LYS 54 1HD LYS 54 2.649 -6.874 6.696
367 HD3 LYS 54 2HD LYS 54 4.228 -6.480 7.380
368 HE2 LYS 54 1HE LYS 54 3.943 -7.862 9.182
369 HE3 LYS 54 2HE LYS 54 2.188 -7.701 9.165
370 HZ1 LYS 54 3HZ LYS 54 3.338 -9.018 6.853
371 HZ2 LYS 54 1HZ LYS 54 1.961 -9.413 7.752
372 HZ3 LYS 54 2HZ LYS 54 3.493 -9.863 8.310
373 H THR 55 H THR 55 4.089 -3.048 6.705
374 HA THR 55 HA THR 55 5.570 -5.112 5.302
375 HB THR 55 HB THR 55 3.909 -2.791 4.316
376 HG1 THR 55 HG1 THR 55 3.422 -5.522 3.814
377 HG21 THR 55 3HG2 THR 55 5.308 -4.916 2.688
378 HG22 THR 55 1HG2 THR 55 5.757 -3.213 2.753
379 HG23 THR 55 2HG2 THR 55 4.205 -3.690 2.065
380 H TYR 56 H TYR 56 5.535 -1.550 5.064
381 HA TYR 56 HA TYR 56 7.994 -1.350 3.734
382 HB2 TYR 56 1HB TYR 56 6.361 0.599 5.340
383 HB3 TYR 56 2HB TYR 56 7.920 1.060 4.667
384 HD1 TYR 56 HD1 TYR 56 4.456 0.150 3.884
385 HD2 TYR 56 HD2 TYR 56 8.212 1.342 2.279
386 HE1 TYR 56 HE1 TYR 56 3.371 0.657 1.736
387 HE2 TYR 56 HE2 TYR 56 7.137 1.853 0.127
388 HH TYR 56 HH TYR 56 5.220 1.988 -0.988
389 H ILE 57 H ILE 57 7.400 -0.237 7.066
390 HA ILE 57 HA ILE 57 10.045 -0.064 7.849
391 HB ILE 57 HB ILE 57 7.728 -0.823 9.632
392 HG12 ILE 57 1HG1 ILE 57 7.046 1.164 8.578
393 HG13 ILE 57 2HG1 ILE 57 7.778 1.714 10.081
394 HG21 ILE 57 1HG2 ILE 57 10.244 -0.948 10.382
395 HG22 ILE 57 2HG2 ILE 57 10.060 0.800 10.520
396 HG23 ILE 57 3HG2 ILE 57 9.012 -0.273 11.448
397 HD11 ILE 57 3HD1 ILE 57 8.748 1.986 7.286
398 HD12 ILE 57 1HD1 ILE 57 8.691 3.176 8.586
399 HD13 ILE 57 2HD1 ILE 57 9.924 1.915 8.598
400 H GLU 58 H GLU 58 7.827 -2.735 8.688
401 HA GLU 58 HA GLU 58 10.107 -4.430 9.312
402 HB2 GLU 58 1HB GLU 58 7.131 -4.736 9.647
403 HB3 GLU 58 2HB GLU 58 8.230 -6.086 9.891
404 HG2 GLU 58 1HG GLU 58 8.663 -3.505 11.331
405 HG3 GLU 58 2HG GLU 58 7.481 -4.675 11.917
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -0.467 -22.395 -14.056
2 HA2 GLY 1 1HA GLY 1 -1.796 -19.812 -13.918
3 HA3 GLY 1 2HA GLY 1 -1.922 -20.983 -15.222
4 H SER 2 H SER 2 -4.206 -20.602 -15.208
5 HA SER 2 HA SER 2 -6.369 -20.806 -14.427
6 HB2 SER 2 1HB SER 2 -6.889 -23.222 -13.930
7 HB3 SER 2 2HB SER 2 -6.011 -22.957 -15.436
8 HG SER 2 HG SER 2 -4.086 -23.500 -14.286
9 H SER 3 H SER 3 -4.871 -19.563 -12.462
10 HA SER 3 HA SER 3 -4.722 -20.636 -9.954
11 HB2 SER 3 1HB SER 3 -5.001 -18.366 -9.076
12 HB3 SER 3 2HB SER 3 -3.992 -18.347 -10.522
13 HG SER 3 HG SER 3 -5.374 -16.974 -11.283
14 H GLY 4 H GLY 4 -6.092 -21.220 -8.361
15 HA2 GLY 4 1HA GLY 4 -8.926 -21.322 -9.022
16 HA3 GLY 4 2HA GLY 4 -8.136 -22.145 -7.685
17 H SER 5 H SER 5 -8.479 -21.364 -5.715
18 HA SER 5 HA SER 5 -9.561 -18.634 -5.488
19 HB2 SER 5 1HB SER 5 -10.134 -21.173 -4.011
20 HB3 SER 5 2HB SER 5 -10.340 -19.635 -3.174
21 HG SER 5 HG SER 5 -12.231 -19.711 -4.114
22 H SER 6 H SER 6 -7.841 -17.367 -5.059
23 HA SER 6 HA SER 6 -5.559 -18.103 -3.613
24 HB2 SER 6 1HB SER 6 -5.819 -16.105 -5.154
25 HB3 SER 6 2HB SER 6 -6.643 -15.289 -3.824
26 HG SER 6 HG SER 6 -4.181 -16.460 -3.266
27 H GLY 7 H GLY 7 -8.384 -16.195 -2.567
28 HA2 GLY 7 1HA GLY 7 -9.383 -16.097 -0.482
29 HA3 GLY 7 2HA GLY 7 -8.246 -17.314 0.078
30 H PHE 8 H PHE 8 -7.238 -16.553 1.813
31 HA PHE 8 HA PHE 8 -6.529 -13.713 1.926
32 HB2 PHE 8 1HB PHE 8 -6.757 -15.866 4.020
33 HB3 PHE 8 2HB PHE 8 -5.958 -14.333 4.355
34 HD1 PHE 8 HD1 PHE 8 -9.081 -15.278 2.541
35 HD2 PHE 8 HD2 PHE 8 -7.284 -12.980 5.641
36 HE1 PHE 8 HE1 PHE 8 -11.262 -14.257 3.045
37 HE2 PHE 8 HE2 PHE 8 -9.462 -11.956 6.150
38 HZ PHE 8 HZ PHE 8 -11.455 -12.595 4.852
39 H ASP 9 H ASP 9 -4.728 -13.706 0.567
40 HA ASP 9 HA ASP 9 -2.488 -15.455 1.176
41 HB2 ASP 9 1HB ASP 9 -3.283 -14.688 -1.183
42 HB3 ASP 9 2HB ASP 9 -2.397 -13.210 -0.817
43 H GLU 10 H GLU 10 -0.576 -14.841 2.085
44 HA GLU 10 HA GLU 10 -0.612 -12.401 3.631
45 HB2 GLU 10 1HB GLU 10 0.280 -14.748 4.331
46 HB3 GLU 10 2HB GLU 10 1.736 -14.260 3.475
47 HG2 GLU 10 1HG GLU 10 2.196 -12.548 4.970
48 HG3 GLU 10 2HG GLU 10 0.540 -12.497 5.571
49 H ASN 11 H ASN 11 -0.624 -11.676 1.027
50 HA ASN 11 HA ASN 11 1.785 -10.135 0.825
51 HB2 ASN 11 1HB ASN 11 1.231 -12.304 -1.206
52 HB3 ASN 11 2HB ASN 11 2.328 -10.958 -1.499
53 HD21 ASN 11 1HD2 ASN 11 2.254 -14.081 -0.691
54 HD22 ASN 11 2HD2 ASN 11 3.695 -14.198 0.254
55 H TRP 12 H TRP 12 0.913 -8.211 0.441
56 HA TRP 12 HA TRP 12 -1.595 -7.732 -0.681
57 HB2 TRP 12 1HB TRP 12 0.813 -6.047 -0.144
58 HB3 TRP 12 2HB TRP 12 -0.484 -5.375 -1.128
59 HD1 TRP 12 HD1 TRP 12 -0.713 -7.505 2.113
60 HE1 TRP 12 HE1 TRP 12 -2.154 -6.209 3.807
61 HE3 TRP 12 HE3 TRP 12 -1.543 -3.259 -0.610
62 HZ2 TRP 12 HZ2 TRP 12 -3.469 -3.716 3.966
63 HZ3 TRP 12 HZ3 TRP 12 -2.903 -1.466 0.385
64 HH2 TRP 12 HH2 TRP 12 -3.846 -1.692 2.626
65 H GLY 13 H GLY 13 -2.290 -7.104 -2.717
66 HA2 GLY 13 1HA GLY 13 -0.700 -8.116 -4.909
67 HA3 GLY 13 2HA GLY 13 -2.340 -7.491 -5.007
68 H ALA 14 H ALA 14 0.003 -6.970 -6.713
69 HA ALA 14 HA ALA 14 1.342 -4.651 -6.426
70 HB1 ALA 14 3HB ALA 14 1.788 -4.897 -8.593
71 HB2 ALA 14 1HB ALA 14 0.686 -6.274 -8.570
72 HB3 ALA 14 2HB ALA 14 0.096 -4.679 -9.042
73 H ASP 15 H ASP 15 -2.068 -4.911 -7.368
74 HA ASP 15 HA ASP 15 -2.540 -2.176 -7.777
75 HB2 ASP 15 1HB ASP 15 -4.025 -4.272 -8.286
76 HB3 ASP 15 2HB ASP 15 -4.667 -3.977 -6.672
77 H GLU 16 H GLU 16 -3.753 -4.053 -5.000
78 HA GLU 16 HA GLU 16 -4.334 -1.879 -3.379
79 HB2 GLU 16 1HB GLU 16 -4.372 -3.444 -1.518
80 HB3 GLU 16 2HB GLU 16 -5.110 -4.174 -2.937
81 HG2 GLU 16 1HG GLU 16 -3.186 -5.514 -3.344
82 HG3 GLU 16 2HG GLU 16 -2.259 -4.655 -2.115
83 H GLU 17 H GLU 17 -1.298 -3.108 -4.281
84 HA GLU 17 HA GLU 17 0.117 -2.126 -1.955
85 HB2 GLU 17 1HB GLU 17 0.845 -3.590 -4.441
86 HB3 GLU 17 2HB GLU 17 2.105 -2.646 -3.658
87 HG2 GLU 17 1HG GLU 17 1.264 -3.920 -1.517
88 HG3 GLU 17 2HG GLU 17 0.690 -5.080 -2.713
89 H LEU 18 H LEU 18 -0.614 -1.084 -5.210
90 HA LEU 18 HA LEU 18 1.245 1.106 -5.194
91 HB2 LEU 18 1HB LEU 18 0.850 0.508 -7.348
92 HB3 LEU 18 2HB LEU 18 -0.819 0.040 -7.025
93 HG LEU 18 HG LEU 18 -1.260 2.578 -6.846
94 HD11 LEU 18 1HD1 LEU 18 1.516 2.484 -7.882
95 HD12 LEU 18 2HD1 LEU 18 0.723 3.685 -6.864
96 HD13 LEU 18 3HD1 LEU 18 0.413 3.658 -8.600
97 HD21 LEU 18 3HD2 LEU 18 -0.573 1.936 -9.641
98 HD22 LEU 18 1HD2 LEU 18 -2.098 2.473 -8.937
99 HD23 LEU 18 2HD2 LEU 18 -1.620 0.780 -8.816
100 H LEU 19 H LEU 19 -2.297 0.829 -4.964
101 HA LEU 19 HA LEU 19 -3.006 3.458 -4.721
102 HB2 LEU 19 1HB LEU 19 -4.081 0.988 -3.407
103 HB3 LEU 19 2HB LEU 19 -4.796 2.568 -3.092
104 HG LEU 19 HG LEU 19 -5.849 1.029 -4.885
105 HD11 LEU 19 1HD1 LEU 19 -5.451 3.917 -4.776
106 HD12 LEU 19 2HD1 LEU 19 -6.928 2.981 -5.000
107 HD13 LEU 19 3HD1 LEU 19 -5.884 3.322 -6.379
108 HD21 LEU 19 3HD2 LEU 19 -3.417 2.079 -6.307
109 HD22 LEU 19 1HD2 LEU 19 -4.873 1.569 -7.163
110 HD23 LEU 19 2HD2 LEU 19 -3.978 0.412 -6.177
111 H LEU 20 H LEU 20 -2.047 1.311 -2.044
112 HA LEU 20 HA LEU 20 -2.270 2.901 0.120
113 HB2 LEU 20 1HB LEU 20 -1.344 0.625 0.143
114 HB3 LEU 20 2HB LEU 20 0.161 1.242 -0.535
115 HG LEU 20 HG LEU 20 0.544 2.542 1.507
116 HD11 LEU 20 1HD1 LEU 20 -2.008 1.242 2.444
117 HD12 LEU 20 2HD1 LEU 20 -1.724 2.964 2.193
118 HD13 LEU 20 3HD1 LEU 20 -0.878 2.109 3.483
119 HD21 LEU 20 3HD2 LEU 20 1.525 0.798 2.522
120 HD22 LEU 20 1HD2 LEU 20 0.916 -0.126 1.149
121 HD23 LEU 20 2HD2 LEU 20 0.014 -0.102 2.664
122 H ILE 21 H ILE 21 0.498 2.973 -2.117
123 HA ILE 21 HA ILE 21 1.873 5.072 -0.849
124 HB ILE 21 HB ILE 21 1.928 4.266 -3.760
125 HG12 ILE 21 1HG1 ILE 21 3.956 3.574 -1.645
126 HG13 ILE 21 2HG1 ILE 21 2.544 2.562 -1.926
127 HG21 ILE 21 1HG2 ILE 21 3.028 6.529 -2.522
128 HG22 ILE 21 2HG2 ILE 21 4.367 5.410 -2.773
129 HG23 ILE 21 3HG2 ILE 21 3.370 5.912 -4.139
130 HD11 ILE 21 3HD1 ILE 21 4.202 3.283 -4.270
131 HD12 ILE 21 1HD1 ILE 21 4.861 2.122 -3.117
132 HD13 ILE 21 2HD1 ILE 21 3.321 1.797 -3.914
133 H ASP 22 H ASP 22 -0.010 5.208 -3.880
134 HA ASP 22 HA ASP 22 -0.032 7.870 -4.367
135 HB2 ASP 22 1HB ASP 22 -1.284 5.895 -5.547
136 HB3 ASP 22 2HB ASP 22 -2.642 6.409 -4.550
137 H ALA 23 H ALA 23 -2.160 6.187 -2.081
138 HA ALA 23 HA ALA 23 -3.590 8.502 -1.281
139 HB1 ALA 23 3HB ALA 23 -3.452 6.451 0.760
140 HB2 ALA 23 1HB ALA 23 -4.838 7.042 -0.157
141 HB3 ALA 23 2HB ALA 23 -3.808 5.779 -0.832
142 H CYS 24 H CYS 24 -0.894 6.720 0.209
143 HA CYS 24 HA CYS 24 -0.559 8.132 2.527
144 HB2 CYS 24 1HB CYS 24 0.839 6.257 2.174
145 HB3 CYS 24 2HB CYS 24 1.472 6.910 0.668
146 HG CYS 24 HG CYS 24 2.971 8.920 1.905
147 H GLU 25 H GLU 25 0.490 9.047 -0.715
148 HA GLU 25 HA GLU 25 1.635 11.533 0.291
149 HB2 GLU 25 1HB GLU 25 1.568 10.260 -2.443
150 HB3 GLU 25 2HB GLU 25 2.192 11.880 -2.165
151 HG2 GLU 25 1HG GLU 25 3.242 9.484 -0.697
152 HG3 GLU 25 2HG GLU 25 3.878 9.995 -2.260
153 H THR 26 H THR 26 -1.178 10.348 -1.371
154 HA THR 26 HA THR 26 -2.065 12.953 -2.235
155 HB THR 26 HB THR 26 -3.449 10.268 -2.215
156 HG1 THR 26 HG1 THR 26 -2.417 11.867 -4.341
157 HG21 THR 26 3HG2 THR 26 -5.391 11.248 -2.701
158 HG22 THR 26 1HG2 THR 26 -4.638 12.211 -3.972
159 HG23 THR 26 2HG2 THR 26 -4.654 12.801 -2.310
160 H LEU 27 H LEU 27 -3.690 10.542 -0.170
161 HA LEU 27 HA LEU 27 -5.261 12.552 1.122
162 HB2 LEU 27 1HB LEU 27 -4.848 9.682 1.942
163 HB3 LEU 27 2HB LEU 27 -6.160 10.746 2.444
164 HG LEU 27 HG LEU 27 -5.713 9.753 -0.371
165 HD11 LEU 27 1HD1 LEU 27 -6.997 8.549 1.933
166 HD12 LEU 27 2HD1 LEU 27 -6.609 7.852 0.360
167 HD13 LEU 27 3HD1 LEU 27 -8.109 8.755 0.578
168 HD21 LEU 27 3HD2 LEU 27 -7.926 11.360 0.897
169 HD22 LEU 27 1HD2 LEU 27 -8.023 10.616 -0.700
170 HD23 LEU 27 2HD2 LEU 27 -6.829 11.875 -0.385
171 H GLY 28 H GLY 28 -2.510 10.528 2.094
172 HA2 GLY 28 1HA GLY 28 -0.774 11.417 3.493
173 HA3 GLY 28 2HA GLY 28 -1.966 12.473 4.236
174 H LEU 29 H LEU 29 -0.186 9.687 4.621
175 HA LEU 29 HA LEU 29 -1.688 7.806 5.853
176 HB2 LEU 29 1HB LEU 29 0.980 8.895 6.725
177 HB3 LEU 29 2HB LEU 29 0.259 7.431 7.392
178 HG LEU 29 HG LEU 29 0.775 7.702 4.449
179 HD11 LEU 29 1HD1 LEU 29 2.721 6.863 6.588
180 HD12 LEU 29 2HD1 LEU 29 2.905 8.167 5.416
181 HD13 LEU 29 3HD1 LEU 29 2.915 6.488 4.876
182 HD21 LEU 29 3HD2 LEU 29 0.951 5.195 6.050
183 HD22 LEU 29 1HD2 LEU 29 0.470 5.430 4.369
184 HD23 LEU 29 2HD2 LEU 29 -0.638 5.861 5.673
185 H GLY 30 H GLY 30 -0.904 10.979 7.104
186 HA2 GLY 30 1HA GLY 30 -1.347 10.889 9.756
187 HA3 GLY 30 2HA GLY 30 -2.014 12.170 8.755
188 H ASN 31 H ASN 31 -3.819 10.435 7.297
189 HA ASN 31 HA ASN 31 -5.679 9.636 9.431
190 HB2 ASN 31 1HB ASN 31 -6.370 11.835 8.616
191 HB3 ASN 31 2HB ASN 31 -6.368 11.240 6.958
192 HD21 ASN 31 1HD2 ASN 31 -8.534 12.407 8.497
193 HD22 ASN 31 2HD2 ASN 31 -9.799 11.231 8.523
194 H TRP 32 H TRP 32 -5.310 7.457 9.114
195 HA TRP 32 HA TRP 32 -5.166 6.147 6.647
196 HB2 TRP 32 1HB TRP 32 -5.967 5.178 9.390
197 HB3 TRP 32 2HB TRP 32 -5.842 4.100 8.003
198 HD1 TRP 32 HD1 TRP 32 -3.809 5.557 10.732
199 HE1 TRP 32 HE1 TRP 32 -1.315 5.031 10.374
200 HE3 TRP 32 HE3 TRP 32 -4.014 3.895 5.902
201 HZ2 TRP 32 HZ2 TRP 32 0.346 4.043 8.317
202 HZ3 TRP 32 HZ3 TRP 32 -1.929 3.178 4.811
203 HH2 TRP 32 HH2 TRP 32 0.205 3.252 5.995
204 H ALA 33 H ALA 33 -7.938 6.807 8.750
205 HA ALA 33 HA ALA 33 -9.956 5.379 7.699
206 HB1 ALA 33 3HB ALA 33 -10.957 6.717 9.172
207 HB2 ALA 33 1HB ALA 33 -9.754 7.988 8.953
208 HB3 ALA 33 2HB ALA 33 -11.128 7.876 7.853
209 H ASP 34 H ASP 34 -8.482 8.210 6.188
210 HA ASP 34 HA ASP 34 -10.299 8.249 3.972
211 HB2 ASP 34 1HB ASP 34 -7.661 9.621 4.494
212 HB3 ASP 34 2HB ASP 34 -8.567 9.836 2.999
213 H ILE 35 H ILE 35 -7.066 6.970 4.560
214 HA ILE 35 HA ILE 35 -6.477 6.229 1.906
215 HB ILE 35 HB ILE 35 -5.488 4.986 4.475
216 HG12 ILE 35 1HG1 ILE 35 -4.203 7.089 2.721
217 HG13 ILE 35 2HG1 ILE 35 -5.055 7.432 4.222
218 HG21 ILE 35 1HG2 ILE 35 -3.882 4.929 1.989
219 HG22 ILE 35 2HG2 ILE 35 -3.987 3.755 3.300
220 HG23 ILE 35 3HG2 ILE 35 -5.261 3.834 2.083
221 HD11 ILE 35 3HD1 ILE 35 -2.861 5.452 4.331
222 HD12 ILE 35 1HD1 ILE 35 -2.425 7.146 4.103
223 HD13 ILE 35 2HD1 ILE 35 -3.365 6.659 5.514
224 H ALA 36 H ALA 36 -7.976 4.446 4.580
225 HA ALA 36 HA ALA 36 -8.158 1.924 3.536
226 HB1 ALA 36 3HB ALA 36 -10.212 3.428 5.149
227 HB2 ALA 36 1HB ALA 36 -10.269 1.692 4.839
228 HB3 ALA 36 2HB ALA 36 -8.928 2.381 5.755
229 H ASP 37 H ASP 37 -10.409 4.615 2.952
230 HA ASP 37 HA ASP 37 -12.062 3.140 1.163
231 HB2 ASP 37 1HB ASP 37 -12.561 5.328 2.513
232 HB3 ASP 37 2HB ASP 37 -11.882 6.132 1.101
233 H TYR 38 H TYR 38 -9.029 4.640 0.838
234 HA TYR 38 HA TYR 38 -9.273 5.087 -2.022
235 HB2 TYR 38 1HB TYR 38 -7.938 6.562 -0.406
236 HB3 TYR 38 2HB TYR 38 -6.738 5.274 -0.402
237 HD1 TYR 38 HD1 TYR 38 -5.495 4.731 -2.464
238 HD2 TYR 38 HD2 TYR 38 -8.187 8.021 -2.291
239 HE1 TYR 38 HE1 TYR 38 -4.493 5.651 -4.513
240 HE2 TYR 38 HE2 TYR 38 -7.193 8.950 -4.340
241 HH TYR 38 HH TYR 38 -5.917 8.063 -6.333
242 H VAL 39 H VAL 39 -7.831 2.793 0.204
243 HA VAL 39 HA VAL 39 -6.500 1.348 -1.939
244 HB VAL 39 HB VAL 39 -6.692 0.747 1.016
245 HG11 VAL 39 1HG1 VAL 39 -6.394 -1.255 -0.461
246 HG12 VAL 39 2HG1 VAL 39 -4.879 -0.540 -1.017
247 HG13 VAL 39 3HG1 VAL 39 -5.079 -0.976 0.681
248 HG21 VAL 39 3HG2 VAL 39 -4.467 1.578 1.191
249 HG22 VAL 39 1HG2 VAL 39 -4.319 1.726 -0.560
250 HG23 VAL 39 2HG2 VAL 39 -5.407 2.794 0.327
251 H GLY 40 H GLY 40 -8.600 0.211 0.711
252 HA2 GLY 40 1HA GLY 40 -10.450 -1.169 0.663
253 HA3 GLY 40 2HA GLY 40 -10.493 -0.976 -1.083
254 H ASN 41 H ASN 41 -10.369 -2.865 -2.077
255 HA ASN 41 HA ASN 41 -9.887 -5.050 -2.520
256 HB2 ASN 41 1HB ASN 41 -7.161 -4.573 -1.351
257 HB3 ASN 41 2HB ASN 41 -7.608 -5.528 -2.762
258 HD21 ASN 41 1HD2 ASN 41 -6.297 -2.673 -1.731
259 HD22 ASN 41 2HD2 ASN 41 -6.459 -1.752 -3.183
260 H ALA 42 H ALA 42 -11.171 -4.701 -0.068
261 HA ALA 42 HA ALA 42 -11.796 -6.025 1.690
262 HB1 ALA 42 3HB ALA 42 -10.339 -7.770 0.111
263 HB2 ALA 42 1HB ALA 42 -9.599 -7.916 1.705
264 HB3 ALA 42 2HB ALA 42 -11.330 -8.195 1.506
265 H ARG 43 H ARG 43 -9.771 -3.825 1.758
266 HA ARG 43 HA ARG 43 -8.456 -4.542 4.296
267 HB2 ARG 43 1HB ARG 43 -7.579 -2.368 2.395
268 HB3 ARG 43 2HB ARG 43 -6.704 -2.988 3.789
269 HG2 ARG 43 1HG ARG 43 -7.373 -4.671 1.390
270 HG3 ARG 43 2HG ARG 43 -5.876 -3.749 1.544
271 HD2 ARG 43 1HD ARG 43 -5.147 -5.029 3.371
272 HD3 ARG 43 2HD ARG 43 -6.756 -5.692 3.655
273 HE ARG 43 HE ARG 43 -5.824 -6.446 1.095
274 HH11 ARG 43 1HH1 ARG 43 -5.349 -7.105 4.481
275 HH12 ARG 43 2HH1 ARG 43 -4.815 -8.733 4.222
276 HH21 ARG 43 1HH2 ARG 43 -5.123 -8.588 0.743
277 HH22 ARG 43 2HH2 ARG 43 -4.687 -9.575 2.096
278 H THR 44 H THR 44 -7.895 -2.371 5.527
279 HA THR 44 HA THR 44 -9.951 -0.350 5.337
280 HB THR 44 HB THR 44 -10.823 -0.639 7.596
281 HG1 THR 44 HG1 THR 44 -10.274 -2.693 8.662
282 HG21 THR 44 3HG2 THR 44 -12.090 -2.738 7.255
283 HG22 THR 44 1HG2 THR 44 -11.010 -3.146 5.923
284 HG23 THR 44 2HG2 THR 44 -12.049 -1.726 5.811
285 H LYS 45 H LYS 45 -9.734 0.984 7.615
286 HA LYS 45 HA LYS 45 -7.197 2.204 7.465
287 HB2 LYS 45 1HB LYS 45 -7.947 3.428 9.529
288 HB3 LYS 45 2HB LYS 45 -9.059 3.522 8.169
289 HG2 LYS 45 1HG LYS 45 -10.440 1.773 9.188
290 HG3 LYS 45 2HG LYS 45 -9.332 1.711 10.561
291 HD2 LYS 45 1HD LYS 45 -9.819 4.085 11.024
292 HD3 LYS 45 2HD LYS 45 -10.974 4.090 9.690
293 HE2 LYS 45 1HE LYS 45 -11.246 2.046 11.846
294 HE3 LYS 45 2HE LYS 45 -11.771 3.700 12.160
295 HZ1 LYS 45 3HZ LYS 45 -13.344 1.866 11.084
296 HZ2 LYS 45 1HZ LYS 45 -12.678 2.507 9.666
297 HZ3 LYS 45 2HZ LYS 45 -13.500 3.517 10.746
298 H GLU 46 H GLU 46 -8.564 -0.182 9.666
299 HA GLU 46 HA GLU 46 -6.412 -0.146 11.522
300 HB2 GLU 46 1HB GLU 46 -8.566 -2.178 10.945
301 HB3 GLU 46 2HB GLU 46 -7.375 -2.385 12.222
302 HG2 GLU 46 1HG GLU 46 -9.050 0.086 12.101
303 HG3 GLU 46 2HG GLU 46 -9.692 -1.403 12.791
304 H GLU 47 H GLU 47 -7.076 -1.932 8.577
305 HA GLU 47 HA GLU 47 -4.814 -3.698 8.936
306 HB2 GLU 47 1HB GLU 47 -6.929 -3.347 6.850
307 HB3 GLU 47 2HB GLU 47 -5.464 -4.229 6.443
308 HG2 GLU 47 1HG GLU 47 -5.927 -5.651 8.490
309 HG3 GLU 47 2HG GLU 47 -7.522 -4.902 8.518
310 H CYS 48 H CYS 48 -5.704 -1.384 6.367
311 HA CYS 48 HA CYS 48 -3.372 -1.236 4.993
312 HB2 CYS 48 1HB CYS 48 -5.092 1.139 5.735
313 HB3 CYS 48 2HB CYS 48 -3.965 1.065 4.386
314 HG CYS 48 HG CYS 48 -5.600 -1.345 3.513
315 H ARG 49 H ARG 49 -4.118 0.485 7.998
316 HA ARG 49 HA ARG 49 -1.814 2.036 8.182
317 HB2 ARG 49 1HB ARG 49 -3.598 2.481 9.688
318 HB3 ARG 49 2HB ARG 49 -3.589 0.832 10.298
319 HG2 ARG 49 1HG ARG 49 -1.276 1.306 11.190
320 HG3 ARG 49 2HG ARG 49 -1.577 3.002 10.804
321 HD2 ARG 49 1HD ARG 49 -3.431 1.367 12.518
322 HD3 ARG 49 2HD ARG 49 -2.072 2.271 13.183
323 HE ARG 49 HE ARG 49 -3.892 3.801 11.533
324 HH11 ARG 49 1HH1 ARG 49 -3.033 2.761 14.743
325 HH12 ARG 49 2HH1 ARG 49 -3.869 4.060 15.528
326 HH21 ARG 49 1HH2 ARG 49 -4.996 5.516 12.555
327 HH22 ARG 49 2HH2 ARG 49 -4.986 5.626 14.283
328 H ASP 50 H ASP 50 -2.356 -0.854 10.188
329 HA ASP 50 HA ASP 50 0.307 -1.240 10.883
330 HB2 ASP 50 1HB ASP 50 -1.835 -2.341 11.829
331 HB3 ASP 50 2HB ASP 50 -1.601 -3.543 10.563
332 H HIS 51 H HIS 51 -1.333 -1.965 7.944
333 HA HIS 51 HA HIS 51 0.382 -4.007 6.983
334 HB2 HIS 51 1HB HIS 51 -1.619 -3.922 5.819
335 HB3 HIS 51 2HB HIS 51 -1.621 -2.163 5.744
336 HD1 HIS 51 HD1 HIS 51 0.821 -4.776 4.422
337 HD2 HIS 51 HD2 HIS 51 -1.356 -1.472 3.154
338 HE1 HIS 51 HE1 HIS 51 1.434 -4.454 2.004
339 HE2 HIS 51 HE2 HIS 51 0.170 -2.399 1.282
340 H TYR 52 H TYR 52 0.406 -0.488 6.706
341 HA TYR 52 HA TYR 52 2.664 -0.433 4.938
342 HB2 TYR 52 1HB TYR 52 0.969 1.364 4.959
343 HB3 TYR 52 2HB TYR 52 1.455 1.791 6.595
344 HD1 TYR 52 HD2 TYR 52 4.099 2.219 6.820
345 HD2 TYR 52 HD1 TYR 52 1.832 2.636 3.244
346 HE1 TYR 52 HE2 TYR 52 5.810 3.740 5.920
347 HE2 TYR 52 HE1 TYR 52 3.537 4.157 2.333
348 HH TYR 52 HH TYR 52 6.451 4.975 4.195
349 H LEU 53 H LEU 53 2.155 -0.272 8.393
350 HA LEU 53 HA LEU 53 4.875 0.517 8.959
351 HB2 LEU 53 1HB LEU 53 2.608 -0.382 10.725
352 HB3 LEU 53 2HB LEU 53 4.196 0.086 11.330
353 HG LEU 53 HG LEU 53 2.444 1.945 9.736
354 HD11 LEU 53 1HD1 LEU 53 1.195 1.327 11.701
355 HD12 LEU 53 2HD1 LEU 53 1.838 2.955 11.909
356 HD13 LEU 53 3HD1 LEU 53 2.605 1.594 12.726
357 HD21 LEU 53 3HD2 LEU 53 4.354 2.955 11.720
358 HD22 LEU 53 1HD2 LEU 53 4.023 3.502 10.075
359 HD23 LEU 53 2HD2 LEU 53 5.086 2.121 10.349
360 H LYS 54 H LYS 54 3.378 -2.341 8.108
361 HA LYS 54 HA LYS 54 5.437 -3.956 9.462
362 HB2 LYS 54 1HB LYS 54 3.970 -5.739 9.611
363 HB3 LYS 54 2HB LYS 54 2.887 -4.373 9.844
364 HG2 LYS 54 1HG LYS 54 2.357 -4.493 7.399
365 HG3 LYS 54 2HG LYS 54 3.271 -6.002 7.346
366 HD2 LYS 54 1HD LYS 54 1.003 -5.566 9.271
367 HD3 LYS 54 2HD LYS 54 0.745 -6.184 7.638
368 HE2 LYS 54 1HE LYS 54 2.608 -7.433 9.653
369 HE3 LYS 54 2HE LYS 54 0.943 -7.950 9.391
370 HZ1 LYS 54 3HZ LYS 54 1.534 -9.091 7.595
371 HZ2 LYS 54 1HZ LYS 54 3.145 -8.860 8.058
372 HZ3 LYS 54 2HZ LYS 54 2.423 -7.803 6.952
373 H THR 55 H THR 55 3.988 -3.083 6.426
374 HA THR 55 HA THR 55 5.405 -5.110 4.924
375 HB THR 55 HB THR 55 3.722 -2.766 4.024
376 HG1 THR 55 HG1 THR 55 3.275 -5.512 4.458
377 HG21 THR 55 3HG2 THR 55 5.591 -4.390 2.546
378 HG22 THR 55 1HG2 THR 55 4.636 -3.011 2.003
379 HG23 THR 55 2HG2 THR 55 3.949 -4.634 1.951
380 H TYR 56 H TYR 56 5.439 -1.542 4.999
381 HA TYR 56 HA TYR 56 7.787 -1.326 3.417
382 HB2 TYR 56 1HB TYR 56 6.315 0.620 5.187
383 HB3 TYR 56 2HB TYR 56 7.779 1.066 4.318
384 HD1 TYR 56 HD1 TYR 56 4.480 -0.564 3.639
385 HD2 TYR 56 HD2 TYR 56 7.522 2.073 2.261
386 HE1 TYR 56 HE1 TYR 56 3.134 -0.063 1.643
387 HE2 TYR 56 HE2 TYR 56 6.183 2.582 0.262
388 HH TYR 56 HH TYR 56 4.406 1.659 -1.047
389 H ILE 57 H ILE 57 7.300 -0.503 6.856
390 HA ILE 57 HA ILE 57 9.855 -0.067 7.646
391 HB ILE 57 HB ILE 57 7.836 -1.665 9.224
392 HG12 ILE 57 1HG1 ILE 57 6.947 0.494 8.443
393 HG13 ILE 57 2HG1 ILE 57 7.177 0.487 10.188
394 HG21 ILE 57 1HG2 ILE 57 9.113 -0.504 11.146
395 HG22 ILE 57 2HG2 ILE 57 9.831 -1.920 10.381
396 HG23 ILE 57 3HG2 ILE 57 10.399 -0.306 9.956
397 HD11 ILE 57 3HD1 ILE 57 8.212 2.429 9.887
398 HD12 ILE 57 1HD1 ILE 57 9.560 1.478 9.265
399 HD13 ILE 57 2HD1 ILE 57 8.380 2.169 8.151
400 H GLU 58 H GLU 58 8.307 -3.281 7.821
401 HA GLU 58 HA GLU 58 10.733 -4.639 8.383
402 HB2 GLU 58 1HB GLU 58 8.413 -5.463 8.920
403 HB3 GLU 58 2HB GLU 58 8.218 -5.831 7.213
404 HG2 GLU 58 1HG GLU 58 10.315 -7.007 9.023
405 HG3 GLU 58 2HG GLU 58 8.822 -7.802 8.527
Start of MODEL 8
1 H1 GLY 1 H GLY 1 18.095 1.624 -8.112
2 HA2 GLY 1 1HA GLY 1 16.075 0.732 -7.449
3 HA3 GLY 1 2HA GLY 1 16.366 -0.381 -8.778
4 H SER 2 H SER 2 14.961 -0.960 -6.352
5 HA SER 2 HA SER 2 16.391 -2.242 -4.376
6 HB2 SER 2 1HB SER 2 13.654 -2.620 -5.515
7 HB3 SER 2 2HB SER 2 14.265 -3.822 -4.378
8 HG SER 2 HG SER 2 14.542 -2.189 -2.858
9 H SER 3 H SER 3 17.675 -3.959 -4.314
10 HA SER 3 HA SER 3 17.594 -5.843 -6.578
11 HB2 SER 3 1HB SER 3 19.836 -4.699 -4.976
12 HB3 SER 3 2HB SER 3 20.011 -6.345 -5.584
13 HG SER 3 HG SER 3 20.065 -3.958 -6.933
14 H GLY 4 H GLY 4 16.267 -7.441 -5.873
15 HA2 GLY 4 1HA GLY 4 17.276 -9.128 -3.739
16 HA3 GLY 4 2HA GLY 4 15.703 -8.407 -3.431
17 H SER 5 H SER 5 17.227 -11.092 -4.588
18 HA SER 5 HA SER 5 15.783 -11.869 -6.832
19 HB2 SER 5 1HB SER 5 17.659 -13.189 -6.220
20 HB3 SER 5 2HB SER 5 17.027 -13.473 -4.599
21 HG SER 5 HG SER 5 16.757 -15.055 -6.607
22 H SER 6 H SER 6 13.895 -13.027 -7.153
23 HA SER 6 HA SER 6 11.625 -12.418 -5.885
24 HB2 SER 6 1HB SER 6 11.450 -13.734 -7.850
25 HB3 SER 6 2HB SER 6 12.388 -15.051 -7.146
26 HG SER 6 HG SER 6 10.654 -15.777 -6.179
27 H GLY 7 H GLY 7 11.484 -12.254 -3.711
28 HA2 GLY 7 1HA GLY 7 10.799 -14.386 -2.115
29 HA3 GLY 7 2HA GLY 7 12.538 -14.219 -1.921
30 H PHE 8 H PHE 8 9.426 -12.820 -1.273
31 HA PHE 8 HA PHE 8 10.312 -11.503 1.050
32 HB2 PHE 8 1HB PHE 8 10.248 -9.902 -1.457
33 HB3 PHE 8 2HB PHE 8 9.611 -9.146 0.000
34 HD1 PHE 8 HD2 PHE 8 11.244 -9.688 2.137
35 HD2 PHE 8 HD1 PHE 8 12.410 -9.359 -1.943
36 HE1 PHE 8 HE2 PHE 8 13.531 -9.119 2.840
37 HE2 PHE 8 HE1 PHE 8 14.700 -8.790 -1.246
38 HZ PHE 8 HZ PHE 8 15.263 -8.668 1.148
39 H ASP 9 H ASP 9 8.535 -9.795 1.739
40 HA ASP 9 HA ASP 9 6.117 -11.203 1.962
41 HB2 ASP 9 1HB ASP 9 5.234 -8.979 2.844
42 HB3 ASP 9 2HB ASP 9 6.628 -9.657 3.681
43 H GLU 10 H GLU 10 4.893 -11.659 0.240
44 HA GLU 10 HA GLU 10 4.178 -9.438 -1.561
45 HB2 GLU 10 1HB GLU 10 3.971 -11.042 -3.380
46 HB3 GLU 10 2HB GLU 10 5.587 -11.108 -2.692
47 HG2 GLU 10 1HG GLU 10 5.171 -13.327 -2.850
48 HG3 GLU 10 2HG GLU 10 4.502 -13.034 -1.246
49 H ASN 11 H ASN 11 2.807 -10.105 0.843
50 HA ASN 11 HA ASN 11 0.569 -11.756 0.427
51 HB2 ASN 11 1HB ASN 11 1.060 -9.447 2.307
52 HB3 ASN 11 2HB ASN 11 -0.434 -10.380 2.324
53 HD21 ASN 11 1HD2 ASN 11 -0.091 -11.155 4.385
54 HD22 ASN 11 2HD2 ASN 11 1.119 -12.334 4.747
55 H TRP 12 H TRP 12 0.835 -8.203 0.285
56 HA TRP 12 HA TRP 12 -1.796 -7.898 -0.798
57 HB2 TRP 12 1HB TRP 12 0.517 -6.031 -0.340
58 HB3 TRP 12 2HB TRP 12 -0.907 -5.504 -1.233
59 HD1 TRP 12 HD1 TRP 12 -0.908 -7.695 1.955
60 HE1 TRP 12 HE1 TRP 12 -2.256 -6.463 3.769
61 HE3 TRP 12 HE3 TRP 12 -1.827 -3.330 -0.542
62 HZ2 TRP 12 HZ2 TRP 12 -3.539 -3.970 4.097
63 HZ3 TRP 12 HZ3 TRP 12 -3.123 -1.573 0.592
64 HH2 TRP 12 HH2 TRP 12 -3.960 -1.888 2.864
65 H GLY 13 H GLY 13 -2.331 -7.077 -2.895
66 HA2 GLY 13 1HA GLY 13 -0.760 -8.309 -4.978
67 HA3 GLY 13 2HA GLY 13 -2.290 -7.469 -5.180
68 H ALA 14 H ALA 14 -0.873 -6.827 -7.140
69 HA ALA 14 HA ALA 14 1.136 -4.841 -6.707
70 HB1 ALA 14 3HB ALA 14 1.252 -6.148 -8.703
71 HB2 ALA 14 1HB ALA 14 -0.377 -5.666 -9.179
72 HB3 ALA 14 2HB ALA 14 0.928 -4.478 -9.170
73 H ASP 15 H ASP 15 -2.298 -4.776 -7.546
74 HA ASP 15 HA ASP 15 -2.461 -1.982 -7.977
75 HB2 ASP 15 1HB ASP 15 -4.979 -2.500 -7.381
76 HB3 ASP 15 2HB ASP 15 -4.273 -3.075 -8.889
77 H GLU 16 H GLU 16 -3.893 -3.822 -5.277
78 HA GLU 16 HA GLU 16 -4.428 -1.715 -3.602
79 HB2 GLU 16 1HB GLU 16 -4.494 -3.288 -1.789
80 HB3 GLU 16 2HB GLU 16 -5.101 -4.089 -3.232
81 HG2 GLU 16 1HG GLU 16 -3.021 -5.255 -3.524
82 HG3 GLU 16 2HG GLU 16 -2.292 -4.363 -2.190
83 H GLU 17 H GLU 17 -1.368 -2.942 -4.500
84 HA GLU 17 HA GLU 17 0.033 -1.897 -2.193
85 HB2 GLU 17 1HB GLU 17 0.798 -3.380 -4.666
86 HB3 GLU 17 2HB GLU 17 2.039 -2.447 -3.840
87 HG2 GLU 17 1HG GLU 17 0.332 -4.460 -2.413
88 HG3 GLU 17 2HG GLU 17 1.832 -4.897 -3.229
89 H LEU 18 H LEU 18 -0.698 -0.928 -5.470
90 HA LEU 18 HA LEU 18 1.151 1.268 -5.506
91 HB2 LEU 18 1HB LEU 18 0.743 0.642 -7.646
92 HB3 LEU 18 2HB LEU 18 -0.916 0.156 -7.302
93 HG LEU 18 HG LEU 18 -1.407 2.680 -7.168
94 HD11 LEU 18 1HD1 LEU 18 1.319 2.867 -7.476
95 HD12 LEU 18 2HD1 LEU 18 0.156 4.170 -7.719
96 HD13 LEU 18 3HD1 LEU 18 0.707 3.212 -9.094
97 HD21 LEU 18 3HD2 LEU 18 -2.221 2.543 -9.270
98 HD22 LEU 18 1HD2 LEU 18 -1.721 0.858 -9.117
99 HD23 LEU 18 2HD2 LEU 18 -0.681 2.013 -9.950
100 H LEU 19 H LEU 19 -2.364 0.940 -5.119
101 HA LEU 19 HA LEU 19 -3.015 3.635 -4.913
102 HB2 LEU 19 1HB LEU 19 -4.239 1.178 -3.693
103 HB3 LEU 19 2HB LEU 19 -4.932 2.782 -3.465
104 HG LEU 19 HG LEU 19 -5.937 1.288 -5.279
105 HD11 LEU 19 1HD1 LEU 19 -6.137 3.252 -6.850
106 HD12 LEU 19 2HD1 LEU 19 -5.023 4.108 -5.785
107 HD13 LEU 19 3HD1 LEU 19 -6.582 3.558 -5.171
108 HD21 LEU 19 3HD2 LEU 19 -4.782 1.462 -7.471
109 HD22 LEU 19 1HD2 LEU 19 -3.921 0.469 -6.295
110 HD23 LEU 19 2HD2 LEU 19 -3.372 2.111 -6.633
111 H LEU 20 H LEU 20 -2.456 1.354 -2.225
112 HA LEU 20 HA LEU 20 -2.666 2.862 -0.039
113 HB2 LEU 20 1HB LEU 20 -1.818 0.537 -0.100
114 HB3 LEU 20 2HB LEU 20 -0.243 1.155 -0.594
115 HG LEU 20 HG LEU 20 -0.032 2.318 1.553
116 HD11 LEU 20 1HD1 LEU 20 -1.701 1.581 3.350
117 HD12 LEU 20 2HD1 LEU 20 -2.764 1.170 2.005
118 HD13 LEU 20 3HD1 LEU 20 -2.210 2.831 2.213
119 HD21 LEU 20 3HD2 LEU 20 0.152 0.289 2.984
120 HD22 LEU 20 1HD2 LEU 20 0.916 0.123 1.402
121 HD23 LEU 20 2HD2 LEU 20 -0.650 -0.628 1.708
122 H ILE 21 H ILE 21 0.336 2.818 -1.967
123 HA ILE 21 HA ILE 21 1.600 4.902 -0.561
124 HB ILE 21 HB ILE 21 2.033 3.981 -3.405
125 HG12 ILE 21 1HG1 ILE 21 3.786 3.369 -1.042
126 HG13 ILE 21 2HG1 ILE 21 2.365 2.386 -1.378
127 HG21 ILE 21 1HG2 ILE 21 3.026 6.077 -3.362
128 HG22 ILE 21 2HG2 ILE 21 3.509 5.924 -1.674
129 HG23 ILE 21 3HG2 ILE 21 4.355 5.006 -2.919
130 HD11 ILE 21 3HD1 ILE 21 3.234 1.664 -3.441
131 HD12 ILE 21 1HD1 ILE 21 4.503 2.889 -3.421
132 HD13 ILE 21 2HD1 ILE 21 4.558 1.543 -2.283
133 H ASP 22 H ASP 22 -0.037 4.960 -3.730
134 HA ASP 22 HA ASP 22 0.172 7.592 -4.383
135 HB2 ASP 22 1HB ASP 22 -1.927 5.536 -4.844
136 HB3 ASP 22 2HB ASP 22 -2.345 7.208 -5.206
137 H ALA 23 H ALA 23 -2.093 6.170 -2.075
138 HA ALA 23 HA ALA 23 -3.423 8.657 -1.537
139 HB1 ALA 23 3HB ALA 23 -4.818 6.863 -1.158
140 HB2 ALA 23 1HB ALA 23 -3.550 5.900 -0.398
141 HB3 ALA 23 2HB ALA 23 -4.283 7.245 0.478
142 H CYS 24 H CYS 24 -1.047 6.646 0.177
143 HA CYS 24 HA CYS 24 -0.788 7.980 2.540
144 HB2 CYS 24 1HB CYS 24 1.383 6.784 0.812
145 HB3 CYS 24 2HB CYS 24 1.646 7.320 2.467
146 HG CYS 24 HG CYS 24 0.215 4.521 1.333
147 H GLU 25 H GLU 25 0.584 8.909 -0.581
148 HA GLU 25 HA GLU 25 1.765 11.304 0.588
149 HB2 GLU 25 1HB GLU 25 2.006 9.876 -2.017
150 HB3 GLU 25 2HB GLU 25 2.340 11.602 -1.990
151 HG2 GLU 25 1HG GLU 25 3.688 9.539 -0.261
152 HG3 GLU 25 2HG GLU 25 4.364 10.253 -1.725
153 H THR 26 H THR 26 -0.872 10.328 -1.496
154 HA THR 26 HA THR 26 -1.555 12.993 -2.311
155 HB THR 26 HB THR 26 -3.054 10.380 -2.514
156 HG1 THR 26 HG1 THR 26 -1.460 11.941 -4.247
157 HG21 THR 26 3HG2 THR 26 -3.809 13.002 -3.799
158 HG22 THR 26 1HG2 THR 26 -4.576 12.369 -2.344
159 HG23 THR 26 2HG2 THR 26 -4.697 11.480 -3.862
160 H LEU 27 H LEU 27 -3.516 10.634 -0.494
161 HA LEU 27 HA LEU 27 -5.127 12.671 0.675
162 HB2 LEU 27 1HB LEU 27 -4.838 9.776 1.463
163 HB3 LEU 27 2HB LEU 27 -6.134 10.862 1.959
164 HG LEU 27 HG LEU 27 -5.612 9.922 -0.861
165 HD11 LEU 27 1HD1 LEU 27 -7.894 9.204 0.964
166 HD12 LEU 27 2HD1 LEU 27 -6.460 8.199 0.756
167 HD13 LEU 27 3HD1 LEU 27 -7.515 8.525 -0.619
168 HD21 LEU 27 3HD2 LEU 27 -7.918 11.514 0.252
169 HD22 LEU 27 1HD2 LEU 27 -7.686 11.012 -1.422
170 HD23 LEU 27 2HD2 LEU 27 -6.591 12.188 -0.695
171 H GLY 28 H GLY 28 -2.523 10.592 1.902
172 HA2 GLY 28 1HA GLY 28 -0.906 11.575 3.433
173 HA3 GLY 28 2HA GLY 28 -2.229 12.481 4.151
174 H LEU 29 H LEU 29 -0.189 10.411 5.136
175 HA LEU 29 HA LEU 29 -1.702 8.145 5.961
176 HB2 LEU 29 1HB LEU 29 0.948 9.297 6.757
177 HB3 LEU 29 2HB LEU 29 0.256 7.927 7.623
178 HG LEU 29 HG LEU 29 0.567 7.771 4.658
179 HD11 LEU 29 1HD1 LEU 29 2.720 8.556 6.010
180 HD12 LEU 29 2HD1 LEU 29 2.805 7.412 4.671
181 HD13 LEU 29 3HD1 LEU 29 2.816 6.825 6.334
182 HD21 LEU 29 3HD2 LEU 29 1.162 5.566 6.549
183 HD22 LEU 29 1HD2 LEU 29 0.375 5.528 4.971
184 HD23 LEU 29 2HD2 LEU 29 -0.520 6.074 6.389
185 H GLY 30 H GLY 30 -1.190 11.332 7.247
186 HA2 GLY 30 1HA GLY 30 -1.631 11.148 9.915
187 HA3 GLY 30 2HA GLY 30 -2.345 12.416 8.930
188 H ASN 31 H ASN 31 -4.046 10.662 7.399
189 HA ASN 31 HA ASN 31 -5.913 9.753 9.488
190 HB2 ASN 31 1HB ASN 31 -6.643 11.919 8.546
191 HB3 ASN 31 2HB ASN 31 -6.650 11.205 6.936
192 HD21 ASN 31 1HD2 ASN 31 -8.316 11.553 9.910
193 HD22 ASN 31 2HD2 ASN 31 -9.737 10.672 9.473
194 H TRP 32 H TRP 32 -5.333 7.596 9.209
195 HA TRP 32 HA TRP 32 -5.072 6.254 6.776
196 HB2 TRP 32 1HB TRP 32 -5.882 5.262 9.511
197 HB3 TRP 32 2HB TRP 32 -5.601 4.188 8.143
198 HD1 TRP 32 HD1 TRP 32 -3.796 6.136 10.810
199 HE1 TRP 32 HE1 TRP 32 -1.264 5.717 10.616
200 HE3 TRP 32 HE3 TRP 32 -3.716 3.723 6.304
201 HZ2 TRP 32 HZ2 TRP 32 0.530 4.522 8.794
202 HZ3 TRP 32 HZ3 TRP 32 -1.551 2.975 5.405
203 HH2 TRP 32 HH2 TRP 32 0.527 3.367 6.626
204 H ALA 33 H ALA 33 -7.920 6.890 8.755
205 HA ALA 33 HA ALA 33 -9.832 5.274 7.743
206 HB1 ALA 33 3HB ALA 33 -11.401 7.286 7.939
207 HB2 ALA 33 1HB ALA 33 -10.512 6.796 9.382
208 HB3 ALA 33 2HB ALA 33 -9.972 8.189 8.443
209 H ASP 34 H ASP 34 -8.481 8.116 6.136
210 HA ASP 34 HA ASP 34 -10.244 7.991 3.892
211 HB2 ASP 34 1HB ASP 34 -8.822 9.991 4.791
212 HB3 ASP 34 2HB ASP 34 -7.548 9.303 3.788
213 H ILE 35 H ILE 35 -6.803 7.167 4.322
214 HA ILE 35 HA ILE 35 -6.255 6.198 1.802
215 HB ILE 35 HB ILE 35 -5.217 5.184 4.449
216 HG12 ILE 35 1HG1 ILE 35 -3.938 7.054 2.447
217 HG13 ILE 35 2HG1 ILE 35 -4.821 7.598 3.869
218 HG21 ILE 35 1HG2 ILE 35 -4.147 3.575 3.361
219 HG22 ILE 35 2HG2 ILE 35 -4.895 4.087 1.849
220 HG23 ILE 35 3HG2 ILE 35 -3.355 4.785 2.352
221 HD11 ILE 35 3HD1 ILE 35 -2.233 7.408 3.923
222 HD12 ILE 35 1HD1 ILE 35 -3.185 6.896 5.316
223 HD13 ILE 35 2HD1 ILE 35 -2.553 5.694 4.190
224 H ALA 36 H ALA 36 -7.900 4.594 4.466
225 HA ALA 36 HA ALA 36 -7.917 1.980 3.480
226 HB1 ALA 36 3HB ALA 36 -9.611 1.524 5.046
227 HB2 ALA 36 1HB ALA 36 -8.642 2.807 5.771
228 HB3 ALA 36 2HB ALA 36 -10.194 3.188 5.024
229 H ASP 37 H ASP 37 -10.412 4.505 3.136
230 HA ASP 37 HA ASP 37 -12.085 3.014 1.430
231 HB2 ASP 37 1HB ASP 37 -12.704 5.098 2.729
232 HB3 ASP 37 2HB ASP 37 -11.864 6.026 1.489
233 H TYR 38 H TYR 38 -9.139 4.671 0.865
234 HA TYR 38 HA TYR 38 -9.572 4.981 -1.984
235 HB2 TYR 38 1HB TYR 38 -8.216 6.591 -0.581
236 HB3 TYR 38 2HB TYR 38 -6.986 5.337 -0.463
237 HD1 TYR 38 HD2 TYR 38 -8.682 7.678 -2.736
238 HD2 TYR 38 HD1 TYR 38 -5.562 4.814 -2.328
239 HE1 TYR 38 HE2 TYR 38 -7.717 8.434 -4.869
240 HE2 TYR 38 HE1 TYR 38 -4.588 5.562 -4.459
241 HH TYR 38 HH TYR 38 -4.597 7.372 -5.953
242 H VAL 39 H VAL 39 -7.786 2.874 0.203
243 HA VAL 39 HA VAL 39 -6.558 1.400 -1.959
244 HB VAL 39 HB VAL 39 -6.626 0.810 1.004
245 HG11 VAL 39 1HG1 VAL 39 -4.552 -0.303 -0.806
246 HG12 VAL 39 2HG1 VAL 39 -5.242 -0.971 0.674
247 HG13 VAL 39 3HG1 VAL 39 -6.154 -1.041 -0.835
248 HG21 VAL 39 3HG2 VAL 39 -5.489 2.939 0.276
249 HG22 VAL 39 1HG2 VAL 39 -4.466 1.788 1.136
250 HG23 VAL 39 2HG2 VAL 39 -4.350 1.933 -0.618
251 H GLY 40 H GLY 40 -8.492 0.215 0.792
252 HA2 GLY 40 1HA GLY 40 -10.257 -1.265 0.860
253 HA3 GLY 40 2HA GLY 40 -10.451 -1.031 -0.871
254 H ASN 41 H ASN 41 -10.465 -2.967 -1.802
255 HA ASN 41 HA ASN 41 -9.902 -5.097 -2.374
256 HB2 ASN 41 1HB ASN 41 -7.095 -4.575 -1.452
257 HB3 ASN 41 2HB ASN 41 -7.654 -5.470 -2.863
258 HD21 ASN 41 1HD2 ASN 41 -6.284 -2.654 -1.830
259 HD22 ASN 41 2HD2 ASN 41 -6.611 -1.660 -3.205
260 H ALA 42 H ALA 42 -11.127 -5.146 -0.036
261 HA ALA 42 HA ALA 42 -11.501 -6.470 1.779
262 HB1 ALA 42 3HB ALA 42 -9.472 -7.945 0.262
263 HB2 ALA 42 1HB ALA 42 -9.536 -8.339 1.980
264 HB3 ALA 42 2HB ALA 42 -10.982 -8.503 0.983
265 H ARG 43 H ARG 43 -9.701 -4.096 1.832
266 HA ARG 43 HA ARG 43 -8.243 -4.750 4.308
267 HB2 ARG 43 1HB ARG 43 -7.511 -2.537 2.391
268 HB3 ARG 43 2HB ARG 43 -6.571 -3.134 3.752
269 HG2 ARG 43 1HG ARG 43 -7.224 -4.753 1.301
270 HG3 ARG 43 2HG ARG 43 -5.721 -3.861 1.544
271 HD2 ARG 43 1HD ARG 43 -5.064 -5.241 3.326
272 HD3 ARG 43 2HD ARG 43 -6.687 -5.900 3.523
273 HE ARG 43 HE ARG 43 -5.467 -6.476 0.976
274 HH11 ARG 43 1HH1 ARG 43 -5.906 -7.514 4.269
275 HH12 ARG 43 2HH1 ARG 43 -5.571 -9.179 3.927
276 HH21 ARG 43 1HH2 ARG 43 -5.024 -8.665 0.512
277 HH22 ARG 43 2HH2 ARG 43 -5.068 -9.832 1.789
278 H THR 44 H THR 44 -7.747 -2.529 5.497
279 HA THR 44 HA THR 44 -9.740 -0.504 5.332
280 HB THR 44 HB THR 44 -11.157 -2.229 6.326
281 HG1 THR 44 HG1 THR 44 -11.266 0.042 7.031
282 HG21 THR 44 3HG2 THR 44 -10.365 -2.626 8.888
283 HG22 THR 44 1HG2 THR 44 -8.807 -2.587 8.064
284 HG23 THR 44 2HG2 THR 44 -10.038 -3.748 7.567
285 H LYS 45 H LYS 45 -9.450 1.174 6.917
286 HA LYS 45 HA LYS 45 -6.991 2.080 7.390
287 HB2 LYS 45 1HB LYS 45 -7.844 3.271 9.395
288 HB3 LYS 45 2HB LYS 45 -8.930 3.377 8.016
289 HG2 LYS 45 1HG LYS 45 -10.065 1.301 9.133
290 HG3 LYS 45 2HG LYS 45 -9.262 1.907 10.583
291 HD2 LYS 45 1HD LYS 45 -10.380 4.015 10.404
292 HD3 LYS 45 2HD LYS 45 -11.026 3.596 8.816
293 HE2 LYS 45 1HE LYS 45 -12.776 3.336 10.428
294 HE3 LYS 45 2HE LYS 45 -12.279 1.732 9.891
295 HZ1 LYS 45 3HZ LYS 45 -11.007 2.853 12.280
296 HZ2 LYS 45 1HZ LYS 45 -11.356 1.242 11.900
297 HZ3 LYS 45 2HZ LYS 45 -12.591 2.276 12.417
298 H GLU 46 H GLU 46 -8.704 0.049 9.771
299 HA GLU 46 HA GLU 46 -6.758 -0.208 11.677
300 HB2 GLU 46 1HB GLU 46 -8.790 -2.186 10.669
301 HB3 GLU 46 2HB GLU 46 -7.712 -2.576 12.002
302 HG2 GLU 46 1HG GLU 46 -8.660 -0.983 13.401
303 HG3 GLU 46 2HG GLU 46 -9.388 -0.100 12.060
304 H GLU 47 H GLU 47 -7.080 -2.104 8.696
305 HA GLU 47 HA GLU 47 -4.631 -3.552 9.244
306 HB2 GLU 47 1HB GLU 47 -6.644 -3.614 7.010
307 HB3 GLU 47 2HB GLU 47 -5.112 -4.467 6.883
308 HG2 GLU 47 1HG GLU 47 -6.957 -4.895 9.203
309 HG3 GLU 47 2HG GLU 47 -7.150 -5.773 7.687
310 H CYS 48 H CYS 48 -5.744 -1.620 6.456
311 HA CYS 48 HA CYS 48 -3.488 -1.277 5.053
312 HB2 CYS 48 1HB CYS 48 -5.556 0.804 5.756
313 HB3 CYS 48 2HB CYS 48 -4.273 1.105 4.591
314 HG CYS 48 HG CYS 48 -7.124 0.093 3.846
315 H ARG 49 H ARG 49 -4.181 0.221 8.148
316 HA ARG 49 HA ARG 49 -2.035 2.055 8.171
317 HB2 ARG 49 1HB ARG 49 -3.823 2.363 9.726
318 HB3 ARG 49 2HB ARG 49 -3.602 0.751 10.394
319 HG2 ARG 49 1HG ARG 49 -1.614 1.363 11.490
320 HG3 ARG 49 2HG ARG 49 -1.477 2.862 10.568
321 HD2 ARG 49 1HD ARG 49 -3.836 3.323 11.684
322 HD3 ARG 49 2HD ARG 49 -3.207 2.204 12.892
323 HE ARG 49 HE ARG 49 -1.339 4.266 12.251
324 HH11 ARG 49 1HH1 ARG 49 -4.175 3.524 14.129
325 HH12 ARG 49 2HH1 ARG 49 -3.852 4.727 15.333
326 HH21 ARG 49 1HH2 ARG 49 -0.903 5.853 13.830
327 HH22 ARG 49 2HH2 ARG 49 -1.991 6.052 15.161
328 H ASP 50 H ASP 50 -2.279 -0.818 10.257
329 HA ASP 50 HA ASP 50 0.421 -0.991 10.866
330 HB2 ASP 50 1HB ASP 50 -1.759 -3.069 10.800
331 HB3 ASP 50 2HB ASP 50 -0.119 -3.465 11.307
332 H HIS 51 H HIS 51 -1.383 -2.664 8.302
333 HA HIS 51 HA HIS 51 0.466 -4.321 7.233
334 HB2 HIS 51 1HB HIS 51 -1.642 -4.257 6.180
335 HB3 HIS 51 2HB HIS 51 -1.527 -2.529 5.862
336 HD1 HIS 51 HD1 HIS 51 0.096 -5.770 4.735
337 HD2 HIS 51 HD2 HIS 51 -0.619 -1.910 3.376
338 HE1 HIS 51 HE1 HIS 51 0.860 -5.748 2.339
339 HE2 HIS 51 HE2 HIS 51 0.496 -3.380 1.564
340 H TYR 52 H TYR 52 0.315 -0.819 6.728
341 HA TYR 52 HA TYR 52 2.623 -0.798 5.012
342 HB2 TYR 52 1HB TYR 52 0.793 0.869 4.811
343 HB3 TYR 52 2HB TYR 52 1.239 1.516 6.386
344 HD1 TYR 52 HD2 TYR 52 3.866 2.104 6.552
345 HD2 TYR 52 HD1 TYR 52 1.579 1.998 2.966
346 HE1 TYR 52 HE2 TYR 52 5.491 3.606 5.479
347 HE2 TYR 52 HE1 TYR 52 3.198 3.499 1.882
348 HH TYR 52 HH TYR 52 4.972 4.834 2.203
349 H LEU 53 H LEU 53 1.951 -0.192 8.406
350 HA LEU 53 HA LEU 53 4.567 0.829 8.989
351 HB2 LEU 53 1HB LEU 53 2.335 -0.154 10.756
352 HB3 LEU 53 2HB LEU 53 3.843 0.525 11.366
353 HG LEU 53 HG LEU 53 1.979 2.057 9.567
354 HD11 LEU 53 1HD1 LEU 53 0.535 2.121 11.261
355 HD12 LEU 53 2HD1 LEU 53 1.728 3.110 12.102
356 HD13 LEU 53 3HD1 LEU 53 1.680 1.368 12.372
357 HD21 LEU 53 3HD2 LEU 53 3.393 3.776 9.807
358 HD22 LEU 53 1HD2 LEU 53 4.566 2.549 10.285
359 HD23 LEU 53 2HD2 LEU 53 3.668 3.437 11.517
360 H LYS 54 H LYS 54 3.408 -2.223 8.322
361 HA LYS 54 HA LYS 54 5.529 -3.515 9.905
362 HB2 LYS 54 1HB LYS 54 4.254 -5.457 10.030
363 HB3 LYS 54 2HB LYS 54 3.040 -4.192 10.168
364 HG2 LYS 54 1HG LYS 54 2.342 -4.493 7.923
365 HG3 LYS 54 2HG LYS 54 3.725 -5.530 7.565
366 HD2 LYS 54 1HD LYS 54 2.710 -6.972 9.530
367 HD3 LYS 54 2HD LYS 54 1.225 -6.137 9.067
368 HE2 LYS 54 1HE LYS 54 1.108 -7.977 7.708
369 HE3 LYS 54 2HE LYS 54 1.959 -6.854 6.649
370 HZ1 LYS 54 3HZ LYS 54 3.973 -8.032 8.005
371 HZ2 LYS 54 1HZ LYS 54 3.441 -8.494 6.466
372 HZ3 LYS 54 2HZ LYS 54 2.878 -9.310 7.836
373 H THR 55 H THR 55 4.229 -3.005 6.719
374 HA THR 55 HA THR 55 6.016 -4.928 5.484
375 HB THR 55 HB THR 55 4.080 -2.951 4.266
376 HG1 THR 55 HG1 THR 55 3.819 -5.740 4.098
377 HG21 THR 55 3HG2 THR 55 5.415 -5.221 2.820
378 HG22 THR 55 1HG2 THR 55 6.128 -3.610 2.867
379 HG23 THR 55 2HG2 THR 55 4.536 -3.849 2.146
380 H TYR 56 H TYR 56 5.718 -1.436 5.836
381 HA TYR 56 HA TYR 56 8.047 -0.951 4.174
382 HB2 TYR 56 1HB TYR 56 6.296 0.929 5.769
383 HB3 TYR 56 2HB TYR 56 7.629 1.440 4.740
384 HD1 TYR 56 HD1 TYR 56 4.584 -0.724 4.489
385 HD2 TYR 56 HD2 TYR 56 7.071 2.190 2.637
386 HE1 TYR 56 HE1 TYR 56 3.061 -0.659 2.560
387 HE2 TYR 56 HE2 TYR 56 5.554 2.263 0.703
388 HH TYR 56 HH TYR 56 3.793 1.304 -0.294
389 H ILE 57 H ILE 57 7.174 0.062 7.483
390 HA ILE 57 HA ILE 57 9.785 0.671 8.285
391 HB ILE 57 HB ILE 57 7.454 -0.185 10.006
392 HG12 ILE 57 1HG1 ILE 57 6.804 1.754 8.799
393 HG13 ILE 57 2HG1 ILE 57 7.307 2.328 10.385
394 HG21 ILE 57 1HG2 ILE 57 8.613 0.871 11.845
395 HG22 ILE 57 2HG2 ILE 57 9.637 -0.377 11.136
396 HG23 ILE 57 3HG2 ILE 57 9.946 1.323 10.782
397 HD11 ILE 57 3HD1 ILE 57 8.469 2.819 7.736
398 HD12 ILE 57 1HD1 ILE 57 8.447 3.833 9.179
399 HD13 ILE 57 2HD1 ILE 57 9.628 2.531 9.033
400 H GLU 58 H GLU 58 7.865 -2.116 9.421
401 HA GLU 58 HA GLU 58 10.193 -3.506 10.319
402 HB2 GLU 58 1HB GLU 58 7.326 -4.394 9.981
403 HB3 GLU 58 2HB GLU 58 8.583 -5.396 10.691
404 HG2 GLU 58 1HG GLU 58 8.928 -3.601 12.398
405 HG3 GLU 58 2HG GLU 58 7.500 -2.799 11.748
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -19.058 -27.185 8.195
2 HA2 GLY 1 1HA GLY 1 -17.375 -28.834 8.039
3 HA3 GLY 1 2HA GLY 1 -17.564 -28.309 6.373
4 H SER 2 H SER 2 -16.046 -26.686 9.146
5 HA SER 2 HA SER 2 -13.432 -26.963 7.868
6 HB2 SER 2 1HB SER 2 -12.961 -24.647 7.813
7 HB3 SER 2 2HB SER 2 -14.587 -24.788 7.144
8 HG SER 2 HG SER 2 -15.118 -23.424 8.643
9 H SER 3 H SER 3 -11.673 -26.092 9.324
10 HA SER 3 HA SER 3 -12.381 -26.609 12.138
11 HB2 SER 3 1HB SER 3 -10.021 -27.458 10.495
12 HB3 SER 3 2HB SER 3 -9.837 -27.247 12.236
13 HG SER 3 HG SER 3 -12.029 -28.720 11.359
14 H GLY 4 H GLY 4 -12.590 -24.041 11.099
15 HA2 GLY 4 1HA GLY 4 -12.069 -21.954 12.011
16 HA3 GLY 4 2HA GLY 4 -10.658 -22.667 12.778
17 H SER 5 H SER 5 -11.830 -20.862 10.135
18 HA SER 5 HA SER 5 -9.736 -21.281 8.285
19 HB2 SER 5 1HB SER 5 -11.809 -19.152 8.676
20 HB3 SER 5 2HB SER 5 -10.503 -18.888 7.521
21 HG SER 5 HG SER 5 -11.259 -21.217 6.895
22 H SER 6 H SER 6 -7.801 -20.279 7.984
23 HA SER 6 HA SER 6 -7.042 -18.018 9.640
24 HB2 SER 6 1HB SER 6 -5.849 -20.762 9.939
25 HB3 SER 6 2HB SER 6 -4.886 -19.324 10.278
26 HG SER 6 HG SER 6 -6.489 -18.712 11.796
27 H GLY 7 H GLY 7 -5.004 -17.058 8.988
28 HA2 GLY 7 1HA GLY 7 -3.237 -17.766 7.081
29 HA3 GLY 7 2HA GLY 7 -4.629 -17.280 6.125
30 H PHE 8 H PHE 8 -2.103 -16.209 8.280
31 HA PHE 8 HA PHE 8 -2.912 -13.421 7.994
32 HB2 PHE 8 1HB PHE 8 -0.536 -14.537 9.493
33 HB3 PHE 8 2HB PHE 8 -1.222 -12.922 9.640
34 HD1 PHE 8 HD1 PHE 8 -2.000 -16.511 10.172
35 HD2 PHE 8 HD2 PHE 8 -2.870 -12.478 11.219
36 HE1 PHE 8 HE1 PHE 8 -3.454 -17.301 11.993
37 HE2 PHE 8 HE2 PHE 8 -4.324 -13.261 13.042
38 HZ PHE 8 HZ PHE 8 -4.617 -15.675 13.432
39 H ASP 9 H ASP 9 -2.242 -14.506 5.579
40 HA ASP 9 HA ASP 9 0.499 -14.133 4.900
41 HB2 ASP 9 1HB ASP 9 -0.431 -14.148 2.520
42 HB3 ASP 9 2HB ASP 9 -0.720 -15.588 3.492
43 H GLU 10 H GLU 10 1.458 -12.213 5.007
44 HA GLU 10 HA GLU 10 -0.054 -9.776 4.528
45 HB2 GLU 10 1HB GLU 10 1.753 -8.608 5.477
46 HB3 GLU 10 2HB GLU 10 1.639 -10.091 6.414
47 HG2 GLU 10 1HG GLU 10 3.678 -9.310 4.372
48 HG3 GLU 10 2HG GLU 10 3.915 -9.827 6.041
49 H ASN 11 H ASN 11 0.428 -11.576 2.304
50 HA ASN 11 HA ASN 11 2.382 -10.151 0.667
51 HB2 ASN 11 1HB ASN 11 2.426 -12.596 0.593
52 HB3 ASN 11 2HB ASN 11 0.742 -12.626 0.079
53 HD21 ASN 11 1HD2 ASN 11 3.924 -11.398 -0.843
54 HD22 ASN 11 2HD2 ASN 11 3.673 -11.523 -2.548
55 H TRP 12 H TRP 12 1.236 -8.178 0.453
56 HA TRP 12 HA TRP 12 -1.405 -8.048 -0.593
57 HB2 TRP 12 1HB TRP 12 0.804 -6.055 -0.191
58 HB3 TRP 12 2HB TRP 12 -0.634 -5.608 -1.105
59 HD1 TRP 12 HD1 TRP 12 -0.494 -7.705 2.151
60 HE1 TRP 12 HE1 TRP 12 -1.941 -6.520 3.919
61 HE3 TRP 12 HE3 TRP 12 -1.757 -3.522 -0.503
62 HZ2 TRP 12 HZ2 TRP 12 -3.422 -4.129 4.158
63 HZ3 TRP 12 HZ3 TRP 12 -3.193 -1.835 0.568
64 HH2 TRP 12 HH2 TRP 12 -4.008 -2.134 2.850
65 H GLY 13 H GLY 13 -1.789 -6.693 -2.670
66 HA2 GLY 13 1HA GLY 13 -0.175 -7.940 -4.802
67 HA3 GLY 13 2HA GLY 13 -1.864 -7.480 -4.961
68 H ALA 14 H ALA 14 0.324 -6.745 -6.689
69 HA ALA 14 HA ALA 14 1.454 -4.284 -6.352
70 HB1 ALA 14 3HB ALA 14 0.795 -5.965 -8.587
71 HB2 ALA 14 1HB ALA 14 0.570 -4.267 -9.007
72 HB3 ALA 14 2HB ALA 14 2.128 -4.826 -8.397
73 H ASP 15 H ASP 15 -1.886 -4.996 -7.215
74 HA ASP 15 HA ASP 15 -2.672 -2.364 -7.850
75 HB2 ASP 15 1HB ASP 15 -4.487 -4.451 -6.648
76 HB3 ASP 15 2HB ASP 15 -4.907 -3.159 -7.769
77 H GLU 16 H GLU 16 -3.679 -4.172 -4.949
78 HA GLU 16 HA GLU 16 -4.445 -1.916 -3.489
79 HB2 GLU 16 1HB GLU 16 -4.361 -3.403 -1.509
80 HB3 GLU 16 2HB GLU 16 -5.212 -4.124 -2.869
81 HG2 GLU 16 1HG GLU 16 -3.133 -5.368 -3.428
82 HG3 GLU 16 2HG GLU 16 -2.418 -4.741 -1.944
83 H GLU 17 H GLU 17 -1.345 -3.059 -4.254
84 HA GLU 17 HA GLU 17 -0.024 -1.919 -1.945
85 HB2 GLU 17 1HB GLU 17 0.886 -3.346 -4.418
86 HB3 GLU 17 2HB GLU 17 2.046 -2.441 -3.456
87 HG2 GLU 17 1HG GLU 17 1.265 -3.785 -1.471
88 HG3 GLU 17 2HG GLU 17 0.395 -4.804 -2.617
89 H LEU 18 H LEU 18 -0.662 -1.068 -5.286
90 HA LEU 18 HA LEU 18 1.072 1.216 -5.295
91 HB2 LEU 18 1HB LEU 18 0.787 0.499 -7.431
92 HB3 LEU 18 2HB LEU 18 -0.872 -0.024 -7.149
93 HG LEU 18 HG LEU 18 -1.415 2.504 -7.098
94 HD11 LEU 18 1HD1 LEU 18 0.306 3.881 -7.349
95 HD12 LEU 18 2HD1 LEU 18 0.479 3.281 -8.998
96 HD13 LEU 18 3HD1 LEU 18 1.400 2.540 -7.689
97 HD21 LEU 18 3HD2 LEU 18 -2.183 2.274 -9.210
98 HD22 LEU 18 1HD2 LEU 18 -1.665 0.603 -8.980
99 HD23 LEU 18 2HD2 LEU 18 -0.622 1.739 -9.837
100 H LEU 19 H LEU 19 -2.412 0.690 -4.937
101 HA LEU 19 HA LEU 19 -3.202 3.375 -4.863
102 HB2 LEU 19 1HB LEU 19 -4.405 0.962 -3.516
103 HB3 LEU 19 2HB LEU 19 -5.192 2.534 -3.636
104 HG LEU 19 HG LEU 19 -4.336 1.128 -6.128
105 HD11 LEU 19 1HD1 LEU 19 -6.794 0.502 -4.504
106 HD12 LEU 19 2HD1 LEU 19 -5.507 -0.609 -4.972
107 HD13 LEU 19 3HD1 LEU 19 -6.582 0.061 -6.199
108 HD21 LEU 19 3HD2 LEU 19 -5.222 3.058 -6.851
109 HD22 LEU 19 1HD2 LEU 19 -6.078 3.350 -5.337
110 HD23 LEU 19 2HD2 LEU 19 -6.770 2.268 -6.545
111 H LEU 20 H LEU 20 -2.223 1.181 -2.255
112 HA LEU 20 HA LEU 20 -2.736 2.739 -0.050
113 HB2 LEU 20 1HB LEU 20 -1.937 0.490 0.172
114 HB3 LEU 20 2HB LEU 20 -0.405 0.910 -0.592
115 HG LEU 20 HG LEU 20 0.120 2.342 1.367
116 HD11 LEU 20 1HD1 LEU 20 -1.966 2.920 2.262
117 HD12 LEU 20 2HD1 LEU 20 -1.261 1.816 3.443
118 HD13 LEU 20 3HD1 LEU 20 -2.501 1.240 2.329
119 HD21 LEU 20 3HD2 LEU 20 1.248 0.457 1.788
120 HD22 LEU 20 1HD2 LEU 20 -0.117 -0.569 1.343
121 HD23 LEU 20 2HD2 LEU 20 -0.025 0.122 2.963
122 H ILE 21 H ILE 21 0.255 2.731 -1.985
123 HA ILE 21 HA ILE 21 1.567 4.768 -0.579
124 HB ILE 21 HB ILE 21 1.846 4.024 -3.493
125 HG12 ILE 21 1HG1 ILE 21 3.622 3.201 -1.199
126 HG13 ILE 21 2HG1 ILE 21 2.238 2.237 -1.703
127 HG21 ILE 21 1HG2 ILE 21 3.400 5.597 -3.708
128 HG22 ILE 21 2HG2 ILE 21 2.893 6.227 -2.141
129 HG23 ILE 21 3HG2 ILE 21 4.218 5.068 -2.238
130 HD11 ILE 21 3HD1 ILE 21 3.212 1.651 -3.705
131 HD12 ILE 21 1HD1 ILE 21 4.303 3.036 -3.701
132 HD13 ILE 21 2HD1 ILE 21 4.594 1.681 -2.610
133 H ASP 22 H ASP 22 0.081 5.071 -3.810
134 HA ASP 22 HA ASP 22 0.151 7.721 -4.219
135 HB2 ASP 22 1HB ASP 22 -1.078 5.813 -5.535
136 HB3 ASP 22 2HB ASP 22 -2.493 6.381 -4.654
137 H ALA 23 H ALA 23 -2.052 6.081 -2.009
138 HA ALA 23 HA ALA 23 -3.542 8.422 -1.337
139 HB1 ALA 23 3HB ALA 23 -3.485 5.612 -0.516
140 HB2 ALA 23 1HB ALA 23 -3.938 6.736 0.766
141 HB3 ALA 23 2HB ALA 23 -4.852 6.703 -0.742
142 H CYS 24 H CYS 24 -0.935 6.616 0.269
143 HA CYS 24 HA CYS 24 -0.728 8.016 2.621
144 HB2 CYS 24 1HB CYS 24 1.565 6.980 0.941
145 HB3 CYS 24 2HB CYS 24 1.644 7.368 2.655
146 HG CYS 24 HG CYS 24 0.382 4.650 1.130
147 H GLU 25 H GLU 25 0.503 8.913 -0.559
148 HA GLU 25 HA GLU 25 1.651 11.372 0.508
149 HB2 GLU 25 1HB GLU 25 1.674 10.130 -2.242
150 HB3 GLU 25 2HB GLU 25 2.349 11.717 -1.901
151 HG2 GLU 25 1HG GLU 25 3.775 10.554 -0.145
152 HG3 GLU 25 2HG GLU 25 3.274 9.045 -0.906
153 H THR 26 H THR 26 -1.054 10.260 -1.405
154 HA THR 26 HA THR 26 -1.858 12.875 -2.272
155 HB THR 26 HB THR 26 -3.273 10.208 -2.310
156 HG1 THR 26 HG1 THR 26 -1.417 10.924 -3.794
157 HG21 THR 26 3HG2 THR 26 -5.054 11.736 -2.180
158 HG22 THR 26 1HG2 THR 26 -4.848 11.447 -3.907
159 HG23 THR 26 2HG2 THR 26 -4.221 12.926 -3.179
160 H LEU 27 H LEU 27 -3.663 10.532 -0.282
161 HA LEU 27 HA LEU 27 -5.222 12.599 0.929
162 HB2 LEU 27 1HB LEU 27 -4.944 9.716 1.762
163 HB3 LEU 27 2HB LEU 27 -6.234 10.825 2.223
164 HG LEU 27 HG LEU 27 -5.725 9.845 -0.585
165 HD11 LEU 27 1HD1 LEU 27 -6.596 7.941 0.230
166 HD12 LEU 27 2HD1 LEU 27 -8.120 8.823 0.134
167 HD13 LEU 27 3HD1 LEU 27 -7.251 8.729 1.666
168 HD21 LEU 27 3HD2 LEU 27 -7.820 11.599 0.659
169 HD22 LEU 27 1HD2 LEU 27 -8.101 10.732 -0.850
170 HD23 LEU 27 2HD2 LEU 27 -6.803 11.921 -0.746
171 H GLY 28 H GLY 28 -2.597 10.484 2.045
172 HA2 GLY 28 1HA GLY 28 -0.898 11.394 3.510
173 HA3 GLY 28 2HA GLY 28 -2.142 12.395 4.245
174 H LEU 29 H LEU 29 -0.180 10.111 5.093
175 HA LEU 29 HA LEU 29 -1.749 7.987 6.063
176 HB2 LEU 29 1HB LEU 29 0.916 9.097 6.893
177 HB3 LEU 29 2HB LEU 29 0.194 7.698 7.685
178 HG LEU 29 HG LEU 29 0.644 7.720 4.721
179 HD11 LEU 29 1HD1 LEU 29 2.732 8.245 6.264
180 HD12 LEU 29 2HD1 LEU 29 2.843 7.163 4.876
181 HD13 LEU 29 3HD1 LEU 29 2.678 6.498 6.501
182 HD21 LEU 29 3HD2 LEU 29 -0.613 5.961 6.381
183 HD22 LEU 29 1HD2 LEU 29 1.017 5.290 6.312
184 HD23 LEU 29 2HD2 LEU 29 0.105 5.547 4.824
185 H GLY 30 H GLY 30 -1.232 11.205 7.222
186 HA2 GLY 30 1HA GLY 30 -1.638 11.099 9.912
187 HA3 GLY 30 2HA GLY 30 -2.332 12.352 8.894
188 H ASN 31 H ASN 31 -4.012 10.436 7.427
189 HA ASN 31 HA ASN 31 -5.903 9.660 9.541
190 HB2 ASN 31 1HB ASN 31 -6.482 11.870 8.393
191 HB3 ASN 31 2HB ASN 31 -6.793 10.915 6.946
192 HD21 ASN 31 1HD2 ASN 31 -8.955 11.289 6.837
193 HD22 ASN 31 2HD2 ASN 31 -10.086 10.710 8.007
194 H TRP 32 H TRP 32 -5.441 7.488 9.324
195 HA TRP 32 HA TRP 32 -5.162 6.085 6.923
196 HB2 TRP 32 1HB TRP 32 -5.987 5.227 9.691
197 HB3 TRP 32 2HB TRP 32 -5.861 4.077 8.363
198 HD1 TRP 32 HD1 TRP 32 -3.838 5.615 11.034
199 HE1 TRP 32 HE1 TRP 32 -1.339 5.108 10.688
200 HE3 TRP 32 HE3 TRP 32 -4.022 3.866 6.233
201 HZ2 TRP 32 HZ2 TRP 32 0.334 4.100 8.649
202 HZ3 TRP 32 HZ3 TRP 32 -1.928 3.151 5.158
203 HH2 TRP 32 HH2 TRP 32 0.204 3.267 6.342
204 H ALA 33 H ALA 33 -8.023 6.920 8.791
205 HA ALA 33 HA ALA 33 -9.951 5.303 7.731
206 HB1 ALA 33 3HB ALA 33 -10.627 6.781 9.413
207 HB2 ALA 33 1HB ALA 33 -10.051 8.194 8.529
208 HB3 ALA 33 2HB ALA 33 -11.488 7.332 7.976
209 H ASP 34 H ASP 34 -8.716 8.315 6.306
210 HA ASP 34 HA ASP 34 -10.380 8.237 4.016
211 HB2 ASP 34 1HB ASP 34 -7.957 9.760 4.842
212 HB3 ASP 34 2HB ASP 34 -8.366 9.740 3.129
213 H ILE 35 H ILE 35 -6.929 7.439 4.424
214 HA ILE 35 HA ILE 35 -6.343 6.578 1.886
215 HB ILE 35 HB ILE 35 -5.359 5.400 4.486
216 HG12 ILE 35 1HG1 ILE 35 -4.143 7.481 2.655
217 HG13 ILE 35 2HG1 ILE 35 -4.932 7.818 4.192
218 HG21 ILE 35 1HG2 ILE 35 -5.015 4.414 1.885
219 HG22 ILE 35 2HG2 ILE 35 -3.500 5.208 2.310
220 HG23 ILE 35 3HG2 ILE 35 -4.147 3.933 3.342
221 HD11 ILE 35 3HD1 ILE 35 -2.406 7.759 4.185
222 HD12 ILE 35 1HD1 ILE 35 -3.216 6.791 5.415
223 HD13 ILE 35 2HD1 ILE 35 -2.548 6.013 3.980
224 H ALA 36 H ALA 36 -7.785 4.682 4.518
225 HA ALA 36 HA ALA 36 -7.859 2.179 3.420
226 HB1 ALA 36 3HB ALA 36 -10.318 3.187 4.774
227 HB2 ALA 36 1HB ALA 36 -9.479 1.647 4.961
228 HB3 ALA 36 2HB ALA 36 -8.802 3.112 5.672
229 H ASP 37 H ASP 37 -10.339 4.702 2.974
230 HA ASP 37 HA ASP 37 -11.961 3.275 1.201
231 HB2 ASP 37 1HB ASP 37 -12.470 5.474 2.401
232 HB3 ASP 37 2HB ASP 37 -11.584 6.265 1.100
233 H TYR 38 H TYR 38 -8.930 4.846 0.720
234 HA TYR 38 HA TYR 38 -9.192 5.015 -2.154
235 HB2 TYR 38 1HB TYR 38 -7.843 6.630 -0.754
236 HB3 TYR 38 2HB TYR 38 -6.677 5.334 -0.512
237 HD1 TYR 38 HD1 TYR 38 -5.493 4.374 -2.520
238 HD2 TYR 38 HD2 TYR 38 -7.829 7.924 -2.727
239 HE1 TYR 38 HE1 TYR 38 -4.375 4.980 -4.625
240 HE2 TYR 38 HE2 TYR 38 -6.719 8.539 -4.834
241 HH TYR 38 HH TYR 38 -4.907 8.089 -6.159
242 H VAL 39 H VAL 39 -7.574 2.952 0.206
243 HA VAL 39 HA VAL 39 -6.273 1.347 -1.795
244 HB VAL 39 HB VAL 39 -6.655 0.837 1.159
245 HG11 VAL 39 1HG1 VAL 39 -4.403 -0.437 -0.192
246 HG12 VAL 39 2HG1 VAL 39 -5.567 -1.107 0.954
247 HG13 VAL 39 3HG1 VAL 39 -5.974 -1.001 -0.759
248 HG21 VAL 39 3HG2 VAL 39 -4.828 2.522 -0.352
249 HG22 VAL 39 1HG2 VAL 39 -5.166 2.486 1.378
250 HG23 VAL 39 2HG2 VAL 39 -3.990 1.368 0.686
251 H GLY 40 H GLY 40 -8.503 0.300 0.781
252 HA2 GLY 40 1HA GLY 40 -10.321 -1.111 0.717
253 HA3 GLY 40 2HA GLY 40 -10.379 -0.863 -1.022
254 H ASN 41 H ASN 41 -10.303 -2.735 -2.056
255 HA ASN 41 HA ASN 41 -9.849 -4.915 -2.554
256 HB2 ASN 41 1HB ASN 41 -7.076 -4.481 -1.491
257 HB3 ASN 41 2HB ASN 41 -7.590 -5.374 -2.919
258 HD21 ASN 41 1HD2 ASN 41 -6.237 -2.558 -1.814
259 HD22 ASN 41 2HD2 ASN 41 -6.444 -1.582 -3.225
260 H ALA 42 H ALA 42 -11.124 -4.771 -0.165
261 HA ALA 42 HA ALA 42 -11.653 -6.114 1.603
262 HB1 ALA 42 3HB ALA 42 -9.544 -7.997 1.711
263 HB2 ALA 42 1HB ALA 42 -11.198 -8.233 1.145
264 HB3 ALA 42 2HB ALA 42 -9.940 -7.735 0.013
265 H ARG 43 H ARG 43 -9.702 -3.849 1.693
266 HA ARG 43 HA ARG 43 -8.387 -4.562 4.232
267 HB2 ARG 43 1HB ARG 43 -7.436 -2.431 2.318
268 HB3 ARG 43 2HB ARG 43 -6.591 -3.067 3.723
269 HG2 ARG 43 1HG ARG 43 -7.249 -4.665 1.259
270 HG3 ARG 43 2HG ARG 43 -5.697 -3.887 1.572
271 HD2 ARG 43 1HD ARG 43 -5.292 -5.271 3.463
272 HD3 ARG 43 2HD ARG 43 -6.944 -5.888 3.443
273 HE ARG 43 HE ARG 43 -5.414 -6.437 1.056
274 HH11 ARG 43 1HH1 ARG 43 -6.354 -7.547 4.219
275 HH12 ARG 43 2HH1 ARG 43 -6.039 -9.214 3.871
276 HH21 ARG 43 1HH2 ARG 43 -4.996 -8.630 0.585
277 HH22 ARG 43 2HH2 ARG 43 -5.265 -9.829 1.804
278 H THR 44 H THR 44 -7.853 -2.453 5.503
279 HA THR 44 HA THR 44 -9.760 -0.314 5.212
280 HB THR 44 HB THR 44 -11.191 -1.943 6.319
281 HG1 THR 44 HG1 THR 44 -11.314 -0.639 8.446
282 HG21 THR 44 3HG2 THR 44 -9.516 -3.345 7.369
283 HG22 THR 44 1HG2 THR 44 -10.636 -2.747 8.593
284 HG23 THR 44 2HG2 THR 44 -9.035 -2.023 8.433
285 H LYS 45 H LYS 45 -9.459 1.378 6.842
286 HA LYS 45 HA LYS 45 -6.887 2.193 7.188
287 HB2 LYS 45 1HB LYS 45 -7.702 3.673 8.985
288 HB3 LYS 45 2HB LYS 45 -8.779 3.663 7.594
289 HG2 LYS 45 1HG LYS 45 -10.430 2.498 8.713
290 HG3 LYS 45 2HG LYS 45 -9.304 1.846 9.906
291 HD2 LYS 45 1HD LYS 45 -9.658 4.794 9.793
292 HD3 LYS 45 2HD LYS 45 -10.969 3.831 10.480
293 HE2 LYS 45 1HE LYS 45 -9.739 4.172 12.367
294 HE3 LYS 45 2HE LYS 45 -8.957 2.704 11.784
295 HZ1 LYS 45 3HZ LYS 45 -7.864 5.308 12.123
296 HZ2 LYS 45 1HZ LYS 45 -7.639 4.763 10.538
297 HZ3 LYS 45 2HZ LYS 45 -7.070 3.842 11.837
298 H GLU 46 H GLU 46 -8.744 0.097 9.327
299 HA GLU 46 HA GLU 46 -6.894 0.037 11.458
300 HB2 GLU 46 1HB GLU 46 -9.024 -1.913 10.581
301 HB3 GLU 46 2HB GLU 46 -8.065 -2.136 12.038
302 HG2 GLU 46 1HG GLU 46 -9.616 0.382 11.573
303 HG3 GLU 46 2HG GLU 46 -10.379 -1.058 12.246
304 H GLU 47 H GLU 47 -7.153 -1.779 8.471
305 HA GLU 47 HA GLU 47 -4.955 -3.534 9.245
306 HB2 GLU 47 1HB GLU 47 -6.822 -3.465 6.884
307 HB3 GLU 47 2HB GLU 47 -5.398 -4.495 6.907
308 HG2 GLU 47 1HG GLU 47 -7.717 -4.586 8.820
309 HG3 GLU 47 2HG GLU 47 -7.329 -5.763 7.566
310 H CYS 48 H CYS 48 -5.716 -1.565 6.366
311 HA CYS 48 HA CYS 48 -3.352 -1.512 5.086
312 HB2 CYS 48 1HB CYS 48 -5.128 0.883 5.596
313 HB3 CYS 48 2HB CYS 48 -3.878 0.808 4.359
314 HG CYS 48 HG CYS 48 -6.843 -0.867 4.458
315 H ARG 49 H ARG 49 -4.131 0.339 7.990
316 HA ARG 49 HA ARG 49 -1.865 1.946 8.129
317 HB2 ARG 49 1HB ARG 49 -3.685 2.356 9.622
318 HB3 ARG 49 2HB ARG 49 -3.570 0.739 10.306
319 HG2 ARG 49 1HG ARG 49 -1.473 1.279 11.355
320 HG3 ARG 49 2HG ARG 49 -1.450 2.859 10.572
321 HD2 ARG 49 1HD ARG 49 -3.097 3.708 11.932
322 HD3 ARG 49 2HD ARG 49 -3.791 2.121 12.259
323 HE ARG 49 HE ARG 49 -1.375 1.983 13.455
324 HH11 ARG 49 1HH1 ARG 49 -3.974 4.295 13.602
325 HH12 ARG 49 2HH1 ARG 49 -3.641 4.761 15.237
326 HH21 ARG 49 1HH2 ARG 49 -0.927 2.588 15.608
327 HH22 ARG 49 2HH2 ARG 49 -1.907 3.790 16.377
328 H ASP 50 H ASP 50 -2.321 -0.893 10.226
329 HA ASP 50 HA ASP 50 0.342 -1.198 10.929
330 HB2 ASP 50 1HB ASP 50 -1.741 -2.345 11.906
331 HB3 ASP 50 2HB ASP 50 -1.527 -3.541 10.630
332 H HIS 51 H HIS 51 -1.372 -2.341 8.098
333 HA HIS 51 HA HIS 51 0.447 -4.234 7.157
334 HB2 HIS 51 1HB HIS 51 -1.611 -4.166 6.037
335 HB3 HIS 51 2HB HIS 51 -1.524 -2.425 5.787
336 HD1 HIS 51 HD1 HIS 51 0.289 -5.553 4.605
337 HD2 HIS 51 HD2 HIS 51 -0.695 -1.731 3.305
338 HE1 HIS 51 HE1 HIS 51 1.066 -5.434 2.216
339 HE2 HIS 51 HE2 HIS 51 0.537 -3.085 1.477
340 H TYR 52 H TYR 52 0.263 -0.753 6.432
341 HA TYR 52 HA TYR 52 2.602 -0.729 4.822
342 HB2 TYR 52 1HB TYR 52 0.865 0.993 4.627
343 HB3 TYR 52 2HB TYR 52 1.219 1.547 6.259
344 HD1 TYR 52 HD2 TYR 52 3.795 2.159 6.636
345 HD2 TYR 52 HD1 TYR 52 1.801 2.167 2.878
346 HE1 TYR 52 HE2 TYR 52 5.487 3.708 5.749
347 HE2 TYR 52 HE1 TYR 52 3.488 3.716 1.980
348 HH TYR 52 HH TYR 52 5.112 5.304 2.726
349 H LEU 53 H LEU 53 2.019 -0.463 8.236
350 HA LEU 53 HA LEU 53 4.602 0.630 8.866
351 HB2 LEU 53 1HB LEU 53 2.364 -0.522 10.500
352 HB3 LEU 53 2HB LEU 53 3.908 -0.081 11.226
353 HG LEU 53 HG LEU 53 2.280 1.904 9.667
354 HD11 LEU 53 1HD1 LEU 53 0.784 1.094 11.358
355 HD12 LEU 53 2HD1 LEU 53 1.393 2.672 11.853
356 HD13 LEU 53 3HD1 LEU 53 2.042 1.207 12.589
357 HD21 LEU 53 3HD2 LEU 53 4.703 1.919 11.329
358 HD22 LEU 53 1HD2 LEU 53 3.565 3.228 11.652
359 HD23 LEU 53 2HD2 LEU 53 4.210 3.000 10.025
360 H LYS 54 H LYS 54 3.366 -2.470 8.180
361 HA LYS 54 HA LYS 54 5.680 -3.773 9.443
362 HB2 LYS 54 1HB LYS 54 4.465 -5.766 9.531
363 HB3 LYS 54 2HB LYS 54 3.260 -4.539 9.901
364 HG2 LYS 54 1HG LYS 54 2.304 -4.688 7.749
365 HG3 LYS 54 2HG LYS 54 3.664 -5.627 7.131
366 HD2 LYS 54 1HD LYS 54 2.115 -6.714 9.430
367 HD3 LYS 54 2HD LYS 54 1.392 -6.782 7.821
368 HE2 LYS 54 1HE LYS 54 2.505 -8.789 7.880
369 HE3 LYS 54 2HE LYS 54 3.729 -7.753 7.147
370 HZ1 LYS 54 3HZ LYS 54 4.982 -7.732 9.051
371 HZ2 LYS 54 1HZ LYS 54 4.341 -9.296 9.125
372 HZ3 LYS 54 2HZ LYS 54 3.672 -8.062 10.069
373 H THR 55 H THR 55 4.664 -2.576 6.525
374 HA THR 55 HA THR 55 6.216 -4.554 4.992
375 HB THR 55 HB THR 55 4.152 -2.575 4.006
376 HG1 THR 55 HG1 THR 55 4.117 -5.417 4.258
377 HG21 THR 55 3HG2 THR 55 6.153 -3.212 2.484
378 HG22 THR 55 1HG2 THR 55 4.518 -3.322 1.834
379 HG23 THR 55 2HG2 THR 55 5.354 -4.780 2.370
380 H TYR 56 H TYR 56 5.692 -1.083 5.463
381 HA TYR 56 HA TYR 56 7.972 -0.416 3.799
382 HB2 TYR 56 1HB TYR 56 6.068 1.286 5.414
383 HB3 TYR 56 2HB TYR 56 7.398 1.939 4.464
384 HD1 TYR 56 HD1 TYR 56 4.519 -0.410 4.010
385 HD2 TYR 56 HD2 TYR 56 6.886 2.716 2.358
386 HE1 TYR 56 HE1 TYR 56 3.072 -0.373 2.022
387 HE2 TYR 56 HE2 TYR 56 5.444 2.762 0.365
388 HH TYR 56 HH TYR 56 3.711 0.615 -0.700
389 H ILE 57 H ILE 57 7.057 0.437 7.142
390 HA ILE 57 HA ILE 57 9.562 1.297 7.972
391 HB ILE 57 HB ILE 57 7.457 -0.049 9.670
392 HG12 ILE 57 1HG1 ILE 57 6.530 1.854 8.471
393 HG13 ILE 57 2HG1 ILE 57 6.731 2.268 10.170
394 HG21 ILE 57 1HG2 ILE 57 8.474 1.200 11.523
395 HG22 ILE 57 2HG2 ILE 57 9.605 0.060 10.796
396 HG23 ILE 57 3HG2 ILE 57 9.731 1.780 10.430
397 HD11 ILE 57 3HD1 ILE 57 7.835 3.520 7.831
398 HD12 ILE 57 1HD1 ILE 57 7.792 4.088 9.500
399 HD13 ILE 57 2HD1 ILE 57 9.108 3.047 8.956
400 H GLU 58 H GLU 58 8.121 -1.942 8.229
401 HA GLU 58 HA GLU 58 9.847 -3.374 9.669
402 HB2 GLU 58 1HB GLU 58 9.419 -5.294 8.287
403 HB3 GLU 58 2HB GLU 58 7.962 -4.312 8.339
404 HG2 GLU 58 1HG GLU 58 8.096 -4.886 6.115
405 HG3 GLU 58 2HG GLU 58 8.850 -3.293 6.140
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -15.373 -12.018 -12.423
2 HA2 GLY 1 1HA GLY 1 -14.144 -9.555 -13.429
3 HA3 GLY 1 2HA GLY 1 -14.343 -9.994 -11.740
4 H SER 2 H SER 2 -11.961 -9.033 -12.367
5 HA SER 2 HA SER 2 -10.216 -11.382 -12.708
6 HB2 SER 2 1HB SER 2 -9.993 -9.503 -14.385
7 HB3 SER 2 2HB SER 2 -9.422 -8.485 -13.062
8 HG SER 2 HG SER 2 -7.565 -9.492 -13.085
9 H SER 3 H SER 3 -11.392 -10.950 -10.234
10 HA SER 3 HA SER 3 -10.164 -9.397 -8.362
11 HB2 SER 3 1HB SER 3 -11.031 -12.281 -8.052
12 HB3 SER 3 2HB SER 3 -10.678 -11.191 -6.712
13 HG SER 3 HG SER 3 -12.957 -11.469 -8.010
14 H GLY 4 H GLY 4 -9.094 -12.669 -9.306
15 HA2 GLY 4 1HA GLY 4 -7.020 -13.652 -9.245
16 HA3 GLY 4 2HA GLY 4 -6.353 -12.026 -9.285
17 H SER 5 H SER 5 -8.362 -13.645 -6.841
18 HA SER 5 HA SER 5 -6.224 -13.104 -4.885
19 HB2 SER 5 1HB SER 5 -9.203 -12.923 -4.710
20 HB3 SER 5 2HB SER 5 -8.298 -13.353 -3.258
21 HG SER 5 HG SER 5 -7.440 -11.163 -4.776
22 H SER 6 H SER 6 -5.166 -15.075 -5.157
23 HA SER 6 HA SER 6 -6.300 -17.261 -3.671
24 HB2 SER 6 1HB SER 6 -5.784 -17.542 -6.637
25 HB3 SER 6 2HB SER 6 -5.941 -18.918 -5.545
26 HG SER 6 HG SER 6 -8.042 -18.383 -5.168
27 H GLY 7 H GLY 7 -4.752 -18.858 -3.101
28 HA2 GLY 7 1HA GLY 7 -2.512 -19.774 -3.325
29 HA3 GLY 7 2HA GLY 7 -1.967 -18.171 -3.796
30 H PHE 8 H PHE 8 -0.444 -17.847 -2.241
31 HA PHE 8 HA PHE 8 -0.956 -18.401 0.529
32 HB2 PHE 8 1HB PHE 8 1.290 -16.718 -0.581
33 HB3 PHE 8 2HB PHE 8 1.256 -17.609 0.937
34 HD1 PHE 8 HD2 PHE 8 0.991 -20.187 0.733
35 HD2 PHE 8 HD1 PHE 8 2.292 -17.656 -2.431
36 HE1 PHE 8 HE2 PHE 8 2.033 -22.119 -0.378
37 HE2 PHE 8 HE1 PHE 8 3.336 -19.584 -3.549
38 HZ PHE 8 HZ PHE 8 3.208 -21.818 -2.522
39 H ASP 9 H ASP 9 -2.426 -17.195 1.552
40 HA ASP 9 HA ASP 9 -2.861 -14.426 0.910
41 HB2 ASP 9 1HB ASP 9 -4.084 -16.418 2.757
42 HB3 ASP 9 2HB ASP 9 -4.303 -14.711 3.135
43 H GLU 10 H GLU 10 -0.239 -14.669 1.595
44 HA GLU 10 HA GLU 10 -0.137 -13.307 4.204
45 HB2 GLU 10 1HB GLU 10 0.847 -15.697 4.074
46 HB3 GLU 10 2HB GLU 10 2.149 -14.953 3.156
47 HG2 GLU 10 1HG GLU 10 2.883 -13.701 4.967
48 HG3 GLU 10 2HG GLU 10 1.356 -13.875 5.830
49 H ASN 11 H ASN 11 -0.472 -12.013 1.728
50 HA ASN 11 HA ASN 11 1.565 -10.077 1.853
51 HB2 ASN 11 1HB ASN 11 2.868 -10.460 -0.052
52 HB3 ASN 11 2HB ASN 11 2.704 -12.068 0.649
53 HD21 ASN 11 1HD2 ASN 11 1.866 -13.646 -0.550
54 HD22 ASN 11 2HD2 ASN 11 1.158 -13.438 -2.112
55 H TRP 12 H TRP 12 1.270 -8.351 0.278
56 HA TRP 12 HA TRP 12 -1.528 -8.163 -0.526
57 HB2 TRP 12 1HB TRP 12 0.671 -6.181 -0.067
58 HB3 TRP 12 2HB TRP 12 -0.712 -5.727 -1.058
59 HD1 TRP 12 HD1 TRP 12 -0.783 -7.799 2.214
60 HE1 TRP 12 HE1 TRP 12 -2.297 -6.574 3.897
61 HE3 TRP 12 HE3 TRP 12 -1.814 -3.607 -0.524
62 HZ2 TRP 12 HZ2 TRP 12 -3.738 -4.151 4.044
63 HZ3 TRP 12 HZ3 TRP 12 -3.269 -1.884 0.460
64 HH2 TRP 12 HH2 TRP 12 -4.210 -2.153 2.697
65 H GLY 13 H GLY 13 -1.630 -6.522 -2.595
66 HA2 GLY 13 1HA GLY 13 -0.054 -7.872 -4.701
67 HA3 GLY 13 2HA GLY 13 -1.747 -7.444 -4.902
68 H ALA 14 H ALA 14 0.318 -6.649 -6.654
69 HA ALA 14 HA ALA 14 1.460 -4.180 -6.275
70 HB1 ALA 14 3HB ALA 14 1.034 -3.918 -8.825
71 HB2 ALA 14 1HB ALA 14 2.077 -5.216 -8.244
72 HB3 ALA 14 2HB ALA 14 0.411 -5.563 -8.707
73 H ASP 15 H ASP 15 -1.886 -4.944 -6.957
74 HA ASP 15 HA ASP 15 -2.733 -2.337 -7.658
75 HB2 ASP 15 1HB ASP 15 -3.953 -4.603 -7.958
76 HB3 ASP 15 2HB ASP 15 -4.516 -4.346 -6.309
77 H GLU 16 H GLU 16 -3.591 -4.086 -4.674
78 HA GLU 16 HA GLU 16 -4.326 -1.799 -3.242
79 HB2 GLU 16 1HB GLU 16 -3.982 -3.297 -1.210
80 HB3 GLU 16 2HB GLU 16 -5.118 -3.864 -2.426
81 HG2 GLU 16 1HG GLU 16 -2.300 -4.755 -2.646
82 HG3 GLU 16 2HG GLU 16 -3.290 -5.444 -1.360
83 H GLU 17 H GLU 17 -1.247 -2.949 -4.090
84 HA GLU 17 HA GLU 17 0.149 -1.741 -1.861
85 HB2 GLU 17 1HB GLU 17 0.970 -3.242 -4.319
86 HB3 GLU 17 2HB GLU 17 2.164 -2.292 -3.446
87 HG2 GLU 17 1HG GLU 17 1.260 -3.602 -1.375
88 HG3 GLU 17 2HG GLU 17 0.705 -4.744 -2.598
89 H LEU 18 H LEU 18 -0.525 -1.019 -5.239
90 HA LEU 18 HA LEU 18 1.162 1.289 -5.344
91 HB2 LEU 18 1HB LEU 18 0.840 0.490 -7.448
92 HB3 LEU 18 2HB LEU 18 -0.815 -0.019 -7.118
93 HG LEU 18 HG LEU 18 -1.334 2.524 -7.134
94 HD11 LEU 18 1HD1 LEU 18 1.036 2.618 -8.958
95 HD12 LEU 18 2HD1 LEU 18 1.201 2.995 -7.243
96 HD13 LEU 18 3HD1 LEU 18 0.113 3.946 -8.254
97 HD21 LEU 18 3HD2 LEU 18 -1.688 0.557 -8.921
98 HD22 LEU 18 1HD2 LEU 18 -0.647 1.624 -9.862
99 HD23 LEU 18 2HD2 LEU 18 -2.172 2.228 -9.214
100 H LEU 19 H LEU 19 -2.329 0.767 -4.982
101 HA LEU 19 HA LEU 19 -3.102 3.458 -4.930
102 HB2 LEU 19 1HB LEU 19 -4.360 1.117 -3.506
103 HB3 LEU 19 2HB LEU 19 -5.132 2.672 -3.812
104 HG LEU 19 HG LEU 19 -4.147 1.080 -6.133
105 HD11 LEU 19 1HD1 LEU 19 -6.642 0.188 -6.051
106 HD12 LEU 19 2HD1 LEU 19 -6.365 0.324 -4.315
107 HD13 LEU 19 3HD1 LEU 19 -5.308 -0.687 -5.300
108 HD21 LEU 19 3HD2 LEU 19 -6.130 3.212 -5.568
109 HD22 LEU 19 1HD2 LEU 19 -6.500 2.074 -6.863
110 HD23 LEU 19 2HD2 LEU 19 -5.017 3.027 -6.924
111 H LEU 20 H LEU 20 -2.349 1.251 -2.241
112 HA LEU 20 HA LEU 20 -2.818 2.841 -0.081
113 HB2 LEU 20 1HB LEU 20 -2.074 0.596 0.212
114 HB3 LEU 20 2HB LEU 20 -0.535 0.943 -0.575
115 HG LEU 20 HG LEU 20 0.028 2.431 1.353
116 HD11 LEU 20 1HD1 LEU 20 -2.694 1.649 2.120
117 HD12 LEU 20 2HD1 LEU 20 -1.749 3.069 2.564
118 HD13 LEU 20 3HD1 LEU 20 -1.497 1.543 3.411
119 HD21 LEU 20 3HD2 LEU 20 1.145 0.652 2.063
120 HD22 LEU 20 1HD2 LEU 20 0.038 -0.396 1.177
121 HD23 LEU 20 2HD2 LEU 20 -0.309 0.036 2.851
122 H ILE 21 H ILE 21 0.231 2.755 -1.923
123 HA ILE 21 HA ILE 21 1.523 4.799 -0.505
124 HB ILE 21 HB ILE 21 1.904 3.979 -3.387
125 HG12 ILE 21 1HG1 ILE 21 3.730 3.219 -1.142
126 HG13 ILE 21 2HG1 ILE 21 2.227 2.328 -1.354
127 HG21 ILE 21 1HG2 ILE 21 2.923 6.209 -2.061
128 HG22 ILE 21 2HG2 ILE 21 4.237 5.033 -2.064
129 HG23 ILE 21 3HG2 ILE 21 3.490 5.524 -3.584
130 HD11 ILE 21 3HD1 ILE 21 2.868 1.663 -3.562
131 HD12 ILE 21 1HD1 ILE 21 4.300 2.690 -3.501
132 HD13 ILE 21 2HD1 ILE 21 4.180 1.281 -2.446
133 H ASP 22 H ASP 22 0.120 5.038 -3.779
134 HA ASP 22 HA ASP 22 0.265 7.666 -4.282
135 HB2 ASP 22 1HB ASP 22 -0.983 5.777 -5.569
136 HB3 ASP 22 2HB ASP 22 -2.399 6.341 -4.686
137 H ALA 23 H ALA 23 -2.033 6.174 -2.058
138 HA ALA 23 HA ALA 23 -3.430 8.596 -1.475
139 HB1 ALA 23 3HB ALA 23 -3.407 6.307 0.431
140 HB2 ALA 23 1HB ALA 23 -4.741 7.346 -0.070
141 HB3 ALA 23 2HB ALA 23 -4.144 6.092 -1.157
142 H CYS 24 H CYS 24 -0.971 6.698 0.261
143 HA CYS 24 HA CYS 24 -0.731 8.115 2.578
144 HB2 CYS 24 1HB CYS 24 1.560 7.031 0.924
145 HB3 CYS 24 2HB CYS 24 1.628 7.421 2.639
146 HG CYS 24 HG CYS 24 -0.282 5.448 3.336
147 H GLU 25 H GLU 25 0.592 8.970 -0.582
148 HA GLU 25 HA GLU 25 1.747 11.419 0.498
149 HB2 GLU 25 1HB GLU 25 1.860 10.090 -2.202
150 HB3 GLU 25 2HB GLU 25 2.461 11.721 -1.944
151 HG2 GLU 25 1HG GLU 25 4.217 9.989 -1.854
152 HG3 GLU 25 2HG GLU 25 4.092 10.944 -0.378
153 H THR 26 H THR 26 -0.886 10.340 -1.548
154 HA THR 26 HA THR 26 -1.630 12.953 -2.444
155 HB THR 26 HB THR 26 -3.091 10.311 -2.485
156 HG1 THR 26 HG1 THR 26 -2.130 10.125 -4.359
157 HG21 THR 26 3HG2 THR 26 -4.808 11.962 -2.378
158 HG22 THR 26 1HG2 THR 26 -4.659 11.484 -4.069
159 HG23 THR 26 2HG2 THR 26 -3.961 13.007 -3.518
160 H LEU 27 H LEU 27 -3.533 10.676 -0.469
161 HA LEU 27 HA LEU 27 -5.084 12.794 0.666
162 HB2 LEU 27 1HB LEU 27 -4.892 9.914 1.531
163 HB3 LEU 27 2HB LEU 27 -6.163 11.056 1.963
164 HG LEU 27 HG LEU 27 -5.625 10.014 -0.818
165 HD11 LEU 27 1HD1 LEU 27 -6.539 8.393 0.932
166 HD12 LEU 27 2HD1 LEU 27 -7.455 8.581 -0.562
167 HD13 LEU 27 3HD1 LEU 27 -7.997 9.386 0.910
168 HD21 LEU 27 3HD2 LEU 27 -7.823 11.762 0.282
169 HD22 LEU 27 1HD2 LEU 27 -7.793 11.064 -1.338
170 HD23 LEU 27 2HD2 LEU 27 -6.568 12.241 -0.862
171 H GLY 28 H GLY 28 -2.539 10.638 1.885
172 HA2 GLY 28 1HA GLY 28 -0.865 11.595 3.376
173 HA3 GLY 28 2HA GLY 28 -2.152 12.542 4.109
174 H LEU 29 H LEU 29 -0.179 10.553 5.205
175 HA LEU 29 HA LEU 29 -1.687 8.267 6.016
176 HB2 LEU 29 1HB LEU 29 0.946 9.449 6.811
177 HB3 LEU 29 2HB LEU 29 0.245 8.123 7.737
178 HG LEU 29 HG LEU 29 0.563 7.806 4.789
179 HD11 LEU 29 1HD1 LEU 29 2.836 7.011 6.518
180 HD12 LEU 29 2HD1 LEU 29 2.711 8.708 6.058
181 HD13 LEU 29 3HD1 LEU 29 2.809 7.463 4.813
182 HD21 LEU 29 3HD2 LEU 29 0.347 5.600 5.232
183 HD22 LEU 29 1HD2 LEU 29 -0.455 6.203 6.682
184 HD23 LEU 29 2HD2 LEU 29 1.235 5.704 6.753
185 H GLY 30 H GLY 30 -1.172 11.471 7.286
186 HA2 GLY 30 1HA GLY 30 -1.664 11.365 9.928
187 HA3 GLY 30 2HA GLY 30 -2.419 12.575 8.900
188 H ASN 31 H ASN 31 -4.021 10.647 7.424
189 HA ASN 31 HA ASN 31 -5.843 9.691 9.523
190 HB2 ASN 31 1HB ASN 31 -6.439 11.965 8.324
191 HB3 ASN 31 2HB ASN 31 -6.984 10.897 7.035
192 HD21 ASN 31 1HD2 ASN 31 -9.129 11.403 7.268
193 HD22 ASN 31 2HD2 ASN 31 -10.068 10.917 8.635
194 H TRP 32 H TRP 32 -5.334 7.553 9.189
195 HA TRP 32 HA TRP 32 -5.018 6.292 6.713
196 HB2 TRP 32 1HB TRP 32 -5.882 5.198 9.394
197 HB3 TRP 32 2HB TRP 32 -5.542 4.180 7.997
198 HD1 TRP 32 HD1 TRP 32 -3.842 6.128 10.752
199 HE1 TRP 32 HE1 TRP 32 -1.302 5.727 10.636
200 HE3 TRP 32 HE3 TRP 32 -3.607 3.712 6.253
201 HZ2 TRP 32 HZ2 TRP 32 0.555 4.543 8.871
202 HZ3 TRP 32 HZ3 TRP 32 -1.410 2.979 5.422
203 HH2 TRP 32 HH2 TRP 32 0.627 3.387 6.705
204 H ALA 33 H ALA 33 -7.896 6.917 8.640
205 HA ALA 33 HA ALA 33 -9.794 5.313 7.565
206 HB1 ALA 33 3HB ALA 33 -9.832 8.102 8.558
207 HB2 ALA 33 1HB ALA 33 -11.250 7.544 7.670
208 HB3 ALA 33 2HB ALA 33 -10.720 6.685 9.117
209 H ASP 34 H ASP 34 -8.480 8.245 6.073
210 HA ASP 34 HA ASP 34 -10.181 8.155 3.792
211 HB2 ASP 34 1HB ASP 34 -7.602 9.603 4.380
212 HB3 ASP 34 2HB ASP 34 -8.432 9.749 2.834
213 H ILE 35 H ILE 35 -6.959 6.931 4.513
214 HA ILE 35 HA ILE 35 -6.294 6.145 1.878
215 HB ILE 35 HB ILE 35 -5.295 5.064 4.515
216 HG12 ILE 35 1HG1 ILE 35 -3.864 6.953 2.658
217 HG13 ILE 35 2HG1 ILE 35 -4.962 7.545 3.899
218 HG21 ILE 35 1HG2 ILE 35 -3.560 3.979 3.370
219 HG22 ILE 35 2HG2 ILE 35 -5.014 3.594 2.450
220 HG23 ILE 35 3HG2 ILE 35 -3.903 4.833 1.865
221 HD11 ILE 35 3HD1 ILE 35 -2.252 6.946 4.162
222 HD12 ILE 35 1HD1 ILE 35 -3.391 7.363 5.442
223 HD13 ILE 35 2HD1 ILE 35 -3.110 5.671 5.028
224 H ALA 36 H ALA 36 -8.014 4.561 4.499
225 HA ALA 36 HA ALA 36 -8.033 1.947 3.476
226 HB1 ALA 36 3HB ALA 36 -10.209 3.221 5.124
227 HB2 ALA 36 1HB ALA 36 -9.813 1.507 5.007
228 HB3 ALA 36 2HB ALA 36 -8.690 2.621 5.788
229 H ASP 37 H ASP 37 -10.388 4.588 3.106
230 HA ASP 37 HA ASP 37 -12.170 3.140 1.454
231 HB2 ASP 37 1HB ASP 37 -12.661 5.275 2.743
232 HB3 ASP 37 2HB ASP 37 -11.820 6.138 1.458
233 H TYR 38 H TYR 38 -9.210 4.819 0.833
234 HA TYR 38 HA TYR 38 -9.647 5.046 -2.012
235 HB2 TYR 38 1HB TYR 38 -8.269 6.686 -0.749
236 HB3 TYR 38 2HB TYR 38 -7.093 5.415 -0.432
237 HD1 TYR 38 HD1 TYR 38 -5.922 4.341 -2.411
238 HD2 TYR 38 HD2 TYR 38 -8.203 7.917 -2.751
239 HE1 TYR 38 HE1 TYR 38 -4.787 4.857 -4.532
240 HE2 TYR 38 HE2 TYR 38 -7.075 8.442 -4.873
241 HH TYR 38 HH TYR 38 -5.813 7.496 -6.570
242 H VAL 39 H VAL 39 -7.824 2.965 0.182
243 HA VAL 39 HA VAL 39 -6.693 1.418 -1.982
244 HB VAL 39 HB VAL 39 -6.656 0.922 0.999
245 HG11 VAL 39 1HG1 VAL 39 -4.681 -0.295 -0.856
246 HG12 VAL 39 2HG1 VAL 39 -5.313 -0.894 0.679
247 HG13 VAL 39 3HG1 VAL 39 -6.295 -1.004 -0.783
248 HG21 VAL 39 3HG2 VAL 39 -4.521 2.045 -0.814
249 HG22 VAL 39 1HG2 VAL 39 -5.508 2.985 0.305
250 HG23 VAL 39 2HG2 VAL 39 -4.384 1.775 0.923
251 H GLY 40 H GLY 40 -8.555 0.350 0.867
252 HA2 GLY 40 1HA GLY 40 -10.301 -1.137 1.054
253 HA3 GLY 40 2HA GLY 40 -10.599 -0.906 -0.662
254 H ASN 41 H ASN 41 -10.646 -2.813 -1.639
255 HA ASN 41 HA ASN 41 -10.132 -4.940 -2.261
256 HB2 ASN 41 1HB ASN 41 -7.302 -4.498 -1.369
257 HB3 ASN 41 2HB ASN 41 -7.900 -5.355 -2.787
258 HD21 ASN 41 1HD2 ASN 41 -6.400 -2.625 -1.765
259 HD22 ASN 41 2HD2 ASN 41 -6.743 -1.586 -3.102
260 H ALA 42 H ALA 42 -11.334 -5.020 0.078
261 HA ALA 42 HA ALA 42 -11.714 -6.371 1.873
262 HB1 ALA 42 3HB ALA 42 -11.034 -8.497 1.669
263 HB2 ALA 42 1HB ALA 42 -10.341 -7.959 0.139
264 HB3 ALA 42 2HB ALA 42 -9.331 -8.048 1.583
265 H ARG 43 H ARG 43 -9.871 -4.022 1.945
266 HA ARG 43 HA ARG 43 -8.419 -4.731 4.410
267 HB2 ARG 43 1HB ARG 43 -7.651 -2.509 2.518
268 HB3 ARG 43 2HB ARG 43 -6.718 -3.142 3.868
269 HG2 ARG 43 1HG ARG 43 -7.406 -4.698 1.384
270 HG3 ARG 43 2HG ARG 43 -5.877 -3.861 1.662
271 HD2 ARG 43 1HD ARG 43 -5.439 -5.258 3.601
272 HD3 ARG 43 2HD ARG 43 -6.997 -6.058 3.398
273 HE ARG 43 HE ARG 43 -5.400 -6.276 1.055
274 HH11 ARG 43 1HH1 ARG 43 -5.832 -7.567 4.259
275 HH12 ARG 43 2HH1 ARG 43 -5.149 -9.111 3.871
276 HH21 ARG 43 1HH2 ARG 43 -4.499 -8.305 0.531
277 HH22 ARG 43 2HH2 ARG 43 -4.390 -9.529 1.750
278 H THR 44 H THR 44 -7.839 -2.453 5.542
279 HA THR 44 HA THR 44 -9.856 -0.448 5.431
280 HB THR 44 HB THR 44 -11.225 -2.146 6.514
281 HG1 THR 44 HG1 THR 44 -10.338 -0.014 8.175
282 HG21 THR 44 3HG2 THR 44 -9.190 -3.329 7.522
283 HG22 THR 44 1HG2 THR 44 -10.650 -3.250 8.508
284 HG23 THR 44 2HG2 THR 44 -9.308 -2.152 8.830
285 H LYS 45 H LYS 45 -9.499 1.268 6.949
286 HA LYS 45 HA LYS 45 -7.000 2.154 7.312
287 HB2 LYS 45 1HB LYS 45 -7.788 3.507 9.206
288 HB3 LYS 45 2HB LYS 45 -8.957 3.487 7.892
289 HG2 LYS 45 1HG LYS 45 -10.229 1.746 9.112
290 HG3 LYS 45 2HG LYS 45 -9.098 1.917 10.457
291 HD2 LYS 45 1HD LYS 45 -9.755 4.188 10.812
292 HD3 LYS 45 2HD LYS 45 -10.710 4.200 9.328
293 HE2 LYS 45 1HE LYS 45 -11.291 2.318 11.598
294 HE3 LYS 45 2HE LYS 45 -11.973 3.942 11.528
295 HZ1 LYS 45 3HZ LYS 45 -12.585 3.066 9.103
296 HZ2 LYS 45 1HZ LYS 45 -13.605 2.863 10.439
297 HZ3 LYS 45 2HZ LYS 45 -12.607 1.593 9.936
298 H GLU 46 H GLU 46 -8.715 0.156 9.709
299 HA GLU 46 HA GLU 46 -6.718 -0.005 11.624
300 HB2 GLU 46 1HB GLU 46 -8.815 -2.018 10.812
301 HB3 GLU 46 2HB GLU 46 -7.774 -2.229 12.213
302 HG2 GLU 46 1HG GLU 46 -8.799 -0.569 13.404
303 HG3 GLU 46 2HG GLU 46 -9.328 0.292 11.959
304 H GLU 47 H GLU 47 -7.187 -1.941 8.705
305 HA GLU 47 HA GLU 47 -4.840 -3.550 9.277
306 HB2 GLU 47 1HB GLU 47 -6.982 -3.576 7.194
307 HB3 GLU 47 2HB GLU 47 -5.454 -4.373 6.843
308 HG2 GLU 47 1HG GLU 47 -6.990 -4.963 9.346
309 HG3 GLU 47 2HG GLU 47 -7.348 -5.776 7.824
310 H CYS 48 H CYS 48 -5.858 -1.643 6.437
311 HA CYS 48 HA CYS 48 -3.598 -1.479 5.011
312 HB2 CYS 48 1HB CYS 48 -5.535 0.741 5.658
313 HB3 CYS 48 2HB CYS 48 -4.242 0.933 4.480
314 HG CYS 48 HG CYS 48 -7.215 -0.366 4.072
315 H ARG 49 H ARG 49 -4.173 0.154 8.061
316 HA ARG 49 HA ARG 49 -1.922 1.857 8.010
317 HB2 ARG 49 1HB ARG 49 -3.675 2.319 9.569
318 HB3 ARG 49 2HB ARG 49 -3.544 0.718 10.284
319 HG2 ARG 49 1HG ARG 49 -1.497 1.244 11.332
320 HG3 ARG 49 2HG ARG 49 -1.308 2.719 10.382
321 HD2 ARG 49 1HD ARG 49 -2.008 3.361 12.566
322 HD3 ARG 49 2HD ARG 49 -3.380 3.590 11.483
323 HE ARG 49 HE ARG 49 -3.775 1.101 12.470
324 HH11 ARG 49 1HH1 ARG 49 -3.179 4.199 13.943
325 HH12 ARG 49 2HH1 ARG 49 -4.078 3.835 15.379
326 HH21 ARG 49 1HH2 ARG 49 -4.961 0.610 14.356
327 HH22 ARG 49 2HH2 ARG 49 -5.090 1.793 15.613
328 H ASP 50 H ASP 50 -2.374 -1.088 9.977
329 HA ASP 50 HA ASP 50 0.297 -1.375 10.717
330 HB2 ASP 50 1HB ASP 50 -1.943 -3.378 10.465
331 HB3 ASP 50 2HB ASP 50 -0.348 -3.825 11.065
332 H HIS 51 H HIS 51 -1.417 -2.500 7.863
333 HA HIS 51 HA HIS 51 0.420 -4.308 6.843
334 HB2 HIS 51 1HB HIS 51 -1.658 -4.165 5.738
335 HB3 HIS 51 2HB HIS 51 -1.509 -2.426 5.502
336 HD1 HIS 51 HD1 HIS 51 0.492 -5.485 4.411
337 HD2 HIS 51 HD2 HIS 51 -0.918 -1.866 2.936
338 HE1 HIS 51 HE1 HIS 51 1.224 -5.408 2.006
339 HE2 HIS 51 HE2 HIS 51 0.433 -3.172 1.159
340 H TYR 52 H TYR 52 0.362 -0.786 6.588
341 HA TYR 52 HA TYR 52 2.681 -0.692 4.888
342 HB2 TYR 52 1HB TYR 52 0.898 1.034 4.805
343 HB3 TYR 52 2HB TYR 52 1.345 1.543 6.429
344 HD1 TYR 52 HD2 TYR 52 3.984 2.047 6.661
345 HD2 TYR 52 HD1 TYR 52 1.730 2.283 3.060
346 HE1 TYR 52 HE2 TYR 52 5.657 3.586 5.721
347 HE2 TYR 52 HE1 TYR 52 3.397 3.821 2.110
348 HH TYR 52 HH TYR 52 5.416 4.748 2.385
349 H LEU 53 H LEU 53 1.987 -0.162 8.310
350 HA LEU 53 HA LEU 53 4.610 0.700 8.995
351 HB2 LEU 53 1HB LEU 53 2.417 -0.465 10.704
352 HB3 LEU 53 2HB LEU 53 3.889 0.282 11.321
353 HG LEU 53 HG LEU 53 2.011 1.827 9.570
354 HD11 LEU 53 1HD1 LEU 53 0.641 0.903 11.362
355 HD12 LEU 53 2HD1 LEU 53 0.876 2.638 11.572
356 HD13 LEU 53 3HD1 LEU 53 1.791 1.498 12.559
357 HD21 LEU 53 3HD2 LEU 53 2.966 3.610 11.238
358 HD22 LEU 53 1HD2 LEU 53 3.921 3.066 9.858
359 HD23 LEU 53 2HD2 LEU 53 4.239 2.408 11.463
360 H LYS 54 H LYS 54 3.444 -2.276 8.059
361 HA LYS 54 HA LYS 54 5.543 -3.713 9.544
362 HB2 LYS 54 1HB LYS 54 4.265 -5.671 9.438
363 HB3 LYS 54 2HB LYS 54 3.078 -4.415 9.762
364 HG2 LYS 54 1HG LYS 54 2.286 -4.447 7.545
365 HG3 LYS 54 2HG LYS 54 3.671 -5.388 6.984
366 HD2 LYS 54 1HD LYS 54 2.900 -7.275 8.395
367 HD3 LYS 54 2HD LYS 54 1.471 -6.332 8.822
368 HE2 LYS 54 1HE LYS 54 0.909 -6.203 6.404
369 HE3 LYS 54 2HE LYS 54 2.267 -7.276 6.070
370 HZ1 LYS 54 3HZ LYS 54 0.189 -8.497 6.188
371 HZ2 LYS 54 1HZ LYS 54 -0.084 -7.937 7.761
372 HZ3 LYS 54 2HZ LYS 54 1.220 -8.967 7.444
373 H THR 55 H THR 55 4.249 -2.959 6.395
374 HA THR 55 HA THR 55 6.055 -4.762 5.020
375 HB THR 55 HB THR 55 4.141 -2.683 3.944
376 HG1 THR 55 HG1 THR 55 3.946 -5.374 4.611
377 HG21 THR 55 3HG2 THR 55 6.040 -3.081 2.421
378 HG22 THR 55 1HG2 THR 55 4.520 -3.681 1.760
379 HG23 THR 55 2HG2 THR 55 5.686 -4.808 2.455
380 H TYR 56 H TYR 56 5.716 -1.291 5.580
381 HA TYR 56 HA TYR 56 8.057 -0.670 3.999
382 HB2 TYR 56 1HB TYR 56 6.281 1.041 5.747
383 HB3 TYR 56 2HB TYR 56 7.646 1.663 4.826
384 HD1 TYR 56 HD1 TYR 56 4.565 -0.390 4.290
385 HD2 TYR 56 HD2 TYR 56 7.211 2.563 2.747
386 HE1 TYR 56 HE1 TYR 56 3.106 -0.116 2.329
387 HE2 TYR 56 HE2 TYR 56 5.759 2.846 0.782
388 HH TYR 56 HH TYR 56 3.437 0.694 -0.112
389 H ILE 57 H ILE 57 7.210 0.067 7.386
390 HA ILE 57 HA ILE 57 9.807 0.611 8.237
391 HB ILE 57 HB ILE 57 7.496 -0.457 9.862
392 HG12 ILE 57 1HG1 ILE 57 7.009 1.662 8.714
393 HG13 ILE 57 2HG1 ILE 57 7.123 1.892 10.455
394 HG21 ILE 57 1HG2 ILE 57 10.139 0.721 10.673
395 HG22 ILE 57 2HG2 ILE 57 8.745 0.681 11.751
396 HG23 ILE 57 3HG2 ILE 57 9.436 -0.825 11.148
397 HD11 ILE 57 3HD1 ILE 57 9.486 2.653 10.091
398 HD12 ILE 57 1HD1 ILE 57 9.139 2.644 8.362
399 HD13 ILE 57 2HD1 ILE 57 8.234 3.709 9.437
400 H GLU 58 H GLU 58 7.936 -2.354 8.924
401 HA GLU 58 HA GLU 58 10.350 -3.770 9.642
402 HB2 GLU 58 1HB GLU 58 7.470 -4.665 9.450
403 HB3 GLU 58 2HB GLU 58 8.787 -5.690 9.999
404 HG2 GLU 58 1HG GLU 58 9.178 -3.694 11.676
405 HG3 GLU 58 2HG GLU 58 7.471 -3.402 11.351
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -8.010 -22.212 16.480
2 HA2 GLY 1 1HA GLY 1 -9.436 -22.754 18.892
3 HA3 GLY 1 2HA GLY 1 -10.035 -23.739 17.565
4 H SER 2 H SER 2 -7.603 -24.152 16.206
5 HA SER 2 HA SER 2 -6.385 -26.090 18.020
6 HB2 SER 2 1HB SER 2 -5.320 -26.963 15.911
7 HB3 SER 2 2HB SER 2 -7.083 -27.011 15.912
8 HG SER 2 HG SER 2 -6.703 -26.068 14.029
9 H SER 3 H SER 3 -3.951 -26.458 17.585
10 HA SER 3 HA SER 3 -2.526 -23.928 17.201
11 HB2 SER 3 1HB SER 3 -1.159 -24.386 19.243
12 HB3 SER 3 2HB SER 3 -2.851 -24.035 19.597
13 HG SER 3 HG SER 3 -1.618 -26.590 19.504
14 H GLY 4 H GLY 4 -0.806 -24.185 15.935
15 HA2 GLY 4 1HA GLY 4 1.276 -25.809 15.951
16 HA3 GLY 4 2HA GLY 4 0.063 -26.903 15.301
17 H SER 5 H SER 5 -1.092 -26.145 13.330
18 HA SER 5 HA SER 5 0.801 -24.732 11.576
19 HB2 SER 5 1HB SER 5 -1.174 -26.940 11.095
20 HB3 SER 5 2HB SER 5 -0.680 -25.900 9.759
21 HG SER 5 HG SER 5 1.556 -26.478 10.728
22 H SER 6 H SER 6 0.266 -22.691 11.212
23 HA SER 6 HA SER 6 -2.587 -21.973 11.091
24 HB2 SER 6 1HB SER 6 -1.979 -19.747 11.744
25 HB3 SER 6 2HB SER 6 -1.146 -20.852 12.836
26 HG SER 6 HG SER 6 0.060 -19.014 11.743
27 H GLY 7 H GLY 7 -2.893 -19.894 9.677
28 HA2 GLY 7 1HA GLY 7 -1.321 -20.156 7.199
29 HA3 GLY 7 2HA GLY 7 -3.076 -20.207 7.138
30 H PHE 8 H PHE 8 -0.289 -18.187 7.849
31 HA PHE 8 HA PHE 8 -1.987 -15.804 7.879
32 HB2 PHE 8 1HB PHE 8 0.213 -14.658 8.476
33 HB3 PHE 8 2HB PHE 8 -0.438 -15.778 9.668
34 HD1 PHE 8 HD2 PHE 8 0.577 -18.015 9.943
35 HD2 PHE 8 HD1 PHE 8 2.294 -15.053 7.414
36 HE1 PHE 8 HE2 PHE 8 2.702 -19.254 9.940
37 HE2 PHE 8 HE1 PHE 8 4.422 -16.288 7.407
38 HZ PHE 8 HZ PHE 8 4.629 -18.390 8.672
39 H ASP 9 H ASP 9 -2.486 -15.192 5.858
40 HA ASP 9 HA ASP 9 -0.327 -15.084 3.862
41 HB2 ASP 9 1HB ASP 9 -3.319 -15.011 3.413
42 HB3 ASP 9 2HB ASP 9 -2.079 -15.063 2.162
43 H GLU 10 H GLU 10 0.523 -13.110 4.670
44 HA GLU 10 HA GLU 10 -1.212 -10.760 4.398
45 HB2 GLU 10 1HB GLU 10 0.408 -9.555 5.696
46 HB3 GLU 10 2HB GLU 10 0.074 -11.075 6.515
47 HG2 GLU 10 1HG GLU 10 2.375 -10.946 4.639
48 HG3 GLU 10 2HG GLU 10 2.524 -10.187 6.223
49 H ASN 11 H ASN 11 -0.351 -12.081 2.049
50 HA ASN 11 HA ASN 11 1.756 -10.357 0.970
51 HB2 ASN 11 1HB ASN 11 0.424 -12.607 -0.519
52 HB3 ASN 11 2HB ASN 11 2.029 -11.924 -0.764
53 HD21 ASN 11 1HD2 ASN 11 3.672 -13.004 0.048
54 HD22 ASN 11 2HD2 ASN 11 3.585 -14.201 1.291
55 H TRP 12 H TRP 12 0.815 -8.422 0.521
56 HA TRP 12 HA TRP 12 -1.777 -8.130 -0.597
57 HB2 TRP 12 1HB TRP 12 0.561 -6.271 -0.240
58 HB3 TRP 12 2HB TRP 12 -0.883 -5.758 -1.108
59 HD1 TRP 12 HD1 TRP 12 -0.803 -7.862 2.138
60 HE1 TRP 12 HE1 TRP 12 -2.099 -6.576 3.952
61 HE3 TRP 12 HE3 TRP 12 -1.783 -3.566 -0.455
62 HZ2 TRP 12 HZ2 TRP 12 -3.368 -4.072 4.246
63 HZ3 TRP 12 HZ3 TRP 12 -3.044 -1.775 0.665
64 HH2 TRP 12 HH2 TRP 12 -3.820 -2.024 2.967
65 H GLY 13 H GLY 13 -1.723 -6.478 -2.680
66 HA2 GLY 13 1HA GLY 13 -0.201 -7.922 -4.761
67 HA3 GLY 13 2HA GLY 13 -1.888 -7.480 -4.977
68 H ALA 14 H ALA 14 0.367 -6.747 -6.635
69 HA ALA 14 HA ALA 14 1.466 -4.281 -6.309
70 HB1 ALA 14 3HB ALA 14 2.185 -4.987 -8.302
71 HB2 ALA 14 1HB ALA 14 0.719 -5.922 -8.598
72 HB3 ALA 14 2HB ALA 14 0.752 -4.195 -8.957
73 H ASP 15 H ASP 15 -1.843 -4.992 -7.324
74 HA ASP 15 HA ASP 15 -2.626 -2.377 -7.966
75 HB2 ASP 15 1HB ASP 15 -4.162 -4.797 -7.039
76 HB3 ASP 15 2HB ASP 15 -4.965 -3.269 -7.389
77 H GLU 16 H GLU 16 -3.681 -4.137 -5.053
78 HA GLU 16 HA GLU 16 -4.462 -1.849 -3.645
79 HB2 GLU 16 1HB GLU 16 -4.339 -3.340 -1.622
80 HB3 GLU 16 2HB GLU 16 -5.306 -3.967 -2.949
81 HG2 GLU 16 1HG GLU 16 -3.477 -5.421 -3.618
82 HG3 GLU 16 2HG GLU 16 -2.475 -4.772 -2.322
83 H GLU 17 H GLU 17 -1.355 -3.079 -4.295
84 HA GLU 17 HA GLU 17 -0.070 -1.914 -1.986
85 HB2 GLU 17 1HB GLU 17 0.856 -3.388 -4.420
86 HB3 GLU 17 2HB GLU 17 2.019 -2.458 -3.485
87 HG2 GLU 17 1HG GLU 17 0.922 -3.801 -1.484
88 HG3 GLU 17 2HG GLU 17 0.566 -4.940 -2.781
89 H LEU 18 H LEU 18 -0.589 -1.095 -5.363
90 HA LEU 18 HA LEU 18 1.168 1.148 -5.393
91 HB2 LEU 18 1HB LEU 18 0.795 0.455 -7.521
92 HB3 LEU 18 2HB LEU 18 -0.870 -0.019 -7.191
93 HG LEU 18 HG LEU 18 -1.325 2.531 -7.112
94 HD11 LEU 18 1HD1 LEU 18 1.415 2.386 -8.278
95 HD12 LEU 18 2HD1 LEU 18 0.720 3.572 -7.173
96 HD13 LEU 18 3HD1 LEU 18 0.280 3.595 -8.881
97 HD21 LEU 18 3HD2 LEU 18 -0.669 1.735 -9.878
98 HD22 LEU 18 1HD2 LEU 18 -2.181 2.330 -9.192
99 HD23 LEU 18 2HD2 LEU 18 -1.721 0.641 -8.978
100 H LEU 19 H LEU 19 -2.314 0.745 -4.909
101 HA LEU 19 HA LEU 19 -3.002 3.461 -4.813
102 HB2 LEU 19 1HB LEU 19 -4.258 1.093 -3.436
103 HB3 LEU 19 2HB LEU 19 -4.988 2.694 -3.538
104 HG LEU 19 HG LEU 19 -4.287 1.090 -5.984
105 HD11 LEU 19 1HD1 LEU 19 -5.800 -0.247 -4.613
106 HD12 LEU 19 2HD1 LEU 19 -6.613 0.362 -6.054
107 HD13 LEU 19 3HD1 LEU 19 -6.907 1.121 -4.490
108 HD21 LEU 19 3HD2 LEU 19 -6.519 2.699 -6.399
109 HD22 LEU 19 1HD2 LEU 19 -4.878 2.991 -6.974
110 HD23 LEU 19 2HD2 LEU 19 -5.415 3.695 -5.449
111 H LEU 20 H LEU 20 -2.131 1.209 -2.206
112 HA LEU 20 HA LEU 20 -2.492 2.761 0.007
113 HB2 LEU 20 1HB LEU 20 -1.697 0.443 0.046
114 HB3 LEU 20 2HB LEU 20 -0.124 0.977 -0.542
115 HG LEU 20 HG LEU 20 0.166 2.273 1.554
116 HD11 LEU 20 1HD1 LEU 20 -1.783 2.758 2.572
117 HD12 LEU 20 2HD1 LEU 20 -1.504 1.215 3.379
118 HD13 LEU 20 3HD1 LEU 20 -2.580 1.298 1.985
119 HD21 LEU 20 3HD2 LEU 20 0.204 0.108 3.036
120 HD22 LEU 20 1HD2 LEU 20 1.305 0.287 1.670
121 HD23 LEU 20 2HD2 LEU 20 -0.155 -0.689 1.504
122 H ILE 21 H ILE 21 0.344 2.786 -2.131
123 HA ILE 21 HA ILE 21 1.755 4.780 -0.699
124 HB ILE 21 HB ILE 21 1.992 3.987 -3.603
125 HG12 ILE 21 1HG1 ILE 21 3.748 3.175 -1.285
126 HG13 ILE 21 2HG1 ILE 21 2.384 2.207 -1.833
127 HG21 ILE 21 1HG2 ILE 21 3.649 5.460 -3.863
128 HG22 ILE 21 2HG2 ILE 21 3.028 6.231 -2.404
129 HG23 ILE 21 3HG2 ILE 21 4.354 5.074 -2.293
130 HD11 ILE 21 3HD1 ILE 21 4.516 3.027 -3.754
131 HD12 ILE 21 1HD1 ILE 21 4.757 1.653 -2.676
132 HD13 ILE 21 2HD1 ILE 21 3.415 1.652 -3.822
133 H ASP 22 H ASP 22 0.091 5.013 -3.849
134 HA ASP 22 HA ASP 22 0.237 7.673 -4.328
135 HB2 ASP 22 1HB ASP 22 -1.045 5.754 -5.582
136 HB3 ASP 22 2HB ASP 22 -2.433 6.362 -4.683
137 H ALA 23 H ALA 23 -2.019 6.095 -2.109
138 HA ALA 23 HA ALA 23 -3.395 8.498 -1.413
139 HB1 ALA 23 3HB ALA 23 -3.794 5.775 -0.996
140 HB2 ALA 23 1HB ALA 23 -3.556 6.451 0.615
141 HB3 ALA 23 2HB ALA 23 -4.817 7.097 -0.436
142 H CYS 24 H CYS 24 -0.797 6.604 0.073
143 HA CYS 24 HA CYS 24 -0.551 7.903 2.492
144 HB2 CYS 24 1HB CYS 24 0.823 6.042 2.268
145 HB3 CYS 24 2HB CYS 24 1.419 6.545 0.691
146 HG CYS 24 HG CYS 24 3.452 6.556 2.717
147 H GLU 25 H GLU 25 0.720 8.860 -0.662
148 HA GLU 25 HA GLU 25 1.892 11.273 0.480
149 HB2 GLU 25 1HB GLU 25 1.985 9.994 -2.241
150 HB3 GLU 25 2HB GLU 25 2.536 11.645 -1.992
151 HG2 GLU 25 1HG GLU 25 3.924 10.494 -0.053
152 HG3 GLU 25 2HG GLU 25 3.732 9.087 -1.097
153 H THR 26 H THR 26 -0.875 10.240 -1.336
154 HA THR 26 HA THR 26 -1.602 12.894 -2.209
155 HB THR 26 HB THR 26 -3.052 10.249 -2.324
156 HG1 THR 26 HG1 THR 26 -1.188 11.197 -3.811
157 HG21 THR 26 3HG2 THR 26 -4.799 11.314 -3.585
158 HG22 THR 26 1HG2 THR 26 -3.966 12.866 -3.518
159 HG23 THR 26 2HG2 THR 26 -4.636 12.161 -2.047
160 H LEU 27 H LEU 27 -3.397 10.521 -0.239
161 HA LEU 27 HA LEU 27 -4.967 12.573 0.990
162 HB2 LEU 27 1HB LEU 27 -4.677 9.667 1.734
163 HB3 LEU 27 2HB LEU 27 -5.934 10.762 2.304
164 HG LEU 27 HG LEU 27 -5.559 9.811 -0.535
165 HD11 LEU 27 1HD1 LEU 27 -8.082 9.162 0.604
166 HD12 LEU 27 2HD1 LEU 27 -6.813 8.601 1.692
167 HD13 LEU 27 3HD1 LEU 27 -6.825 8.078 0.008
168 HD21 LEU 27 3HD2 LEU 27 -7.529 11.706 0.721
169 HD22 LEU 27 1HD2 LEU 27 -7.818 10.901 -0.822
170 HD23 LEU 27 2HD2 LEU 27 -6.450 11.999 -0.643
171 H GLY 28 H GLY 28 -2.300 10.488 2.045
172 HA2 GLY 28 1HA GLY 28 -0.614 11.286 3.539
173 HA3 GLY 28 2HA GLY 28 -1.793 12.396 4.223
174 H LEU 29 H LEU 29 -0.194 9.480 4.635
175 HA LEU 29 HA LEU 29 -1.855 7.715 5.833
176 HB2 LEU 29 1HB LEU 29 0.855 8.592 6.817
177 HB3 LEU 29 2HB LEU 29 0.017 7.144 7.369
178 HG LEU 29 HG LEU 29 0.934 7.651 4.539
179 HD11 LEU 29 1HD1 LEU 29 2.078 5.738 6.561
180 HD12 LEU 29 2HD1 LEU 29 2.757 7.330 6.225
181 HD13 LEU 29 3HD1 LEU 29 2.698 6.110 4.953
182 HD21 LEU 29 3HD2 LEU 29 -0.471 6.015 4.005
183 HD22 LEU 29 1HD2 LEU 29 -0.904 5.763 5.696
184 HD23 LEU 29 2HD2 LEU 29 0.491 4.930 5.009
185 H GLY 30 H GLY 30 -0.894 10.829 7.090
186 HA2 GLY 30 1HA GLY 30 -1.353 10.797 9.733
187 HA3 GLY 30 2HA GLY 30 -1.973 12.089 8.715
188 H ASN 31 H ASN 31 -3.818 10.322 7.286
189 HA ASN 31 HA ASN 31 -5.714 9.658 9.432
190 HB2 ASN 31 1HB ASN 31 -6.233 11.902 8.458
191 HB3 ASN 31 2HB ASN 31 -6.457 11.125 6.893
192 HD21 ASN 31 1HD2 ASN 31 -8.079 12.363 9.380
193 HD22 ASN 31 2HD2 ASN 31 -9.514 11.402 9.337
194 H TRP 32 H TRP 32 -5.243 7.459 9.100
195 HA TRP 32 HA TRP 32 -5.233 6.124 6.654
196 HB2 TRP 32 1HB TRP 32 -6.008 5.123 9.400
197 HB3 TRP 32 2HB TRP 32 -5.752 4.081 8.004
198 HD1 TRP 32 HD1 TRP 32 -3.921 5.779 10.783
199 HE1 TRP 32 HE1 TRP 32 -1.391 5.367 10.547
200 HE3 TRP 32 HE3 TRP 32 -3.853 3.821 6.060
201 HZ2 TRP 32 HZ2 TRP 32 0.397 4.349 8.615
202 HZ3 TRP 32 HZ3 TRP 32 -1.692 3.154 5.091
203 HH2 TRP 32 HH2 TRP 32 0.388 3.414 6.343
204 H ALA 33 H ALA 33 -7.917 6.612 8.937
205 HA ALA 33 HA ALA 33 -9.952 5.222 7.889
206 HB1 ALA 33 3HB ALA 33 -11.150 7.697 8.257
207 HB2 ALA 33 1HB ALA 33 -10.936 6.436 9.472
208 HB3 ALA 33 2HB ALA 33 -9.744 7.727 9.320
209 H ASP 34 H ASP 34 -8.504 8.070 6.432
210 HA ASP 34 HA ASP 34 -10.468 8.239 4.330
211 HB2 ASP 34 1HB ASP 34 -7.807 9.622 4.718
212 HB3 ASP 34 2HB ASP 34 -8.915 9.961 3.390
213 H ILE 35 H ILE 35 -7.126 7.116 4.645
214 HA ILE 35 HA ILE 35 -6.703 6.493 1.935
215 HB ILE 35 HB ILE 35 -5.455 5.361 4.436
216 HG12 ILE 35 1HG1 ILE 35 -4.387 7.280 2.354
217 HG13 ILE 35 2HG1 ILE 35 -5.041 7.757 3.917
218 HG21 ILE 35 1HG2 ILE 35 -4.559 3.732 3.226
219 HG22 ILE 35 2HG2 ILE 35 -5.356 4.332 1.773
220 HG23 ILE 35 3HG2 ILE 35 -3.765 4.946 2.223
221 HD11 ILE 35 3HD1 ILE 35 -3.264 6.464 5.021
222 HD12 ILE 35 1HD1 ILE 35 -2.589 6.082 3.437
223 HD13 ILE 35 2HD1 ILE 35 -2.638 7.755 3.995
224 H ALA 36 H ALA 36 -8.046 4.615 4.604
225 HA ALA 36 HA ALA 36 -8.120 2.087 3.547
226 HB1 ALA 36 3HB ALA 36 -10.279 1.822 4.852
227 HB2 ALA 36 1HB ALA 36 -8.873 2.379 5.759
228 HB3 ALA 36 2HB ALA 36 -10.118 3.528 5.269
229 H ASP 37 H ASP 37 -10.592 4.616 3.102
230 HA ASP 37 HA ASP 37 -12.210 3.121 1.343
231 HB2 ASP 37 1HB ASP 37 -12.799 5.261 2.634
232 HB3 ASP 37 2HB ASP 37 -12.012 6.128 1.317
233 H TYR 38 H TYR 38 -9.236 4.757 0.887
234 HA TYR 38 HA TYR 38 -9.557 5.087 -1.972
235 HB2 TYR 38 1HB TYR 38 -8.207 6.634 -0.458
236 HB3 TYR 38 2HB TYR 38 -6.994 5.360 -0.404
237 HD1 TYR 38 HD1 TYR 38 -5.782 4.718 -2.466
238 HD2 TYR 38 HD2 TYR 38 -8.466 8.019 -2.388
239 HE1 TYR 38 HE1 TYR 38 -4.805 5.554 -4.563
240 HE2 TYR 38 HE2 TYR 38 -7.497 8.863 -4.486
241 HH TYR 38 HH TYR 38 -6.139 7.530 -6.554
242 H VAL 39 H VAL 39 -7.866 2.940 0.257
243 HA VAL 39 HA VAL 39 -6.575 1.463 -1.855
244 HB VAL 39 HB VAL 39 -6.836 0.846 1.091
245 HG11 VAL 39 1HG1 VAL 39 -5.088 -0.799 0.749
246 HG12 VAL 39 2HG1 VAL 39 -6.478 -1.170 -0.274
247 HG13 VAL 39 3HG1 VAL 39 -5.041 -0.424 -0.973
248 HG21 VAL 39 3HG2 VAL 39 -5.553 2.920 0.373
249 HG22 VAL 39 1HG2 VAL 39 -4.680 1.753 1.367
250 HG23 VAL 39 2HG2 VAL 39 -4.396 1.818 -0.373
251 H GLY 40 H GLY 40 -8.685 0.250 0.749
252 HA2 GLY 40 1HA GLY 40 -10.513 -1.158 0.661
253 HA3 GLY 40 2HA GLY 40 -10.555 -0.921 -1.080
254 H ASN 41 H ASN 41 -10.397 -2.780 -2.124
255 HA ASN 41 HA ASN 41 -9.917 -4.967 -2.582
256 HB2 ASN 41 1HB ASN 41 -7.145 -4.493 -1.551
257 HB3 ASN 41 2HB ASN 41 -7.664 -5.347 -3.001
258 HD21 ASN 41 1HD2 ASN 41 -6.434 -2.491 -1.764
259 HD22 ASN 41 2HD2 ASN 41 -6.627 -1.498 -3.165
260 H ALA 42 H ALA 42 -11.171 -4.826 -0.179
261 HA ALA 42 HA ALA 42 -11.645 -6.150 1.617
262 HB1 ALA 42 3HB ALA 42 -9.489 -7.993 1.691
263 HB2 ALA 42 1HB ALA 42 -11.158 -8.271 1.194
264 HB3 ALA 42 2HB ALA 42 -9.956 -7.765 0.006
265 H ARG 43 H ARG 43 -9.727 -3.855 1.649
266 HA ARG 43 HA ARG 43 -8.357 -4.522 4.172
267 HB2 ARG 43 1HB ARG 43 -7.475 -2.391 2.227
268 HB3 ARG 43 2HB ARG 43 -6.593 -3.009 3.617
269 HG2 ARG 43 1HG ARG 43 -7.277 -4.624 1.171
270 HG3 ARG 43 2HG ARG 43 -5.729 -3.826 1.454
271 HD2 ARG 43 1HD ARG 43 -5.270 -5.201 3.336
272 HD3 ARG 43 2HD ARG 43 -6.916 -5.834 3.355
273 HE ARG 43 HE ARG 43 -5.809 -6.483 0.890
274 HH11 ARG 43 1HH1 ARG 43 -5.272 -7.201 4.253
275 HH12 ARG 43 2HH1 ARG 43 -4.616 -8.775 3.947
276 HH21 ARG 43 1HH2 ARG 43 -4.947 -8.553 0.473
277 HH22 ARG 43 2HH2 ARG 43 -4.431 -9.543 1.796
278 H THR 44 H THR 44 -7.882 -2.457 5.473
279 HA THR 44 HA THR 44 -9.863 -0.360 5.185
280 HB THR 44 HB THR 44 -10.805 -0.630 7.425
281 HG1 THR 44 HG1 THR 44 -9.022 -1.773 8.357
282 HG21 THR 44 3HG2 THR 44 -11.025 -3.097 5.697
283 HG22 THR 44 1HG2 THR 44 -12.030 -1.651 5.610
284 HG23 THR 44 2HG2 THR 44 -12.117 -2.702 7.024
285 H LYS 45 H LYS 45 -9.695 0.968 7.471
286 HA LYS 45 HA LYS 45 -7.122 2.125 7.410
287 HB2 LYS 45 1HB LYS 45 -7.903 3.447 9.350
288 HB3 LYS 45 2HB LYS 45 -9.064 3.436 8.029
289 HG2 LYS 45 1HG LYS 45 -10.380 1.741 9.197
290 HG3 LYS 45 2HG LYS 45 -9.214 1.752 10.522
291 HD2 LYS 45 1HD LYS 45 -9.778 3.967 11.126
292 HD3 LYS 45 2HD LYS 45 -10.665 4.230 9.622
293 HE2 LYS 45 1HE LYS 45 -12.403 2.746 10.303
294 HE3 LYS 45 2HE LYS 45 -11.469 2.196 11.694
295 HZ1 LYS 45 3HZ LYS 45 -13.226 3.807 12.265
296 HZ2 LYS 45 1HZ LYS 45 -12.443 4.977 11.326
297 HZ3 LYS 45 2HZ LYS 45 -11.682 4.345 12.697
298 H GLU 46 H GLU 46 -8.638 -0.218 9.556
299 HA GLU 46 HA GLU 46 -6.595 -0.223 11.522
300 HB2 GLU 46 1HB GLU 46 -8.724 -2.231 10.793
301 HB3 GLU 46 2HB GLU 46 -7.602 -2.478 12.124
302 HG2 GLU 46 1HG GLU 46 -8.517 -0.781 13.389
303 HG3 GLU 46 2HG GLU 46 -9.220 0.025 11.987
304 H GLU 47 H GLU 47 -7.043 -1.910 8.493
305 HA GLU 47 HA GLU 47 -4.733 -3.620 8.989
306 HB2 GLU 47 1HB GLU 47 -6.783 -3.490 6.788
307 HB3 GLU 47 2HB GLU 47 -5.330 -4.468 6.641
308 HG2 GLU 47 1HG GLU 47 -6.076 -5.476 8.905
309 HG3 GLU 47 2HG GLU 47 -7.651 -4.803 8.488
310 H CYS 48 H CYS 48 -5.774 -1.590 6.245
311 HA CYS 48 HA CYS 48 -3.464 -1.372 4.860
312 HB2 CYS 48 1HB CYS 48 -5.498 0.784 5.437
313 HB3 CYS 48 2HB CYS 48 -4.200 0.980 4.265
314 HG CYS 48 HG CYS 48 -7.129 -0.458 3.894
315 H ARG 49 H ARG 49 -4.239 0.276 7.864
316 HA ARG 49 HA ARG 49 -2.106 2.096 7.910
317 HB2 ARG 49 1HB ARG 49 -3.854 2.429 9.470
318 HB3 ARG 49 2HB ARG 49 -3.716 0.791 10.093
319 HG2 ARG 49 1HG ARG 49 -1.515 1.362 11.037
320 HG3 ARG 49 2HG ARG 49 -1.726 3.019 10.465
321 HD2 ARG 49 1HD ARG 49 -3.457 1.565 12.462
322 HD3 ARG 49 2HD ARG 49 -2.317 2.865 12.809
323 HE ARG 49 HE ARG 49 -4.384 3.552 10.918
324 HH11 ARG 49 1HH1 ARG 49 -3.446 3.448 14.269
325 HH12 ARG 49 2HH1 ARG 49 -4.564 4.679 14.755
326 HH21 ARG 49 1HH2 ARG 49 -5.860 5.175 11.545
327 HH22 ARG 49 2HH2 ARG 49 -5.937 5.660 13.205
328 H ASP 50 H ASP 50 -2.304 -0.768 10.012
329 HA ASP 50 HA ASP 50 0.396 -0.891 10.630
330 HB2 ASP 50 1HB ASP 50 -1.795 -2.943 10.615
331 HB3 ASP 50 2HB ASP 50 -0.143 -3.415 11.004
332 H HIS 51 H HIS 51 -1.368 -2.558 8.040
333 HA HIS 51 HA HIS 51 0.497 -4.211 6.987
334 HB2 HIS 51 1HB HIS 51 -1.591 -4.151 5.901
335 HB3 HIS 51 2HB HIS 51 -1.489 -2.417 5.611
336 HD1 HIS 51 HD1 HIS 51 0.204 -5.616 4.462
337 HD2 HIS 51 HD2 HIS 51 -0.584 -1.758 3.137
338 HE1 HIS 51 HE1 HIS 51 0.990 -5.552 2.074
339 HE2 HIS 51 HE2 HIS 51 0.581 -3.183 1.320
340 H TYR 52 H TYR 52 0.430 -0.704 6.687
341 HA TYR 52 HA TYR 52 2.685 -0.627 4.897
342 HB2 TYR 52 1HB TYR 52 0.894 1.095 4.860
343 HB3 TYR 52 2HB TYR 52 1.405 1.627 6.458
344 HD1 TYR 52 HD2 TYR 52 3.864 2.406 6.686
345 HD2 TYR 52 HD1 TYR 52 1.844 2.046 2.959
346 HE1 TYR 52 HE2 TYR 52 5.498 3.931 5.660
347 HE2 TYR 52 HE1 TYR 52 3.473 3.570 1.922
348 HH TYR 52 HH TYR 52 6.345 4.251 3.077
349 H LEU 53 H LEU 53 2.104 0.035 8.327
350 HA LEU 53 HA LEU 53 4.798 0.808 8.872
351 HB2 LEU 53 1HB LEU 53 2.604 -0.088 10.734
352 HB3 LEU 53 2HB LEU 53 4.129 0.640 11.234
353 HG LEU 53 HG LEU 53 2.250 2.111 9.419
354 HD11 LEU 53 1HD1 LEU 53 2.059 1.767 12.391
355 HD12 LEU 53 2HD1 LEU 53 0.787 1.645 11.176
356 HD13 LEU 53 3HD1 LEU 53 1.464 3.220 11.588
357 HD21 LEU 53 3HD2 LEU 53 3.491 3.954 9.932
358 HD22 LEU 53 1HD2 LEU 53 4.735 2.714 10.092
359 HD23 LEU 53 2HD2 LEU 53 3.936 3.351 11.529
360 H LYS 54 H LYS 54 3.413 -2.145 8.199
361 HA LYS 54 HA LYS 54 5.439 -3.609 9.756
362 HB2 LYS 54 1HB LYS 54 4.033 -5.464 9.821
363 HB3 LYS 54 2HB LYS 54 2.909 -4.121 9.986
364 HG2 LYS 54 1HG LYS 54 2.404 -4.272 7.585
365 HG3 LYS 54 2HG LYS 54 3.490 -5.659 7.463
366 HD2 LYS 54 1HD LYS 54 1.150 -5.588 9.354
367 HD3 LYS 54 2HD LYS 54 1.017 -6.176 7.695
368 HE2 LYS 54 1HE LYS 54 3.128 -7.256 9.519
369 HE3 LYS 54 2HE LYS 54 1.474 -7.857 9.622
370 HZ1 LYS 54 3HZ LYS 54 3.231 -8.962 8.043
371 HZ2 LYS 54 1HZ LYS 54 2.736 -7.739 6.984
372 HZ3 LYS 54 2HZ LYS 54 1.605 -8.841 7.590
373 H THR 55 H THR 55 4.309 -2.837 6.584
374 HA THR 55 HA THR 55 5.978 -4.874 5.329
375 HB THR 55 HB THR 55 4.153 -2.807 4.085
376 HG1 THR 55 HG1 THR 55 2.650 -4.298 4.248
377 HG21 THR 55 3HG2 THR 55 5.032 -5.186 2.567
378 HG22 THR 55 1HG2 THR 55 6.251 -3.941 2.833
379 HG23 THR 55 2HG2 THR 55 4.740 -3.536 2.019
380 H TYR 56 H TYR 56 5.721 -1.351 5.563
381 HA TYR 56 HA TYR 56 8.056 -0.907 3.940
382 HB2 TYR 56 1HB TYR 56 6.354 0.928 5.629
383 HB3 TYR 56 2HB TYR 56 7.757 1.483 4.723
384 HD1 TYR 56 HD1 TYR 56 4.717 -0.609 4.084
385 HD2 TYR 56 HD2 TYR 56 7.300 2.476 2.701
386 HE1 TYR 56 HE1 TYR 56 3.310 -0.335 2.085
387 HE2 TYR 56 HE2 TYR 56 5.898 2.760 0.699
388 HH TYR 56 HH TYR 56 3.023 0.740 0.168
389 H ILE 57 H ILE 57 7.302 -0.207 7.358
390 HA ILE 57 HA ILE 57 10.033 0.248 8.040
391 HB ILE 57 HB ILE 57 7.717 -0.328 9.892
392 HG12 ILE 57 1HG1 ILE 57 7.415 1.623 8.304
393 HG13 ILE 57 2HG1 ILE 57 7.339 2.022 10.017
394 HG21 ILE 57 1HG2 ILE 57 9.399 1.325 11.233
395 HG22 ILE 57 2HG2 ILE 57 9.393 -0.432 11.382
396 HG23 ILE 57 3HG2 ILE 57 10.541 0.357 10.300
397 HD11 ILE 57 3HD1 ILE 57 10.008 2.240 8.837
398 HD12 ILE 57 1HD1 ILE 57 8.811 3.354 8.176
399 HD13 ILE 57 2HD1 ILE 57 9.141 3.339 9.909
400 H GLU 58 H GLU 58 7.783 -2.297 9.145
401 HA GLU 58 HA GLU 58 9.987 -3.960 9.985
402 HB2 GLU 58 1HB GLU 58 7.592 -3.725 11.030
403 HB3 GLU 58 2HB GLU 58 7.160 -4.932 9.826
404 HG2 GLU 58 1HG GLU 58 7.739 -5.825 12.089
405 HG3 GLU 58 2HG GLU 58 8.643 -6.522 10.747
Start of MODEL 12
1 H1 GLY 1 H GLY 1 7.295 -20.191 -7.938
2 HA2 GLY 1 1HA GLY 1 6.959 -20.050 -5.605
3 HA3 GLY 1 2HA GLY 1 5.583 -21.003 -6.142
4 H SER 2 H SER 2 9.028 -21.809 -5.753
5 HA SER 2 HA SER 2 8.858 -24.384 -4.988
6 HB2 SER 2 1HB SER 2 10.675 -22.270 -3.813
7 HB3 SER 2 2HB SER 2 10.898 -24.002 -3.571
8 HG SER 2 HG SER 2 10.746 -22.806 -6.134
9 H SER 3 H SER 3 8.821 -21.706 -2.628
10 HA SER 3 HA SER 3 8.272 -23.204 -0.363
11 HB2 SER 3 1HB SER 3 7.377 -20.382 -1.001
12 HB3 SER 3 2HB SER 3 7.379 -21.104 0.608
13 HG SER 3 HG SER 3 9.464 -20.106 -0.880
14 H GLY 4 H GLY 4 6.446 -23.954 0.634
15 HA2 GLY 4 1HA GLY 4 4.313 -24.868 -0.842
16 HA3 GLY 4 2HA GLY 4 4.255 -24.602 0.894
17 H SER 5 H SER 5 2.019 -24.299 -0.731
18 HA SER 5 HA SER 5 1.461 -21.803 -1.746
19 HB2 SER 5 1HB SER 5 -0.385 -23.647 -0.211
20 HB3 SER 5 2HB SER 5 -0.919 -22.278 -1.185
21 HG SER 5 HG SER 5 -0.802 -23.540 -2.845
22 H SER 6 H SER 6 -0.166 -20.225 -0.704
23 HA SER 6 HA SER 6 1.128 -18.980 1.482
24 HB2 SER 6 1HB SER 6 -1.533 -18.480 0.144
25 HB3 SER 6 2HB SER 6 -0.925 -17.478 1.461
26 HG SER 6 HG SER 6 -0.124 -17.617 -1.179
27 H GLY 7 H GLY 7 -0.187 -18.245 3.457
28 HA2 GLY 7 1HA GLY 7 -1.843 -20.467 4.466
29 HA3 GLY 7 2HA GLY 7 -0.498 -19.856 5.418
30 H PHE 8 H PHE 8 -0.714 -17.164 5.165
31 HA PHE 8 HA PHE 8 -3.434 -16.546 6.100
32 HB2 PHE 8 1HB PHE 8 -0.869 -15.521 7.334
33 HB3 PHE 8 2HB PHE 8 -2.502 -15.107 7.845
34 HD1 PHE 8 HD1 PHE 8 0.017 -17.781 7.716
35 HD2 PHE 8 HD2 PHE 8 -3.781 -16.576 9.213
36 HE1 PHE 8 HE1 PHE 8 0.023 -19.696 9.261
37 HE2 PHE 8 HE2 PHE 8 -3.781 -18.489 10.761
38 HZ PHE 8 HZ PHE 8 -1.877 -20.051 10.787
39 H ASP 9 H ASP 9 -2.573 -16.129 3.497
40 HA ASP 9 HA ASP 9 -2.087 -14.524 1.908
41 HB2 ASP 9 1HB ASP 9 -4.021 -12.870 3.522
42 HB3 ASP 9 2HB ASP 9 -3.823 -12.921 1.773
43 H GLU 10 H GLU 10 -0.016 -14.424 3.612
44 HA GLU 10 HA GLU 10 0.338 -11.748 4.649
45 HB2 GLU 10 1HB GLU 10 1.285 -13.957 5.620
46 HB3 GLU 10 2HB GLU 10 2.525 -13.790 4.386
47 HG2 GLU 10 1HG GLU 10 3.470 -11.962 5.378
48 HG3 GLU 10 2HG GLU 10 1.966 -11.470 6.155
49 H ASN 11 H ASN 11 -0.196 -11.586 1.973
50 HA ASN 11 HA ASN 11 2.111 -10.193 1.015
51 HB2 ASN 11 1HB ASN 11 2.526 -11.485 -0.985
52 HB3 ASN 11 2HB ASN 11 2.672 -12.549 0.411
53 HD21 ASN 11 1HD2 ASN 11 1.658 -12.527 -2.611
54 HD22 ASN 11 2HD2 ASN 11 0.331 -13.630 -2.527
55 H TRP 12 H TRP 12 1.066 -8.383 0.481
56 HA TRP 12 HA TRP 12 -1.597 -8.286 -0.468
57 HB2 TRP 12 1HB TRP 12 0.633 -6.293 -0.252
58 HB3 TRP 12 2HB TRP 12 -0.836 -5.873 -1.129
59 HD1 TRP 12 HD1 TRP 12 -0.672 -7.875 2.175
60 HE1 TRP 12 HE1 TRP 12 -2.009 -6.585 3.956
61 HE3 TRP 12 HE3 TRP 12 -1.801 -3.688 -0.533
62 HZ2 TRP 12 HZ2 TRP 12 -3.364 -4.119 4.183
63 HZ3 TRP 12 HZ3 TRP 12 -3.122 -1.911 0.540
64 HH2 TRP 12 HH2 TRP 12 -3.887 -2.124 2.849
65 H GLY 13 H GLY 13 -1.914 -6.794 -2.580
66 HA2 GLY 13 1HA GLY 13 -0.665 -8.352 -4.743
67 HA3 GLY 13 2HA GLY 13 -2.209 -7.518 -4.850
68 H ALA 14 H ALA 14 -1.347 -6.632 -6.848
69 HA ALA 14 HA ALA 14 0.819 -4.709 -6.611
70 HB1 ALA 14 3HB ALA 14 -0.599 -4.673 -9.137
71 HB2 ALA 14 1HB ALA 14 1.096 -5.023 -8.797
72 HB3 ALA 14 2HB ALA 14 -0.111 -6.304 -8.676
73 H ASP 15 H ASP 15 -2.671 -4.743 -7.135
74 HA ASP 15 HA ASP 15 -2.939 -1.956 -7.597
75 HB2 ASP 15 1HB ASP 15 -4.911 -4.070 -6.726
76 HB3 ASP 15 2HB ASP 15 -5.370 -2.395 -7.023
77 H GLU 16 H GLU 16 -3.884 -3.882 -4.742
78 HA GLU 16 HA GLU 16 -4.405 -1.740 -3.049
79 HB2 GLU 16 1HB GLU 16 -4.005 -3.372 -1.192
80 HB3 GLU 16 2HB GLU 16 -5.117 -3.939 -2.429
81 HG2 GLU 16 1HG GLU 16 -2.249 -4.645 -2.703
82 HG3 GLU 16 2HG GLU 16 -3.199 -5.469 -1.468
83 H GLU 17 H GLU 17 -1.402 -2.983 -4.158
84 HA GLU 17 HA GLU 17 0.167 -1.865 -2.007
85 HB2 GLU 17 1HB GLU 17 0.726 -3.406 -4.490
86 HB3 GLU 17 2HB GLU 17 2.023 -2.407 -3.848
87 HG2 GLU 17 1HG GLU 17 0.552 -4.341 -2.102
88 HG3 GLU 17 2HG GLU 17 1.887 -4.863 -3.127
89 H LEU 18 H LEU 18 -0.639 -1.045 -5.341
90 HA LEU 18 HA LEU 18 1.096 1.213 -5.487
91 HB2 LEU 18 1HB LEU 18 0.555 0.367 -7.563
92 HB3 LEU 18 2HB LEU 18 -1.139 0.131 -7.139
93 HG LEU 18 HG LEU 18 -1.074 2.797 -7.078
94 HD11 LEU 18 1HD1 LEU 18 0.620 3.778 -8.133
95 HD12 LEU 18 2HD1 LEU 18 0.550 2.632 -9.472
96 HD13 LEU 18 3HD1 LEU 18 1.465 2.234 -8.018
97 HD21 LEU 18 3HD2 LEU 18 -2.385 2.668 -8.913
98 HD22 LEU 18 1HD2 LEU 18 -2.251 0.935 -8.615
99 HD23 LEU 18 2HD2 LEU 18 -1.215 1.706 -9.817
100 H LEU 19 H LEU 19 -2.396 0.833 -4.950
101 HA LEU 19 HA LEU 19 -3.057 3.535 -4.757
102 HB2 LEU 19 1HB LEU 19 -4.280 1.179 -3.328
103 HB3 LEU 19 2HB LEU 19 -5.012 2.777 -3.459
104 HG LEU 19 HG LEU 19 -4.347 1.136 -5.887
105 HD11 LEU 19 1HD1 LEU 19 -6.578 0.826 -3.968
106 HD12 LEU 19 2HD1 LEU 19 -5.812 -0.361 -5.023
107 HD13 LEU 19 3HD1 LEU 19 -6.980 0.782 -5.685
108 HD21 LEU 19 3HD2 LEU 19 -6.610 3.049 -5.677
109 HD22 LEU 19 1HD2 LEU 19 -5.583 2.654 -7.055
110 HD23 LEU 19 2HD2 LEU 19 -4.974 3.703 -5.775
111 H LEU 20 H LEU 20 -2.254 1.244 -2.148
112 HA LEU 20 HA LEU 20 -2.485 2.792 0.062
113 HB2 LEU 20 1HB LEU 20 -1.750 0.471 0.112
114 HB3 LEU 20 2HB LEU 20 -0.195 0.937 -0.574
115 HG LEU 20 HG LEU 20 0.287 2.228 1.477
116 HD11 LEU 20 1HD1 LEU 20 -2.339 1.067 2.386
117 HD12 LEU 20 2HD1 LEU 20 -1.914 2.771 2.230
118 HD13 LEU 20 3HD1 LEU 20 -1.143 1.780 3.468
119 HD21 LEU 20 3HD2 LEU 20 1.338 0.247 1.727
120 HD22 LEU 20 1HD2 LEU 20 -0.117 -0.692 1.388
121 HD23 LEU 20 2HD2 LEU 20 0.127 0.008 2.988
122 H ILE 21 H ILE 21 0.348 2.734 -2.089
123 HA ILE 21 HA ILE 21 1.816 4.699 -0.694
124 HB ILE 21 HB ILE 21 1.974 3.935 -3.612
125 HG12 ILE 21 1HG1 ILE 21 3.734 3.029 -1.331
126 HG13 ILE 21 2HG1 ILE 21 2.341 2.110 -1.891
127 HG21 ILE 21 1HG2 ILE 21 3.554 5.472 -3.872
128 HG22 ILE 21 2HG2 ILE 21 3.174 6.078 -2.261
129 HG23 ILE 21 3HG2 ILE 21 4.435 4.863 -2.470
130 HD11 ILE 21 3HD1 ILE 21 4.464 2.917 -3.823
131 HD12 ILE 21 1HD1 ILE 21 4.709 1.531 -2.760
132 HD13 ILE 21 2HD1 ILE 21 3.348 1.553 -3.883
133 H ASP 22 H ASP 22 0.121 5.004 -3.822
134 HA ASP 22 HA ASP 22 0.311 7.666 -4.267
135 HB2 ASP 22 1HB ASP 22 -1.000 5.811 -5.556
136 HB3 ASP 22 2HB ASP 22 -2.375 6.375 -4.612
137 H ALA 23 H ALA 23 -2.033 6.109 -2.110
138 HA ALA 23 HA ALA 23 -3.345 8.513 -1.357
139 HB1 ALA 23 3HB ALA 23 -4.634 6.633 -0.986
140 HB2 ALA 23 1HB ALA 23 -3.295 5.724 -0.285
141 HB3 ALA 23 2HB ALA 23 -4.065 7.013 0.639
142 H CYS 24 H CYS 24 -0.781 6.575 0.148
143 HA CYS 24 HA CYS 24 -0.493 7.905 2.541
144 HB2 CYS 24 1HB CYS 24 0.840 6.011 2.336
145 HB3 CYS 24 2HB CYS 24 1.443 6.482 0.752
146 HG CYS 24 HG CYS 24 3.665 7.403 1.622
147 H GLU 25 H GLU 25 0.780 8.797 -0.630
148 HA GLU 25 HA GLU 25 2.017 11.194 0.475
149 HB2 GLU 25 1HB GLU 25 2.034 9.927 -2.258
150 HB3 GLU 25 2HB GLU 25 2.688 11.534 -1.972
151 HG2 GLU 25 1HG GLU 25 4.006 10.254 -0.067
152 HG3 GLU 25 2HG GLU 25 3.722 8.885 -1.140
153 H THR 26 H THR 26 -0.762 10.210 -1.371
154 HA THR 26 HA THR 26 -1.443 12.860 -2.257
155 HB THR 26 HB THR 26 -2.933 10.240 -2.308
156 HG1 THR 26 HG1 THR 26 -1.202 10.673 -3.840
157 HG21 THR 26 3HG2 THR 26 -3.985 12.942 -2.548
158 HG22 THR 26 1HG2 THR 26 -4.841 11.408 -2.405
159 HG23 THR 26 2HG2 THR 26 -4.291 11.967 -3.985
160 H LEU 27 H LEU 27 -3.350 10.604 -0.265
161 HA LEU 27 HA LEU 27 -4.806 12.732 0.959
162 HB2 LEU 27 1HB LEU 27 -4.635 9.862 1.856
163 HB3 LEU 27 2HB LEU 27 -5.905 11.024 2.234
164 HG LEU 27 HG LEU 27 -5.344 9.976 -0.537
165 HD11 LEU 27 1HD1 LEU 27 -7.376 8.617 -0.204
166 HD12 LEU 27 2HD1 LEU 27 -7.390 9.093 1.494
167 HD13 LEU 27 3HD1 LEU 27 -6.051 8.138 0.857
168 HD21 LEU 27 3HD2 LEU 27 -7.673 10.847 -0.912
169 HD22 LEU 27 1HD2 LEU 27 -6.440 12.079 -0.646
170 HD23 LEU 27 2HD2 LEU 27 -7.548 11.645 0.656
171 H GLY 28 H GLY 28 -2.209 10.566 2.024
172 HA2 GLY 28 1HA GLY 28 -0.480 11.369 3.485
173 HA3 GLY 28 2HA GLY 28 -1.650 12.469 4.199
174 H LEU 29 H LEU 29 -0.001 9.614 4.624
175 HA LEU 29 HA LEU 29 -1.628 7.789 5.788
176 HB2 LEU 29 1HB LEU 29 1.052 8.744 6.777
177 HB3 LEU 29 2HB LEU 29 0.247 7.290 7.363
178 HG LEU 29 HG LEU 29 0.972 7.679 4.469
179 HD11 LEU 29 1HD1 LEU 29 2.613 6.285 6.577
180 HD12 LEU 29 2HD1 LEU 29 2.993 7.859 5.879
181 HD13 LEU 29 3HD1 LEU 29 2.987 6.421 4.859
182 HD21 LEU 29 3HD2 LEU 29 0.962 4.997 5.560
183 HD22 LEU 29 1HD2 LEU 29 0.103 5.652 4.166
184 HD23 LEU 29 2HD2 LEU 29 -0.593 5.802 5.780
185 H GLY 30 H GLY 30 -0.981 10.979 6.938
186 HA2 GLY 30 1HA GLY 30 -1.404 10.911 9.626
187 HA3 GLY 30 2HA GLY 30 -2.047 12.180 8.595
188 H ASN 31 H ASN 31 -3.817 10.394 7.129
189 HA ASN 31 HA ASN 31 -5.738 9.687 9.244
190 HB2 ASN 31 1HB ASN 31 -6.189 11.908 8.013
191 HB3 ASN 31 2HB ASN 31 -6.604 10.901 6.628
192 HD21 ASN 31 1HD2 ASN 31 -8.606 10.162 6.484
193 HD22 ASN 31 2HD2 ASN 31 -9.781 10.189 7.751
194 H TRP 32 H TRP 32 -5.367 7.495 9.061
195 HA TRP 32 HA TRP 32 -5.199 6.085 6.624
196 HB2 TRP 32 1HB TRP 32 -5.857 5.201 9.434
197 HB3 TRP 32 2HB TRP 32 -5.726 4.074 8.087
198 HD1 TRP 32 HD1 TRP 32 -3.661 5.874 10.623
199 HE1 TRP 32 HE1 TRP 32 -1.164 5.391 10.226
200 HE3 TRP 32 HE3 TRP 32 -3.982 3.669 6.021
201 HZ2 TRP 32 HZ2 TRP 32 0.455 4.231 8.227
202 HZ3 TRP 32 HZ3 TRP 32 -1.912 2.902 4.935
203 HH2 TRP 32 HH2 TRP 32 0.260 3.178 6.016
204 H ALA 33 H ALA 33 -7.905 6.882 8.734
205 HA ALA 33 HA ALA 33 -9.914 5.284 7.851
206 HB1 ALA 33 3HB ALA 33 -10.910 7.978 7.941
207 HB2 ALA 33 1HB ALA 33 -11.157 6.653 9.079
208 HB3 ALA 33 2HB ALA 33 -9.752 7.706 9.242
209 H ASP 34 H ASP 34 -8.703 8.190 6.219
210 HA ASP 34 HA ASP 34 -10.562 8.008 4.054
211 HB2 ASP 34 1HB ASP 34 -8.170 9.679 4.685
212 HB3 ASP 34 2HB ASP 34 -8.722 9.610 3.013
213 H ILE 35 H ILE 35 -7.189 7.067 4.539
214 HA ILE 35 HA ILE 35 -6.579 6.305 1.925
215 HB ILE 35 HB ILE 35 -5.558 5.105 4.502
216 HG12 ILE 35 1HG1 ILE 35 -4.342 7.242 2.740
217 HG13 ILE 35 2HG1 ILE 35 -5.221 7.566 4.230
218 HG21 ILE 35 1HG2 ILE 35 -3.782 5.070 2.199
219 HG22 ILE 35 2HG2 ILE 35 -4.187 3.786 3.336
220 HG23 ILE 35 3HG2 ILE 35 -5.239 4.107 1.958
221 HD11 ILE 35 3HD1 ILE 35 -3.026 5.643 4.490
222 HD12 ILE 35 1HD1 ILE 35 -2.541 7.281 4.053
223 HD13 ILE 35 2HD1 ILE 35 -3.482 7.001 5.519
224 H ALA 36 H ALA 36 -8.034 4.443 4.566
225 HA ALA 36 HA ALA 36 -8.088 1.925 3.462
226 HB1 ALA 36 3HB ALA 36 -10.156 3.289 5.175
227 HB2 ALA 36 1HB ALA 36 -10.165 1.565 4.802
228 HB3 ALA 36 2HB ALA 36 -8.823 2.264 5.708
229 H ASP 37 H ASP 37 -10.432 4.548 2.972
230 HA ASP 37 HA ASP 37 -12.090 3.047 1.207
231 HB2 ASP 37 1HB ASP 37 -12.644 5.181 2.595
232 HB3 ASP 37 2HB ASP 37 -11.981 6.047 1.212
233 H TYR 38 H TYR 38 -9.133 4.719 0.830
234 HA TYR 38 HA TYR 38 -9.449 5.185 -2.010
235 HB2 TYR 38 1HB TYR 38 -8.104 6.659 -0.422
236 HB3 TYR 38 2HB TYR 38 -6.890 5.385 -0.424
237 HD1 TYR 38 HD1 TYR 38 -5.595 4.902 -2.445
238 HD2 TYR 38 HD2 TYR 38 -8.432 8.072 -2.352
239 HE1 TYR 38 HE1 TYR 38 -4.611 5.836 -4.497
240 HE2 TYR 38 HE2 TYR 38 -7.457 9.013 -4.404
241 HH TYR 38 HH TYR 38 -6.000 8.696 -6.064
242 H VAL 39 H VAL 39 -7.791 2.919 0.116
243 HA VAL 39 HA VAL 39 -6.527 1.539 -2.092
244 HB VAL 39 HB VAL 39 -6.651 0.847 0.846
245 HG11 VAL 39 1HG1 VAL 39 -6.343 -1.133 -0.583
246 HG12 VAL 39 2HG1 VAL 39 -4.940 -0.361 -1.325
247 HG13 VAL 39 3HG1 VAL 39 -4.915 -0.780 0.389
248 HG21 VAL 39 3HG2 VAL 39 -5.424 2.923 0.302
249 HG22 VAL 39 1HG2 VAL 39 -4.377 1.658 0.945
250 HG23 VAL 39 2HG2 VAL 39 -4.389 1.998 -0.786
251 H GLY 40 H GLY 40 -8.507 0.233 0.567
252 HA2 GLY 40 1HA GLY 40 -10.363 -1.150 0.496
253 HA3 GLY 40 2HA GLY 40 -10.407 -0.942 -1.248
254 H ASN 41 H ASN 41 -10.262 -2.830 -2.244
255 HA ASN 41 HA ASN 41 -9.753 -5.013 -2.679
256 HB2 ASN 41 1HB ASN 41 -6.995 -4.487 -1.625
257 HB3 ASN 41 2HB ASN 41 -7.486 -5.407 -3.044
258 HD21 ASN 41 1HD2 ASN 41 -6.304 -2.489 -1.914
259 HD22 ASN 41 2HD2 ASN 41 -6.494 -1.556 -3.356
260 H ALA 42 H ALA 42 -11.078 -4.947 -0.366
261 HA ALA 42 HA ALA 42 -11.549 -6.204 1.473
262 HB1 ALA 42 3HB ALA 42 -9.509 -7.801 0.072
263 HB2 ALA 42 1HB ALA 42 -9.739 -8.175 1.781
264 HB3 ALA 42 2HB ALA 42 -11.104 -8.261 0.667
265 H ARG 43 H ARG 43 -9.735 -3.893 1.581
266 HA ARG 43 HA ARG 43 -8.311 -4.576 4.069
267 HB2 ARG 43 1HB ARG 43 -7.492 -2.396 2.149
268 HB3 ARG 43 2HB ARG 43 -6.590 -3.004 3.530
269 HG2 ARG 43 1HG ARG 43 -7.255 -4.667 1.114
270 HG3 ARG 43 2HG ARG 43 -5.754 -3.759 1.303
271 HD2 ARG 43 1HD ARG 43 -5.145 -5.043 3.229
272 HD3 ARG 43 2HD ARG 43 -6.722 -5.830 3.264
273 HE ARG 43 HE ARG 43 -5.501 -6.342 0.790
274 HH11 ARG 43 1HH1 ARG 43 -5.157 -7.137 4.162
275 HH12 ARG 43 2HH1 ARG 43 -4.424 -8.677 3.858
276 HH21 ARG 43 1HH2 ARG 43 -4.537 -8.367 0.377
277 HH22 ARG 43 2HH2 ARG 43 -4.071 -9.376 1.705
278 H THR 44 H THR 44 -7.819 -2.435 5.324
279 HA THR 44 HA THR 44 -9.836 -0.390 5.102
280 HB THR 44 HB THR 44 -10.868 -0.724 7.271
281 HG1 THR 44 HG1 THR 44 -10.341 -2.979 8.185
282 HG21 THR 44 3HG2 THR 44 -11.908 -1.830 5.347
283 HG22 THR 44 1HG2 THR 44 -12.143 -2.764 6.824
284 HG23 THR 44 2HG2 THR 44 -10.933 -3.269 5.644
285 H LYS 45 H LYS 45 -9.721 0.873 7.427
286 HA LYS 45 HA LYS 45 -7.180 2.072 7.452
287 HB2 LYS 45 1HB LYS 45 -7.990 3.213 9.521
288 HB3 LYS 45 2HB LYS 45 -9.098 3.331 8.160
289 HG2 LYS 45 1HG LYS 45 -10.255 1.282 9.210
290 HG3 LYS 45 2HG LYS 45 -9.356 1.718 10.665
291 HD2 LYS 45 1HD LYS 45 -10.403 3.847 10.776
292 HD3 LYS 45 2HD LYS 45 -11.089 3.668 9.159
293 HE2 LYS 45 1HE LYS 45 -12.527 1.880 9.936
294 HE3 LYS 45 2HE LYS 45 -11.789 1.946 11.536
295 HZ1 LYS 45 3HZ LYS 45 -12.637 4.509 11.012
296 HZ2 LYS 45 1HZ LYS 45 -13.358 3.399 12.066
297 HZ3 LYS 45 2HZ LYS 45 -13.898 3.521 10.468
298 H GLU 46 H GLU 46 -8.639 -0.387 9.521
299 HA GLU 46 HA GLU 46 -6.570 -0.466 11.447
300 HB2 GLU 46 1HB GLU 46 -8.611 -2.537 10.630
301 HB3 GLU 46 2HB GLU 46 -7.524 -2.724 11.999
302 HG2 GLU 46 1HG GLU 46 -8.485 -0.713 13.021
303 HG3 GLU 46 2HG GLU 46 -9.598 -0.570 11.662
304 H GLU 47 H GLU 47 -7.057 -2.087 8.371
305 HA GLU 47 HA GLU 47 -4.720 -3.770 8.743
306 HB2 GLU 47 1HB GLU 47 -6.374 -3.451 6.240
307 HB3 GLU 47 2HB GLU 47 -5.298 -4.779 6.651
308 HG2 GLU 47 1HG GLU 47 -7.657 -4.166 8.377
309 HG3 GLU 47 2HG GLU 47 -7.855 -5.081 6.883
310 H CYS 48 H CYS 48 -5.715 -1.569 6.118
311 HA CYS 48 HA CYS 48 -3.366 -1.248 4.815
312 HB2 CYS 48 1HB CYS 48 -5.455 0.838 5.446
313 HB3 CYS 48 2HB CYS 48 -4.120 1.129 4.337
314 HG CYS 48 HG CYS 48 -4.930 -0.490 2.366
315 H ARG 49 H ARG 49 -4.256 0.214 7.883
316 HA ARG 49 HA ARG 49 -2.181 2.075 8.109
317 HB2 ARG 49 1HB ARG 49 -3.950 2.240 9.666
318 HB3 ARG 49 2HB ARG 49 -3.787 0.558 10.152
319 HG2 ARG 49 1HG ARG 49 -1.622 1.088 11.190
320 HG3 ARG 49 2HG ARG 49 -1.845 2.781 10.744
321 HD2 ARG 49 1HD ARG 49 -2.503 2.526 13.027
322 HD3 ARG 49 2HD ARG 49 -3.960 2.774 12.065
323 HE ARG 49 HE ARG 49 -3.268 0.010 12.554
324 HH11 ARG 49 1HH1 ARG 49 -5.057 2.795 13.630
325 HH12 ARG 49 2HH1 ARG 49 -6.194 1.870 14.555
326 HH21 ARG 49 1HH2 ARG 49 -4.757 -1.219 13.768
327 HH22 ARG 49 2HH2 ARG 49 -6.022 -0.413 14.633
328 H ASP 50 H ASP 50 -2.306 -0.948 9.983
329 HA ASP 50 HA ASP 50 0.420 -1.006 10.578
330 HB2 ASP 50 1HB ASP 50 -1.778 -3.029 10.622
331 HB3 ASP 50 2HB ASP 50 -0.119 -3.585 10.824
332 H HIS 51 H HIS 51 -1.376 -2.706 8.024
333 HA HIS 51 HA HIS 51 0.441 -4.294 6.864
334 HB2 HIS 51 1HB HIS 51 -1.634 -4.153 5.777
335 HB3 HIS 51 2HB HIS 51 -1.519 -2.406 5.587
336 HD1 HIS 51 HD1 HIS 51 0.409 -5.448 4.336
337 HD2 HIS 51 HD2 HIS 51 -0.889 -1.714 3.059
338 HE1 HIS 51 HE1 HIS 51 1.115 -5.278 1.929
339 HE2 HIS 51 HE2 HIS 51 0.395 -2.977 1.202
340 H TYR 52 H TYR 52 0.439 -0.773 6.658
341 HA TYR 52 HA TYR 52 2.763 -0.738 4.934
342 HB2 TYR 52 1HB TYR 52 0.945 0.966 4.764
343 HB3 TYR 52 2HB TYR 52 1.415 1.570 6.349
344 HD1 TYR 52 HD2 TYR 52 3.971 2.215 6.565
345 HD2 TYR 52 HD1 TYR 52 1.841 1.977 2.889
346 HE1 TYR 52 HE2 TYR 52 5.632 3.693 5.513
347 HE2 TYR 52 HE1 TYR 52 3.496 3.454 1.827
348 HH TYR 52 HH TYR 52 5.724 4.221 2.102
349 H LEU 53 H LEU 53 1.998 0.204 8.275
350 HA LEU 53 HA LEU 53 4.618 1.001 8.962
351 HB2 LEU 53 1HB LEU 53 2.351 0.028 10.694
352 HB3 LEU 53 2HB LEU 53 3.832 0.767 11.302
353 HG LEU 53 HG LEU 53 1.969 2.205 9.428
354 HD11 LEU 53 1HD1 LEU 53 1.459 1.453 12.131
355 HD12 LEU 53 2HD1 LEU 53 0.474 2.433 11.046
356 HD13 LEU 53 3HD1 LEU 53 1.702 3.199 12.054
357 HD21 LEU 53 3HD2 LEU 53 3.060 4.178 10.540
358 HD22 LEU 53 1HD2 LEU 53 4.122 3.202 9.525
359 HD23 LEU 53 2HD2 LEU 53 4.190 3.043 11.281
360 H LYS 54 H LYS 54 3.420 -2.023 8.245
361 HA LYS 54 HA LYS 54 5.381 -3.392 9.955
362 HB2 LYS 54 1HB LYS 54 4.115 -5.370 9.727
363 HB3 LYS 54 2HB LYS 54 2.931 -4.093 9.972
364 HG2 LYS 54 1HG LYS 54 2.212 -4.159 7.769
365 HG3 LYS 54 2HG LYS 54 3.684 -4.956 7.210
366 HD2 LYS 54 1HD LYS 54 1.800 -6.300 9.122
367 HD3 LYS 54 2HD LYS 54 1.540 -6.360 7.377
368 HE2 LYS 54 1HE LYS 54 3.899 -7.231 7.178
369 HE3 LYS 54 2HE LYS 54 3.902 -7.394 8.933
370 HZ1 LYS 54 3HZ LYS 54 2.910 -9.191 7.055
371 HZ2 LYS 54 1HZ LYS 54 1.575 -8.586 7.900
372 HZ3 LYS 54 2HZ LYS 54 2.848 -9.314 8.742
373 H THR 55 H THR 55 4.566 -2.620 6.685
374 HA THR 55 HA THR 55 6.571 -4.479 5.636
375 HB THR 55 HB THR 55 4.570 -2.730 4.193
376 HG1 THR 55 HG1 THR 55 4.599 -5.534 4.077
377 HG21 THR 55 3HG2 THR 55 5.271 -3.830 2.157
378 HG22 THR 55 1HG2 THR 55 6.435 -4.810 3.047
379 HG23 THR 55 2HG2 THR 55 6.670 -3.067 2.913
380 H TYR 56 H TYR 56 5.716 -1.026 5.413
381 HA TYR 56 HA TYR 56 8.208 -0.336 4.173
382 HB2 TYR 56 1HB TYR 56 5.971 1.323 5.339
383 HB3 TYR 56 2HB TYR 56 7.409 2.029 4.609
384 HD1 TYR 56 HD1 TYR 56 4.921 -0.631 3.736
385 HD2 TYR 56 HD2 TYR 56 7.146 2.759 2.446
386 HE1 TYR 56 HE1 TYR 56 3.867 -0.789 1.519
387 HE2 TYR 56 HE2 TYR 56 6.097 2.611 0.226
388 HH TYR 56 HH TYR 56 4.945 0.412 -1.120
389 H ILE 57 H ILE 57 6.795 0.778 7.254
390 HA ILE 57 HA ILE 57 9.106 1.831 8.348
391 HB ILE 57 HB ILE 57 6.670 0.640 9.645
392 HG12 ILE 57 1HG1 ILE 57 6.036 2.885 10.035
393 HG13 ILE 57 2HG1 ILE 57 7.664 3.483 9.732
394 HG21 ILE 57 1HG2 ILE 57 8.283 0.221 11.290
395 HG22 ILE 57 2HG2 ILE 57 9.140 1.725 10.958
396 HG23 ILE 57 3HG2 ILE 57 7.568 1.763 11.757
397 HD11 ILE 57 3HD1 ILE 57 6.212 4.056 7.901
398 HD12 ILE 57 1HD1 ILE 57 7.414 2.884 7.363
399 HD13 ILE 57 2HD1 ILE 57 5.760 2.365 7.690
400 H GLU 58 H GLU 58 7.695 -1.269 9.408
401 HA GLU 58 HA GLU 58 10.196 -2.136 10.505
402 HB2 GLU 58 1HB GLU 58 7.704 -2.729 11.173
403 HB3 GLU 58 2HB GLU 58 7.946 -4.038 10.024
404 HG2 GLU 58 1HG GLU 58 10.007 -3.598 12.117
405 HG3 GLU 58 2HG GLU 58 8.472 -4.331 12.582
Start of MODEL 13
1 H1 GLY 1 H GLY 1 11.844 4.491 -5.008
2 HA2 GLY 1 1HA GLY 1 10.297 5.801 -7.065
3 HA3 GLY 1 2HA GLY 1 10.916 4.226 -7.539
4 H SER 2 H SER 2 8.589 3.749 -7.748
5 HA SER 2 HA SER 2 7.341 3.150 -5.149
6 HB2 SER 2 1HB SER 2 6.170 4.681 -6.874
7 HB3 SER 2 2HB SER 2 5.865 3.195 -7.773
8 HG SER 2 HG SER 2 4.854 2.389 -5.839
9 H SER 3 H SER 3 8.453 1.184 -4.860
10 HA SER 3 HA SER 3 7.149 -1.087 -5.940
11 HB2 SER 3 1HB SER 3 9.106 -2.093 -7.098
12 HB3 SER 3 2HB SER 3 8.512 -0.642 -7.905
13 HG SER 3 HG SER 3 10.585 -0.484 -6.005
14 H GLY 4 H GLY 4 7.643 -2.978 -4.818
15 HA2 GLY 4 1HA GLY 4 9.897 -3.345 -3.172
16 HA3 GLY 4 2HA GLY 4 8.596 -2.674 -2.199
17 H SER 5 H SER 5 7.622 -4.208 -1.072
18 HA SER 5 HA SER 5 7.020 -6.341 -0.424
19 HB2 SER 5 1HB SER 5 5.596 -6.113 -3.086
20 HB3 SER 5 2HB SER 5 5.136 -7.170 -1.752
21 HG SER 5 HG SER 5 4.267 -5.528 -0.748
22 H SER 6 H SER 6 9.547 -6.450 -1.579
23 HA SER 6 HA SER 6 9.990 -8.142 -3.691
24 HB2 SER 6 1HB SER 6 11.786 -6.987 -2.456
25 HB3 SER 6 2HB SER 6 11.549 -8.081 -1.094
26 HG SER 6 HG SER 6 12.033 -9.805 -2.636
27 H GLY 7 H GLY 7 9.378 -9.046 -0.310
28 HA2 GLY 7 1HA GLY 7 8.813 -11.787 -1.264
29 HA3 GLY 7 2HA GLY 7 9.614 -11.467 0.268
30 H PHE 8 H PHE 8 8.417 -10.946 2.051
31 HA PHE 8 HA PHE 8 6.553 -11.236 3.370
32 HB2 PHE 8 1HB PHE 8 5.965 -8.988 1.476
33 HB3 PHE 8 2HB PHE 8 4.749 -9.478 2.651
34 HD1 PHE 8 HD2 PHE 8 5.393 -9.480 5.105
35 HD2 PHE 8 HD1 PHE 8 7.724 -7.589 2.087
36 HE1 PHE 8 HE2 PHE 8 6.500 -8.110 6.823
37 HE2 PHE 8 HE1 PHE 8 8.836 -6.217 3.800
38 HZ PHE 8 HZ PHE 8 8.224 -6.476 6.172
39 H ASP 9 H ASP 9 6.624 -13.224 1.408
40 HA ASP 9 HA ASP 9 5.319 -14.594 0.080
41 HB2 ASP 9 1HB ASP 9 3.486 -14.208 2.455
42 HB3 ASP 9 2HB ASP 9 3.524 -15.598 1.374
43 H GLU 10 H GLU 10 5.009 -11.992 -0.829
44 HA GLU 10 HA GLU 10 3.517 -10.485 -1.758
45 HB2 GLU 10 1HB GLU 10 2.394 -13.050 -2.885
46 HB3 GLU 10 2HB GLU 10 2.396 -11.463 -3.640
47 HG2 GLU 10 1HG GLU 10 4.856 -11.553 -3.755
48 HG3 GLU 10 2HG GLU 10 4.802 -13.183 -3.085
49 H ASN 11 H ASN 11 2.644 -10.838 0.777
50 HA ASN 11 HA ASN 11 0.132 -11.870 1.243
51 HB2 ASN 11 1HB ASN 11 -0.065 -10.120 3.025
52 HB3 ASN 11 2HB ASN 11 1.453 -11.012 3.064
53 HD21 ASN 11 1HD2 ASN 11 0.481 -8.205 3.839
54 HD22 ASN 11 2HD2 ASN 11 1.714 -7.173 3.207
55 H TRP 12 H TRP 12 0.961 -8.633 0.036
56 HA TRP 12 HA TRP 12 -1.872 -8.161 -0.558
57 HB2 TRP 12 1HB TRP 12 0.506 -6.372 -0.201
58 HB3 TRP 12 2HB TRP 12 -0.876 -5.804 -1.134
59 HD1 TRP 12 HD1 TRP 12 -0.890 -7.815 2.185
60 HE1 TRP 12 HE1 TRP 12 -2.255 -6.480 3.911
61 HE3 TRP 12 HE3 TRP 12 -1.894 -3.657 -0.615
62 HZ2 TRP 12 HZ2 TRP 12 -3.582 -3.993 4.065
63 HZ3 TRP 12 HZ3 TRP 12 -3.218 -1.846 0.395
64 HH2 TRP 12 HH2 TRP 12 -4.044 -2.013 2.687
65 H GLY 13 H GLY 13 -1.878 -6.491 -2.629
66 HA2 GLY 13 1HA GLY 13 -0.513 -7.979 -4.788
67 HA3 GLY 13 2HA GLY 13 -2.175 -7.426 -4.925
68 H ALA 14 H ALA 14 0.112 -6.825 -6.635
69 HA ALA 14 HA ALA 14 1.346 -4.425 -6.325
70 HB1 ALA 14 3HB ALA 14 1.763 -5.736 -8.273
71 HB2 ALA 14 1HB ALA 14 0.096 -5.557 -8.820
72 HB3 ALA 14 2HB ALA 14 1.174 -4.161 -8.808
73 H ASP 15 H ASP 15 -2.030 -4.957 -7.179
74 HA ASP 15 HA ASP 15 -2.679 -2.295 -7.830
75 HB2 ASP 15 1HB ASP 15 -4.486 -4.424 -6.664
76 HB3 ASP 15 2HB ASP 15 -5.006 -2.972 -7.514
77 H GLU 16 H GLU 16 -3.765 -4.004 -4.899
78 HA GLU 16 HA GLU 16 -4.388 -1.694 -3.460
79 HB2 GLU 16 1HB GLU 16 -4.281 -3.187 -1.445
80 HB3 GLU 16 2HB GLU 16 -5.293 -3.788 -2.751
81 HG2 GLU 16 1HG GLU 16 -2.464 -4.673 -2.671
82 HG3 GLU 16 2HG GLU 16 -3.577 -5.335 -1.474
83 H GLU 17 H GLU 17 -1.357 -3.063 -4.199
84 HA GLU 17 HA GLU 17 0.049 -1.965 -1.932
85 HB2 GLU 17 1HB GLU 17 0.823 -3.460 -4.402
86 HB3 GLU 17 2HB GLU 17 2.060 -2.568 -3.528
87 HG2 GLU 17 1HG GLU 17 0.275 -4.485 -2.093
88 HG3 GLU 17 2HG GLU 17 1.679 -5.060 -2.990
89 H LEU 18 H LEU 18 -0.732 -0.999 -5.185
90 HA LEU 18 HA LEU 18 1.147 1.196 -5.210
91 HB2 LEU 18 1HB LEU 18 0.868 0.521 -7.354
92 HB3 LEU 18 2HB LEU 18 -0.796 0.004 -7.088
93 HG LEU 18 HG LEU 18 -1.316 2.542 -7.017
94 HD11 LEU 18 1HD1 LEU 18 0.368 3.590 -8.773
95 HD12 LEU 18 2HD1 LEU 18 1.484 2.471 -7.992
96 HD13 LEU 18 3HD1 LEU 18 0.646 3.691 -7.034
97 HD21 LEU 18 3HD2 LEU 18 -1.617 0.660 -8.895
98 HD22 LEU 18 1HD2 LEU 18 -0.533 1.753 -9.756
99 HD23 LEU 18 2HD2 LEU 18 -2.076 2.346 -9.140
100 H LEU 19 H LEU 19 -2.383 0.822 -5.041
101 HA LEU 19 HA LEU 19 -3.093 3.500 -4.922
102 HB2 LEU 19 1HB LEU 19 -4.327 1.035 -3.740
103 HB3 LEU 19 2HB LEU 19 -5.057 2.624 -3.524
104 HG LEU 19 HG LEU 19 -5.893 1.053 -5.419
105 HD11 LEU 19 1HD1 LEU 19 -5.268 3.975 -5.798
106 HD12 LEU 19 2HD1 LEU 19 -6.744 3.267 -5.144
107 HD13 LEU 19 3HD1 LEU 19 -6.341 3.048 -6.847
108 HD21 LEU 19 3HD2 LEU 19 -4.686 1.604 -7.571
109 HD22 LEU 19 1HD2 LEU 19 -3.862 0.485 -6.486
110 HD23 LEU 19 2HD2 LEU 19 -3.348 2.171 -6.571
111 H LEU 20 H LEU 20 -2.273 1.299 -2.256
112 HA LEU 20 HA LEU 20 -2.736 2.885 -0.081
113 HB2 LEU 20 1HB LEU 20 -1.923 0.570 0.018
114 HB3 LEU 20 2HB LEU 20 -0.331 1.116 -0.507
115 HG LEU 20 HG LEU 20 -0.201 2.476 1.592
116 HD11 LEU 20 1HD1 LEU 20 -1.727 1.803 3.429
117 HD12 LEU 20 2HD1 LEU 20 -2.704 0.932 2.247
118 HD13 LEU 20 3HD1 LEU 20 -2.530 2.683 2.129
119 HD21 LEU 20 3HD2 LEU 20 -0.452 -0.519 1.717
120 HD22 LEU 20 1HD2 LEU 20 0.131 0.451 3.070
121 HD23 LEU 20 2HD2 LEU 20 1.012 0.450 1.542
122 H ILE 21 H ILE 21 0.286 2.805 -1.968
123 HA ILE 21 HA ILE 21 1.611 4.835 -0.570
124 HB ILE 21 HB ILE 21 1.907 4.063 -3.475
125 HG12 ILE 21 1HG1 ILE 21 3.812 3.260 -1.318
126 HG13 ILE 21 2HG1 ILE 21 2.290 2.388 -1.459
127 HG21 ILE 21 1HG2 ILE 21 3.428 5.664 -3.684
128 HG22 ILE 21 2HG2 ILE 21 3.008 6.240 -2.071
129 HG23 ILE 21 3HG2 ILE 21 4.302 5.060 -2.276
130 HD11 ILE 21 3HD1 ILE 21 2.853 1.455 -3.464
131 HD12 ILE 21 1HD1 ILE 21 3.946 2.769 -3.896
132 HD13 ILE 21 2HD1 ILE 21 4.439 1.569 -2.701
133 H ASP 22 H ASP 22 0.126 5.128 -3.803
134 HA ASP 22 HA ASP 22 0.254 7.783 -4.228
135 HB2 ASP 22 1HB ASP 22 -1.012 5.849 -5.518
136 HB3 ASP 22 2HB ASP 22 -2.416 6.532 -4.703
137 H ALA 23 H ALA 23 -2.033 6.178 -2.071
138 HA ALA 23 HA ALA 23 -3.483 8.547 -1.418
139 HB1 ALA 23 3HB ALA 23 -3.820 6.740 0.681
140 HB2 ALA 23 1HB ALA 23 -4.876 6.967 -0.714
141 HB3 ALA 23 2HB ALA 23 -3.604 5.745 -0.759
142 H CYS 24 H CYS 24 -1.007 6.649 0.301
143 HA CYS 24 HA CYS 24 -0.807 8.053 2.636
144 HB2 CYS 24 1HB CYS 24 1.485 6.941 1.004
145 HB3 CYS 24 2HB CYS 24 1.565 7.365 2.710
146 HG CYS 24 HG CYS 24 -0.933 5.279 2.199
147 H GLU 25 H GLU 25 0.529 8.927 -0.507
148 HA GLU 25 HA GLU 25 1.709 11.354 0.595
149 HB2 GLU 25 1HB GLU 25 1.722 10.271 -2.228
150 HB3 GLU 25 2HB GLU 25 2.605 11.687 -1.677
151 HG2 GLU 25 1HG GLU 25 4.041 10.390 -0.329
152 HG3 GLU 25 2HG GLU 25 3.023 8.960 -0.495
153 H THR 26 H THR 26 -0.964 10.315 -1.408
154 HA THR 26 HA THR 26 -1.684 12.949 -2.282
155 HB THR 26 HB THR 26 -3.153 10.314 -2.366
156 HG1 THR 26 HG1 THR 26 -2.256 11.892 -4.543
157 HG21 THR 26 3HG2 THR 26 -4.801 12.102 -2.172
158 HG22 THR 26 1HG2 THR 26 -4.806 11.432 -3.802
159 HG23 THR 26 2HG2 THR 26 -4.023 12.981 -3.487
160 H LEU 27 H LEU 27 -3.607 10.653 -0.350
161 HA LEU 27 HA LEU 27 -5.127 12.767 0.834
162 HB2 LEU 27 1HB LEU 27 -4.988 9.869 1.647
163 HB3 LEU 27 2HB LEU 27 -6.251 11.024 2.069
164 HG LEU 27 HG LEU 27 -5.677 10.032 -0.723
165 HD11 LEU 27 1HD1 LEU 27 -7.056 8.317 -0.384
166 HD12 LEU 27 2HD1 LEU 27 -8.229 9.324 0.464
167 HD13 LEU 27 3HD1 LEU 27 -6.863 8.634 1.340
168 HD21 LEU 27 3HD2 LEU 27 -7.787 11.105 -1.288
169 HD22 LEU 27 1HD2 LEU 27 -6.644 12.281 -0.638
170 HD23 LEU 27 2HD2 LEU 27 -7.957 11.676 0.372
171 H GLY 28 H GLY 28 -2.620 10.539 2.000
172 HA2 GLY 28 1HA GLY 28 -0.935 11.481 3.511
173 HA3 GLY 28 2HA GLY 28 -2.240 12.354 4.300
174 H LEU 29 H LEU 29 -0.215 10.364 5.283
175 HA LEU 29 HA LEU 29 -1.675 8.006 5.982
176 HB2 LEU 29 1HB LEU 29 0.947 9.180 6.839
177 HB3 LEU 29 2HB LEU 29 0.281 7.755 7.635
178 HG LEU 29 HG LEU 29 0.688 7.803 4.665
179 HD11 LEU 29 1HD1 LEU 29 2.905 7.261 4.796
180 HD12 LEU 29 2HD1 LEU 29 2.781 6.675 6.454
181 HD13 LEU 29 3HD1 LEU 29 2.784 8.409 6.130
182 HD21 LEU 29 3HD2 LEU 29 0.788 5.415 4.924
183 HD22 LEU 29 1HD2 LEU 29 -0.658 6.015 5.738
184 HD23 LEU 29 2HD2 LEU 29 0.762 5.562 6.682
185 H GLY 30 H GLY 30 -1.058 11.111 7.488
186 HA2 GLY 30 1HA GLY 30 -1.574 10.799 10.109
187 HA3 GLY 30 2HA GLY 30 -2.262 12.129 9.189
188 H ASN 31 H ASN 31 -3.959 10.458 7.547
189 HA ASN 31 HA ASN 31 -5.860 9.463 9.563
190 HB2 ASN 31 1HB ASN 31 -6.336 11.785 8.442
191 HB3 ASN 31 2HB ASN 31 -6.834 10.805 7.066
192 HD21 ASN 31 1HD2 ASN 31 -8.653 12.409 8.217
193 HD22 ASN 31 2HD2 ASN 31 -9.812 11.483 9.101
194 H TRP 32 H TRP 32 -5.397 7.314 9.183
195 HA TRP 32 HA TRP 32 -5.094 6.114 6.671
196 HB2 TRP 32 1HB TRP 32 -5.952 4.999 9.341
197 HB3 TRP 32 2HB TRP 32 -5.725 3.986 7.919
198 HD1 TRP 32 HD1 TRP 32 -3.850 5.539 10.742
199 HE1 TRP 32 HE1 TRP 32 -1.329 5.091 10.479
200 HE3 TRP 32 HE3 TRP 32 -3.834 3.780 5.942
201 HZ2 TRP 32 HZ2 TRP 32 0.433 4.121 8.499
202 HZ3 TRP 32 HZ3 TRP 32 -1.689 3.114 4.937
203 HH2 TRP 32 HH2 TRP 32 0.399 3.282 6.190
204 H ALA 33 H ALA 33 -7.959 6.769 8.604
205 HA ALA 33 HA ALA 33 -9.900 5.245 7.497
206 HB1 ALA 33 3HB ALA 33 -9.807 7.789 8.820
207 HB2 ALA 33 1HB ALA 33 -11.047 7.802 7.566
208 HB3 ALA 33 2HB ALA 33 -11.082 6.570 8.828
209 H ASP 34 H ASP 34 -8.485 8.149 6.047
210 HA ASP 34 HA ASP 34 -10.179 8.121 3.751
211 HB2 ASP 34 1HB ASP 34 -7.520 9.486 4.219
212 HB3 ASP 34 2HB ASP 34 -8.578 9.785 2.843
213 H ILE 35 H ILE 35 -6.957 6.884 4.474
214 HA ILE 35 HA ILE 35 -6.304 6.108 1.830
215 HB ILE 35 HB ILE 35 -5.277 4.990 4.442
216 HG12 ILE 35 1HG1 ILE 35 -3.889 6.984 2.665
217 HG13 ILE 35 2HG1 ILE 35 -5.012 7.505 3.917
218 HG21 ILE 35 1HG2 ILE 35 -4.783 4.267 1.687
219 HG22 ILE 35 2HG2 ILE 35 -3.305 4.782 2.498
220 HG23 ILE 35 3HG2 ILE 35 -4.268 3.467 3.172
221 HD11 ILE 35 3HD1 ILE 35 -2.297 7.000 4.194
222 HD12 ILE 35 1HD1 ILE 35 -3.467 7.279 5.483
223 HD13 ILE 35 2HD1 ILE 35 -3.097 5.633 4.969
224 H ALA 36 H ALA 36 -8.070 4.561 4.425
225 HA ALA 36 HA ALA 36 -8.057 1.927 3.422
226 HB1 ALA 36 3HB ALA 36 -8.753 2.744 5.739
227 HB2 ALA 36 1HB ALA 36 -10.319 3.100 5.010
228 HB3 ALA 36 2HB ALA 36 -9.704 1.446 5.017
229 H ASP 37 H ASP 37 -10.366 4.594 3.005
230 HA ASP 37 HA ASP 37 -12.145 3.115 1.349
231 HB2 ASP 37 1HB ASP 37 -12.709 5.198 2.681
232 HB3 ASP 37 2HB ASP 37 -11.866 6.120 1.440
233 H TYR 38 H TYR 38 -9.207 4.831 0.785
234 HA TYR 38 HA TYR 38 -9.644 5.116 -2.061
235 HB2 TYR 38 1HB TYR 38 -8.320 6.764 -0.709
236 HB3 TYR 38 2HB TYR 38 -7.085 5.527 -0.505
237 HD1 TYR 38 HD1 TYR 38 -5.753 4.772 -2.436
238 HD2 TYR 38 HD2 TYR 38 -8.564 7.948 -2.782
239 HE1 TYR 38 HE1 TYR 38 -4.714 5.452 -4.559
240 HE2 TYR 38 HE2 TYR 38 -7.534 8.635 -4.907
241 HH TYR 38 HH TYR 38 -5.934 8.244 -6.390
242 H VAL 39 H VAL 39 -7.885 3.002 0.127
243 HA VAL 39 HA VAL 39 -6.636 1.549 -2.049
244 HB VAL 39 HB VAL 39 -6.623 1.071 0.933
245 HG11 VAL 39 1HG1 VAL 39 -6.373 -1.048 -0.190
246 HG12 VAL 39 2HG1 VAL 39 -5.148 -0.373 -1.266
247 HG13 VAL 39 3HG1 VAL 39 -4.811 -0.547 0.457
248 HG21 VAL 39 3HG2 VAL 39 -5.420 3.083 0.146
249 HG22 VAL 39 1HG2 VAL 39 -4.345 1.872 0.846
250 HG23 VAL 39 2HG2 VAL 39 -4.443 2.058 -0.905
251 H GLY 40 H GLY 40 -8.506 0.365 0.747
252 HA2 GLY 40 1HA GLY 40 -10.239 -1.148 0.865
253 HA3 GLY 40 2HA GLY 40 -10.482 -0.919 -0.860
254 H ASN 41 H ASN 41 -10.409 -2.801 -1.878
255 HA ASN 41 HA ASN 41 -9.811 -4.908 -2.495
256 HB2 ASN 41 1HB ASN 41 -7.055 -4.358 -1.427
257 HB3 ASN 41 2HB ASN 41 -7.522 -5.299 -2.840
258 HD21 ASN 41 1HD2 ASN 41 -6.596 -2.260 -1.656
259 HD22 ASN 41 2HD2 ASN 41 -6.747 -1.373 -3.131
260 H ALA 42 H ALA 42 -11.109 -4.934 -0.146
261 HA ALA 42 HA ALA 42 -11.574 -6.321 1.602
262 HB1 ALA 42 3HB ALA 42 -9.617 -7.807 0.049
263 HB2 ALA 42 1HB ALA 42 -9.572 -8.207 1.766
264 HB3 ALA 42 2HB ALA 42 -11.078 -8.366 0.863
265 H ARG 43 H ARG 43 -9.698 -3.997 1.757
266 HA ARG 43 HA ARG 43 -8.316 -4.754 4.248
267 HB2 ARG 43 1HB ARG 43 -7.539 -2.472 2.432
268 HB3 ARG 43 2HB ARG 43 -6.628 -3.122 3.788
269 HG2 ARG 43 1HG ARG 43 -7.238 -4.644 1.264
270 HG3 ARG 43 2HG ARG 43 -5.735 -3.771 1.574
271 HD2 ARG 43 1HD ARG 43 -5.175 -5.206 3.380
272 HD3 ARG 43 2HD ARG 43 -6.783 -5.930 3.389
273 HE ARG 43 HE ARG 43 -5.327 -6.284 0.926
274 HH11 ARG 43 1HH1 ARG 43 -6.008 -7.567 4.090
275 HH12 ARG 43 2HH1 ARG 43 -5.581 -9.191 3.666
276 HH21 ARG 43 1HH2 ARG 43 -4.762 -8.419 0.355
277 HH22 ARG 43 2HH2 ARG 43 -4.872 -9.675 1.542
278 H THR 44 H THR 44 -7.768 -2.456 5.412
279 HA THR 44 HA THR 44 -9.862 -0.523 5.334
280 HB THR 44 HB THR 44 -11.117 -2.308 6.446
281 HG1 THR 44 HG1 THR 44 -11.699 -1.066 8.291
282 HG21 THR 44 3HG2 THR 44 -8.661 -2.816 7.732
283 HG22 THR 44 1HG2 THR 44 -10.186 -3.677 7.937
284 HG23 THR 44 2HG2 THR 44 -9.793 -2.316 8.988
285 H LYS 45 H LYS 45 -9.594 1.157 6.961
286 HA LYS 45 HA LYS 45 -7.086 2.139 7.244
287 HB2 LYS 45 1HB LYS 45 -7.914 3.492 9.127
288 HB3 LYS 45 2HB LYS 45 -9.068 3.438 7.802
289 HG2 LYS 45 1HG LYS 45 -10.362 1.744 9.003
290 HG3 LYS 45 2HG LYS 45 -9.209 1.818 10.337
291 HD2 LYS 45 1HD LYS 45 -9.856 3.984 10.930
292 HD3 LYS 45 2HD LYS 45 -10.622 4.281 9.368
293 HE2 LYS 45 1HE LYS 45 -11.680 2.080 11.066
294 HE3 LYS 45 2HE LYS 45 -12.039 3.741 11.535
295 HZ1 LYS 45 3HZ LYS 45 -13.679 2.582 10.008
296 HZ2 LYS 45 1HZ LYS 45 -12.523 2.766 8.786
297 HZ3 LYS 45 2HZ LYS 45 -13.172 4.129 9.548
298 H GLU 46 H GLU 46 -8.751 0.106 9.642
299 HA GLU 46 HA GLU 46 -6.743 0.030 11.564
300 HB2 GLU 46 1HB GLU 46 -8.757 -2.094 10.811
301 HB3 GLU 46 2HB GLU 46 -7.767 -2.140 12.263
302 HG2 GLU 46 1HG GLU 46 -8.810 -0.148 13.104
303 HG3 GLU 46 2HG GLU 46 -9.706 0.063 11.601
304 H GLU 47 H GLU 47 -7.087 -1.760 8.573
305 HA GLU 47 HA GLU 47 -4.810 -3.462 9.188
306 HB2 GLU 47 1HB GLU 47 -6.646 -3.287 6.798
307 HB3 GLU 47 2HB GLU 47 -5.265 -4.372 6.874
308 HG2 GLU 47 1HG GLU 47 -7.445 -4.406 8.935
309 HG3 GLU 47 2HG GLU 47 -7.532 -5.345 7.445
310 H CYS 48 H CYS 48 -5.648 -1.441 6.369
311 HA CYS 48 HA CYS 48 -3.313 -1.235 5.085
312 HB2 CYS 48 1HB CYS 48 -5.240 1.000 5.720
313 HB3 CYS 48 2HB CYS 48 -3.903 1.185 4.593
314 HG CYS 48 HG CYS 48 -6.344 -1.177 4.199
315 H ARG 49 H ARG 49 -4.062 0.351 8.134
316 HA ARG 49 HA ARG 49 -1.846 2.043 8.311
317 HB2 ARG 49 1HB ARG 49 -3.668 2.294 9.853
318 HB3 ARG 49 2HB ARG 49 -3.451 0.658 10.459
319 HG2 ARG 49 1HG ARG 49 -1.224 1.338 11.328
320 HG3 ARG 49 2HG ARG 49 -1.594 2.993 10.841
321 HD2 ARG 49 1HD ARG 49 -3.389 1.411 12.659
322 HD3 ARG 49 2HD ARG 49 -2.040 2.369 13.269
323 HE ARG 49 HE ARG 49 -3.900 3.781 11.558
324 HH11 ARG 49 1HH1 ARG 49 -2.990 2.928 14.808
325 HH12 ARG 49 2HH1 ARG 49 -3.839 4.252 15.533
326 HH21 ARG 49 1HH2 ARG 49 -5.022 5.529 12.501
327 HH22 ARG 49 2HH2 ARG 49 -4.996 5.731 14.220
328 H ASP 50 H ASP 50 -2.197 -0.948 10.211
329 HA ASP 50 HA ASP 50 0.508 -1.209 10.829
330 HB2 ASP 50 1HB ASP 50 -1.033 -2.454 12.126
331 HB3 ASP 50 2HB ASP 50 -1.732 -3.221 10.702
332 H HIS 51 H HIS 51 -1.356 -2.555 8.141
333 HA HIS 51 HA HIS 51 0.445 -4.295 7.031
334 HB2 HIS 51 1HB HIS 51 -1.689 -4.147 6.023
335 HB3 HIS 51 2HB HIS 51 -1.525 -2.416 5.738
336 HD1 HIS 51 HD1 HIS 51 0.084 -5.653 4.555
337 HD2 HIS 51 HD2 HIS 51 -0.733 -1.804 3.221
338 HE1 HIS 51 HE1 HIS 51 0.791 -5.614 2.142
339 HE2 HIS 51 HE2 HIS 51 0.367 -3.251 1.380
340 H TYR 52 H TYR 52 0.371 -0.775 6.705
341 HA TYR 52 HA TYR 52 2.623 -0.713 4.919
342 HB2 TYR 52 1HB TYR 52 0.850 1.015 4.865
343 HB3 TYR 52 2HB TYR 52 1.337 1.542 6.472
344 HD1 TYR 52 HD2 TYR 52 3.905 2.166 6.684
345 HD2 TYR 52 HD1 TYR 52 1.710 2.136 3.039
346 HE1 TYR 52 HE2 TYR 52 5.550 3.698 5.687
347 HE2 TYR 52 HE1 TYR 52 3.350 3.667 2.031
348 HH TYR 52 HH TYR 52 5.081 5.506 3.152
349 H LEU 53 H LEU 53 2.073 -0.200 8.362
350 HA LEU 53 HA LEU 53 4.740 0.674 8.911
351 HB2 LEU 53 1HB LEU 53 2.552 -0.348 10.713
352 HB3 LEU 53 2HB LEU 53 4.089 0.298 11.286
353 HG LEU 53 HG LEU 53 2.271 1.955 9.571
354 HD11 LEU 53 1HD1 LEU 53 0.732 2.103 11.156
355 HD12 LEU 53 2HD1 LEU 53 1.957 2.658 12.297
356 HD13 LEU 53 3HD1 LEU 53 1.614 0.935 12.140
357 HD21 LEU 53 3HD2 LEU 53 3.820 3.139 11.755
358 HD22 LEU 53 1HD2 LEU 53 3.660 3.640 10.072
359 HD23 LEU 53 2HD2 LEU 53 4.798 2.364 10.507
360 H LYS 54 H LYS 54 3.466 -2.300 8.122
361 HA LYS 54 HA LYS 54 5.590 -3.739 9.568
362 HB2 LYS 54 1HB LYS 54 4.248 -5.613 9.696
363 HB3 LYS 54 2HB LYS 54 3.052 -4.331 9.827
364 HG2 LYS 54 1HG LYS 54 2.644 -4.555 7.381
365 HG3 LYS 54 2HG LYS 54 3.717 -5.956 7.384
366 HD2 LYS 54 1HD LYS 54 1.364 -5.784 9.240
367 HD3 LYS 54 2HD LYS 54 1.185 -6.362 7.581
368 HE2 LYS 54 1HE LYS 54 3.143 -7.511 9.564
369 HE3 LYS 54 2HE LYS 54 1.526 -8.159 9.292
370 HZ1 LYS 54 3HZ LYS 54 3.052 -7.799 6.879
371 HZ2 LYS 54 1HZ LYS 54 2.161 -9.137 7.406
372 HZ3 LYS 54 2HZ LYS 54 3.745 -8.907 7.952
373 H THR 55 H THR 55 4.263 -2.957 6.465
374 HA THR 55 HA THR 55 5.938 -4.886 5.073
375 HB THR 55 HB THR 55 3.917 -2.867 4.107
376 HG1 THR 55 HG1 THR 55 3.855 -5.616 3.546
377 HG21 THR 55 3HG2 THR 55 4.306 -3.906 1.845
378 HG22 THR 55 1HG2 THR 55 5.780 -4.614 2.504
379 HG23 THR 55 2HG2 THR 55 5.604 -2.861 2.422
380 H TYR 56 H TYR 56 5.687 -1.393 5.532
381 HA TYR 56 HA TYR 56 7.965 -0.864 3.832
382 HB2 TYR 56 1HB TYR 56 6.267 0.905 5.595
383 HB3 TYR 56 2HB TYR 56 7.643 1.501 4.674
384 HD1 TYR 56 HD1 TYR 56 4.530 -0.501 4.135
385 HD2 TYR 56 HD2 TYR 56 7.222 2.412 2.598
386 HE1 TYR 56 HE1 TYR 56 3.077 -0.203 2.173
387 HE2 TYR 56 HE2 TYR 56 5.777 2.720 0.632
388 HH TYR 56 HH TYR 56 2.803 0.819 0.223
389 H ILE 57 H ILE 57 7.302 -0.014 7.233
390 HA ILE 57 HA ILE 57 9.980 0.443 7.918
391 HB ILE 57 HB ILE 57 7.729 -0.396 9.749
392 HG12 ILE 57 1HG1 ILE 57 7.208 1.620 8.420
393 HG13 ILE 57 2HG1 ILE 57 7.394 1.992 10.130
394 HG21 ILE 57 1HG2 ILE 57 10.465 0.721 10.242
395 HG22 ILE 57 2HG2 ILE 57 9.156 0.976 11.395
396 HG23 ILE 57 3HG2 ILE 57 9.674 -0.662 10.998
397 HD11 ILE 57 3HD1 ILE 57 9.349 2.531 7.915
398 HD12 ILE 57 1HD1 ILE 57 8.468 3.705 8.892
399 HD13 ILE 57 2HD1 ILE 57 9.730 2.716 9.626
400 H GLU 58 H GLU 58 7.940 -2.426 8.437
401 HA GLU 58 HA GLU 58 10.365 -3.951 9.099
402 HB2 GLU 58 1HB GLU 58 7.490 -4.753 9.564
403 HB3 GLU 58 2HB GLU 58 8.925 -5.564 10.174
404 HG2 GLU 58 1HG GLU 58 8.357 -2.718 10.893
405 HG3 GLU 58 2HG GLU 58 7.579 -4.045 11.754
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -16.687 -17.209 16.225
2 HA2 GLY 1 1HA GLY 1 -18.845 -15.918 16.703
3 HA3 GLY 1 2HA GLY 1 -17.836 -14.503 16.444
4 H SER 2 H SER 2 -19.522 -14.074 14.793
5 HA SER 2 HA SER 2 -19.105 -15.624 12.330
6 HB2 SER 2 1HB SER 2 -21.381 -13.933 13.327
7 HB3 SER 2 2HB SER 2 -21.201 -14.264 11.604
8 HG SER 2 HG SER 2 -21.011 -16.570 12.420
9 H SER 3 H SER 3 -17.377 -14.741 11.332
10 HA SER 3 HA SER 3 -17.563 -11.889 10.636
11 HB2 SER 3 1HB SER 3 -15.059 -11.789 10.767
12 HB3 SER 3 2HB SER 3 -15.847 -12.035 12.325
13 HG SER 3 HG SER 3 -14.025 -13.435 11.931
14 H GLY 4 H GLY 4 -16.124 -11.348 8.729
15 HA2 GLY 4 1HA GLY 4 -16.405 -13.504 6.742
16 HA3 GLY 4 2HA GLY 4 -16.390 -11.785 6.379
17 H SER 5 H SER 5 -14.602 -14.576 6.300
18 HA SER 5 HA SER 5 -12.094 -13.045 6.086
19 HB2 SER 5 1HB SER 5 -12.663 -15.597 7.521
20 HB3 SER 5 2HB SER 5 -11.101 -15.435 6.719
21 HG SER 5 HG SER 5 -10.678 -13.626 7.959
22 H SER 6 H SER 6 -13.786 -13.450 3.928
23 HA SER 6 HA SER 6 -13.549 -15.654 2.353
24 HB2 SER 6 1HB SER 6 -13.254 -12.825 1.320
25 HB3 SER 6 2HB SER 6 -13.852 -14.222 0.426
26 HG SER 6 HG SER 6 -15.076 -12.879 2.596
27 H GLY 7 H GLY 7 -11.244 -12.926 2.329
28 HA2 GLY 7 1HA GLY 7 -9.269 -14.736 1.096
29 HA3 GLY 7 2HA GLY 7 -9.250 -12.984 0.960
30 H PHE 8 H PHE 8 -7.825 -15.564 2.443
31 HA PHE 8 HA PHE 8 -6.888 -13.893 4.682
32 HB2 PHE 8 1HB PHE 8 -6.365 -16.131 5.798
33 HB3 PHE 8 2HB PHE 8 -8.064 -15.689 5.673
34 HD1 PHE 8 HD2 PHE 8 -9.489 -16.765 3.946
35 HD2 PHE 8 HD1 PHE 8 -5.514 -18.061 4.739
36 HE1 PHE 8 HE2 PHE 8 -9.961 -18.895 2.809
37 HE2 PHE 8 HE1 PHE 8 -5.978 -20.193 3.602
38 HZ PHE 8 HZ PHE 8 -8.205 -20.613 2.636
39 H ASP 9 H ASP 9 -5.219 -13.047 3.343
40 HA ASP 9 HA ASP 9 -2.939 -14.875 3.105
41 HB2 ASP 9 1HB ASP 9 -3.851 -12.969 0.939
42 HB3 ASP 9 2HB ASP 9 -2.344 -13.881 0.916
43 H GLU 10 H GLU 10 -0.917 -13.920 3.371
44 HA GLU 10 HA GLU 10 -1.004 -11.253 4.588
45 HB2 GLU 10 1HB GLU 10 0.982 -11.826 5.762
46 HB3 GLU 10 2HB GLU 10 -0.085 -13.217 5.877
47 HG2 GLU 10 1HG GLU 10 1.201 -14.104 3.834
48 HG3 GLU 10 2HG GLU 10 2.405 -12.887 4.255
49 H ASN 11 H ASN 11 -1.089 -11.455 1.765
50 HA ASN 11 HA ASN 11 1.391 -10.040 1.119
51 HB2 ASN 11 1HB ASN 11 1.249 -11.240 -1.181
52 HB3 ASN 11 2HB ASN 11 1.960 -12.100 0.181
53 HD21 ASN 11 1HD2 ASN 11 -0.608 -11.970 -2.086
54 HD22 ASN 11 2HD2 ASN 11 -1.391 -13.437 -1.619
55 H TRP 12 H TRP 12 1.026 -8.194 0.067
56 HA TRP 12 HA TRP 12 -1.695 -7.623 -0.820
57 HB2 TRP 12 1HB TRP 12 0.685 -5.953 -0.106
58 HB3 TRP 12 2HB TRP 12 -0.572 -5.265 -1.131
59 HD1 TRP 12 HD1 TRP 12 -0.989 -7.500 2.015
60 HE1 TRP 12 HE1 TRP 12 -2.488 -6.240 3.685
61 HE3 TRP 12 HE3 TRP 12 -1.583 -3.128 -0.567
62 HZ2 TRP 12 HZ2 TRP 12 -3.755 -3.726 3.882
63 HZ3 TRP 12 HZ3 TRP 12 -2.955 -1.346 0.432
64 HH2 TRP 12 HH2 TRP 12 -4.018 -1.641 2.610
65 H GLY 13 H GLY 13 -2.238 -7.007 -2.894
66 HA2 GLY 13 1HA GLY 13 -0.395 -7.896 -4.960
67 HA3 GLY 13 2HA GLY 13 -2.083 -7.464 -5.183
68 H ALA 14 H ALA 14 0.425 -6.665 -6.615
69 HA ALA 14 HA ALA 14 1.420 -4.215 -6.259
70 HB1 ALA 14 3HB ALA 14 0.912 -3.930 -8.861
71 HB2 ALA 14 1HB ALA 14 2.131 -5.045 -8.245
72 HB3 ALA 14 2HB ALA 14 0.534 -5.644 -8.694
73 H ASP 15 H ASP 15 -1.910 -4.900 -7.125
74 HA ASP 15 HA ASP 15 -2.673 -2.241 -7.732
75 HB2 ASP 15 1HB ASP 15 -4.340 -4.579 -6.779
76 HB3 ASP 15 2HB ASP 15 -4.990 -3.073 -7.421
77 H GLU 16 H GLU 16 -3.725 -4.144 -4.908
78 HA GLU 16 HA GLU 16 -4.559 -1.969 -3.386
79 HB2 GLU 16 1HB GLU 16 -4.432 -3.494 -1.448
80 HB3 GLU 16 2HB GLU 16 -5.216 -4.238 -2.835
81 HG2 GLU 16 1HG GLU 16 -3.112 -5.394 -3.373
82 HG3 GLU 16 2HG GLU 16 -2.381 -4.692 -1.931
83 H GLU 17 H GLU 17 -1.404 -2.989 -4.146
84 HA GLU 17 HA GLU 17 -0.150 -1.815 -1.816
85 HB2 GLU 17 1HB GLU 17 0.978 -2.996 -4.356
86 HB3 GLU 17 2HB GLU 17 1.972 -2.339 -3.063
87 HG2 GLU 17 1HG GLU 17 0.913 -3.984 -1.516
88 HG3 GLU 17 2HG GLU 17 0.128 -4.708 -2.919
89 H LEU 18 H LEU 18 -0.142 -1.153 -5.319
90 HA LEU 18 HA LEU 18 1.322 1.195 -5.289
91 HB2 LEU 18 1HB LEU 18 0.964 0.515 -7.420
92 HB3 LEU 18 2HB LEU 18 -0.683 -0.016 -7.088
93 HG LEU 18 HG LEU 18 -1.254 2.494 -7.016
94 HD11 LEU 18 1HD1 LEU 18 0.495 3.859 -7.190
95 HD12 LEU 18 2HD1 LEU 18 0.550 3.406 -8.893
96 HD13 LEU 18 3HD1 LEU 18 1.561 2.559 -7.723
97 HD21 LEU 18 3HD2 LEU 18 -1.494 0.622 -8.924
98 HD22 LEU 18 1HD2 LEU 18 -0.471 1.782 -9.772
99 HD23 LEU 18 2HD2 LEU 18 -2.032 2.290 -9.128
100 H LEU 19 H LEU 19 -2.168 0.750 -4.858
101 HA LEU 19 HA LEU 19 -2.954 3.409 -4.781
102 HB2 LEU 19 1HB LEU 19 -4.020 1.033 -3.270
103 HB3 LEU 19 2HB LEU 19 -4.821 2.602 -3.324
104 HG LEU 19 HG LEU 19 -4.251 0.938 -5.771
105 HD11 LEU 19 1HD1 LEU 19 -6.814 0.600 -5.598
106 HD12 LEU 19 2HD1 LEU 19 -6.569 0.934 -3.884
107 HD13 LEU 19 3HD1 LEU 19 -5.740 -0.424 -4.645
108 HD21 LEU 19 3HD2 LEU 19 -6.269 3.135 -5.414
109 HD22 LEU 19 1HD2 LEU 19 -5.671 2.423 -6.912
110 HD23 LEU 19 2HD2 LEU 19 -4.615 3.450 -5.942
111 H LEU 20 H LEU 20 -2.070 1.328 -2.023
112 HA LEU 20 HA LEU 20 -2.336 2.959 0.092
113 HB2 LEU 20 1HB LEU 20 -1.353 0.673 0.107
114 HB3 LEU 20 2HB LEU 20 0.173 1.372 -0.430
115 HG LEU 20 HG LEU 20 0.365 2.610 1.653
116 HD11 LEU 20 1HD1 LEU 20 -1.472 3.123 2.785
117 HD12 LEU 20 2HD1 LEU 20 -1.554 1.443 3.313
118 HD13 LEU 20 3HD1 LEU 20 -2.428 1.957 1.870
119 HD21 LEU 20 3HD2 LEU 20 -0.019 -0.346 1.706
120 HD22 LEU 20 1HD2 LEU 20 0.293 0.508 3.217
121 HD23 LEU 20 2HD2 LEU 20 1.455 0.605 1.893
122 H ILE 21 H ILE 21 0.588 2.953 -1.952
123 HA ILE 21 HA ILE 21 1.848 5.130 -0.733
124 HB ILE 21 HB ILE 21 2.063 4.313 -3.633
125 HG12 ILE 21 1HG1 ILE 21 4.220 3.206 -2.558
126 HG13 ILE 21 2HG1 ILE 21 3.216 3.199 -1.112
127 HG21 ILE 21 1HG2 ILE 21 4.429 5.364 -2.299
128 HG22 ILE 21 2HG2 ILE 21 3.729 5.782 -3.862
129 HG23 ILE 21 3HG2 ILE 21 3.107 6.528 -2.390
130 HD11 ILE 21 3HD1 ILE 21 2.181 1.383 -1.815
131 HD12 ILE 21 1HD1 ILE 21 1.690 2.201 -3.299
132 HD13 ILE 21 2HD1 ILE 21 3.235 1.351 -3.229
133 H ASP 22 H ASP 22 0.085 5.128 -3.839
134 HA ASP 22 HA ASP 22 0.069 7.759 -4.453
135 HB2 ASP 22 1HB ASP 22 -1.140 5.752 -5.590
136 HB3 ASP 22 2HB ASP 22 -2.523 6.252 -4.620
137 H ALA 23 H ALA 23 -2.157 6.195 -2.170
138 HA ALA 23 HA ALA 23 -3.513 8.614 -1.496
139 HB1 ALA 23 3HB ALA 23 -3.467 5.854 -0.333
140 HB2 ALA 23 1HB ALA 23 -4.309 7.172 0.482
141 HB3 ALA 23 2HB ALA 23 -4.783 6.696 -1.149
142 H CYS 24 H CYS 24 -0.869 6.766 -0.057
143 HA CYS 24 HA CYS 24 -0.618 8.026 2.381
144 HB2 CYS 24 1HB CYS 24 0.814 6.219 2.101
145 HB3 CYS 24 2HB CYS 24 1.355 6.761 0.517
146 HG CYS 24 HG CYS 24 3.271 8.397 1.315
147 H GLU 25 H GLU 25 0.609 9.070 -0.768
148 HA GLU 25 HA GLU 25 1.690 11.510 0.405
149 HB2 GLU 25 1HB GLU 25 1.767 10.402 -2.404
150 HB3 GLU 25 2HB GLU 25 2.450 11.957 -1.952
151 HG2 GLU 25 1HG GLU 25 3.273 9.401 -0.617
152 HG3 GLU 25 2HG GLU 25 4.039 9.989 -2.091
153 H THR 26 H THR 26 -0.990 10.410 -1.534
154 HA THR 26 HA THR 26 -1.821 13.027 -2.368
155 HB THR 26 HB THR 26 -3.170 10.332 -2.457
156 HG1 THR 26 HG1 THR 26 -2.962 10.999 -4.807
157 HG21 THR 26 3HG2 THR 26 -4.237 12.985 -3.429
158 HG22 THR 26 1HG2 THR 26 -4.918 11.989 -2.143
159 HG23 THR 26 2HG2 THR 26 -4.933 11.410 -3.809
160 H LEU 27 H LEU 27 -3.593 10.641 -0.399
161 HA LEU 27 HA LEU 27 -5.188 12.664 0.830
162 HB2 LEU 27 1HB LEU 27 -4.824 9.787 1.652
163 HB3 LEU 27 2HB LEU 27 -6.135 10.860 2.140
164 HG LEU 27 HG LEU 27 -5.642 9.890 -0.675
165 HD11 LEU 27 1HD1 LEU 27 -7.681 8.546 -0.297
166 HD12 LEU 27 2HD1 LEU 27 -7.637 9.007 1.404
167 HD13 LEU 27 3HD1 LEU 27 -6.326 8.048 0.716
168 HD21 LEU 27 3HD2 LEU 27 -7.888 11.487 0.550
169 HD22 LEU 27 1HD2 LEU 27 -7.903 10.804 -1.076
170 HD23 LEU 27 2HD2 LEU 27 -6.725 12.046 -0.653
171 H GLY 28 H GLY 28 -2.466 10.658 1.900
172 HA2 GLY 28 1HA GLY 28 -0.795 11.576 3.366
173 HA3 GLY 28 2HA GLY 28 -2.041 12.582 4.089
174 H LEU 29 H LEU 29 -0.159 9.913 4.556
175 HA LEU 29 HA LEU 29 -1.715 7.968 5.703
176 HB2 LEU 29 1HB LEU 29 0.981 8.991 6.571
177 HB3 LEU 29 2HB LEU 29 0.243 7.518 7.198
178 HG LEU 29 HG LEU 29 0.981 7.992 4.310
179 HD11 LEU 29 1HD1 LEU 29 2.349 6.076 6.152
180 HD12 LEU 29 2HD1 LEU 29 2.846 7.766 6.089
181 HD13 LEU 29 3HD1 LEU 29 2.918 6.772 4.634
182 HD21 LEU 29 3HD2 LEU 29 -0.409 6.293 3.937
183 HD22 LEU 29 1HD2 LEU 29 -0.627 5.997 5.662
184 HD23 LEU 29 2HD2 LEU 29 0.739 5.278 4.810
185 H GLY 30 H GLY 30 -1.145 11.168 6.843
186 HA2 GLY 30 1HA GLY 30 -1.432 11.063 9.552
187 HA3 GLY 30 2HA GLY 30 -2.162 12.318 8.563
188 H ASN 31 H ASN 31 -3.965 10.559 7.159
189 HA ASN 31 HA ASN 31 -5.742 9.708 9.345
190 HB2 ASN 31 1HB ASN 31 -6.314 11.972 8.248
191 HB3 ASN 31 2HB ASN 31 -6.790 11.019 6.845
192 HD21 ASN 31 1HD2 ASN 31 -7.566 11.957 10.067
193 HD22 ASN 31 2HD2 ASN 31 -9.133 11.231 10.131
194 H TRP 32 H TRP 32 -5.238 7.540 9.002
195 HA TRP 32 HA TRP 32 -5.194 6.245 6.518
196 HB2 TRP 32 1HB TRP 32 -5.773 5.190 9.290
197 HB3 TRP 32 2HB TRP 32 -5.585 4.156 7.877
198 HD1 TRP 32 HD1 TRP 32 -3.600 6.100 10.431
199 HE1 TRP 32 HE1 TRP 32 -1.087 5.693 10.050
200 HE3 TRP 32 HE3 TRP 32 -3.841 3.692 5.927
201 HZ2 TRP 32 HZ2 TRP 32 0.573 4.508 8.098
202 HZ3 TRP 32 HZ3 TRP 32 -1.745 2.955 4.870
203 HH2 TRP 32 HH2 TRP 32 0.415 3.356 5.934
204 H ALA 33 H ALA 33 -7.834 6.915 8.748
205 HA ALA 33 HA ALA 33 -9.856 5.324 7.919
206 HB1 ALA 33 3HB ALA 33 -10.790 6.686 9.419
207 HB2 ALA 33 1HB ALA 33 -9.685 8.006 9.033
208 HB3 ALA 33 2HB ALA 33 -11.137 7.758 8.062
209 H ASP 34 H ASP 34 -8.639 8.169 6.208
210 HA ASP 34 HA ASP 34 -10.592 7.991 4.112
211 HB2 ASP 34 1HB ASP 34 -9.147 10.042 4.966
212 HB3 ASP 34 2HB ASP 34 -8.022 9.464 3.740
213 H ILE 35 H ILE 35 -7.185 7.105 4.479
214 HA ILE 35 HA ILE 35 -6.674 6.307 1.857
215 HB ILE 35 HB ILE 35 -5.526 5.202 4.422
216 HG12 ILE 35 1HG1 ILE 35 -4.186 7.116 2.532
217 HG13 ILE 35 2HG1 ILE 35 -5.285 7.705 3.774
218 HG21 ILE 35 1HG2 ILE 35 -5.245 4.273 1.750
219 HG22 ILE 35 2HG2 ILE 35 -3.716 4.989 2.254
220 HG23 ILE 35 3HG2 ILE 35 -4.440 3.696 3.209
221 HD11 ILE 35 3HD1 ILE 35 -2.545 7.034 4.001
222 HD12 ILE 35 1HD1 ILE 35 -3.636 7.658 5.238
223 HD13 ILE 35 2HD1 ILE 35 -3.470 5.918 5.004
224 H ALA 36 H ALA 36 -8.100 4.531 4.554
225 HA ALA 36 HA ALA 36 -8.120 1.965 3.529
226 HB1 ALA 36 3HB ALA 36 -10.423 3.135 5.068
227 HB2 ALA 36 1HB ALA 36 -9.846 1.468 5.062
228 HB3 ALA 36 2HB ALA 36 -8.877 2.734 5.816
229 H ASP 37 H ASP 37 -10.428 4.592 2.953
230 HA ASP 37 HA ASP 37 -12.139 3.020 1.289
231 HB2 ASP 37 1HB ASP 37 -12.826 5.084 2.579
232 HB3 ASP 37 2HB ASP 37 -11.959 6.034 1.375
233 H TYR 38 H TYR 38 -9.188 4.673 0.807
234 HA TYR 38 HA TYR 38 -9.561 4.988 -2.057
235 HB2 TYR 38 1HB TYR 38 -8.316 6.687 -0.746
236 HB3 TYR 38 2HB TYR 38 -7.097 5.474 -0.370
237 HD1 TYR 38 HD1 TYR 38 -5.746 4.487 -2.257
238 HD2 TYR 38 HD2 TYR 38 -8.251 7.886 -2.777
239 HE1 TYR 38 HE1 TYR 38 -4.537 5.054 -4.322
240 HE2 TYR 38 HE2 TYR 38 -7.050 8.461 -4.845
241 HH TYR 38 HH TYR 38 -4.243 6.589 -5.922
242 H VAL 39 H VAL 39 -7.960 2.849 0.198
243 HA VAL 39 HA VAL 39 -6.603 1.411 -1.943
244 HB VAL 39 HB VAL 39 -6.631 0.881 1.032
245 HG11 VAL 39 1HG1 VAL 39 -6.006 -0.896 -0.941
246 HG12 VAL 39 2HG1 VAL 39 -4.434 -0.175 -0.590
247 HG13 VAL 39 3HG1 VAL 39 -5.364 -0.939 0.701
248 HG21 VAL 39 3HG2 VAL 39 -5.577 3.043 0.207
249 HG22 VAL 39 1HG2 VAL 39 -4.550 1.976 1.165
250 HG23 VAL 39 2HG2 VAL 39 -4.374 2.029 -0.589
251 H GLY 40 H GLY 40 -8.547 0.309 0.841
252 HA2 GLY 40 1HA GLY 40 -10.223 -1.259 0.983
253 HA3 GLY 40 2HA GLY 40 -10.483 -1.032 -0.741
254 H ASN 41 H ASN 41 -10.400 -2.913 -1.759
255 HA ASN 41 HA ASN 41 -9.801 -5.023 -2.368
256 HB2 ASN 41 1HB ASN 41 -7.019 -4.509 -1.377
257 HB3 ASN 41 2HB ASN 41 -7.546 -5.344 -2.835
258 HD21 ASN 41 1HD2 ASN 41 -6.104 -2.637 -1.738
259 HD22 ASN 41 2HD2 ASN 41 -6.452 -1.560 -3.043
260 H ALA 42 H ALA 42 -11.069 -5.138 -0.052
261 HA ALA 42 HA ALA 42 -11.462 -6.507 1.725
262 HB1 ALA 42 3HB ALA 42 -10.815 -8.607 1.384
263 HB2 ALA 42 1HB ALA 42 -9.870 -8.015 0.018
264 HB3 ALA 42 2HB ALA 42 -9.116 -8.190 1.603
265 H ARG 43 H ARG 43 -9.682 -4.123 1.866
266 HA ARG 43 HA ARG 43 -8.274 -4.823 4.359
267 HB2 ARG 43 1HB ARG 43 -7.480 -2.581 2.503
268 HB3 ARG 43 2HB ARG 43 -6.573 -3.225 3.866
269 HG2 ARG 43 1HG ARG 43 -7.195 -4.761 1.353
270 HG3 ARG 43 2HG ARG 43 -5.682 -3.909 1.666
271 HD2 ARG 43 1HD ARG 43 -5.104 -5.358 3.422
272 HD3 ARG 43 2HD ARG 43 -6.745 -5.992 3.548
273 HE ARG 43 HE ARG 43 -5.593 -6.532 0.999
274 HH11 ARG 43 1HH1 ARG 43 -5.644 -7.574 4.320
275 HH12 ARG 43 2HH1 ARG 43 -5.207 -9.209 3.950
276 HH21 ARG 43 1HH2 ARG 43 -5.018 -8.682 0.499
277 HH22 ARG 43 2HH2 ARG 43 -4.850 -9.838 1.776
278 H THR 44 H THR 44 -7.735 -2.506 5.476
279 HA THR 44 HA THR 44 -9.808 -0.558 5.326
280 HB THR 44 HB THR 44 -11.194 -2.154 6.435
281 HG1 THR 44 HG1 THR 44 -10.172 -0.483 8.499
282 HG21 THR 44 3HG2 THR 44 -10.394 -3.764 7.750
283 HG22 THR 44 1HG2 THR 44 -9.777 -2.574 8.896
284 HG23 THR 44 2HG2 THR 44 -8.779 -3.090 7.536
285 H LYS 45 H LYS 45 -9.550 1.152 6.920
286 HA LYS 45 HA LYS 45 -7.071 2.148 7.232
287 HB2 LYS 45 1HB LYS 45 -7.905 3.444 9.171
288 HB3 LYS 45 2HB LYS 45 -9.035 3.434 7.824
289 HG2 LYS 45 1HG LYS 45 -10.116 1.437 9.082
290 HG3 LYS 45 2HG LYS 45 -9.238 2.076 10.474
291 HD2 LYS 45 1HD LYS 45 -10.400 4.115 10.407
292 HD3 LYS 45 2HD LYS 45 -10.984 3.827 8.767
293 HE2 LYS 45 1HE LYS 45 -12.507 2.169 9.505
294 HE3 LYS 45 2HE LYS 45 -11.763 2.096 11.102
295 HZ1 LYS 45 3HZ LYS 45 -12.896 4.645 10.197
296 HZ2 LYS 45 1HZ LYS 45 -12.772 4.017 11.763
297 HZ3 LYS 45 2HZ LYS 45 -13.956 3.429 10.707
298 H GLU 46 H GLU 46 -8.687 0.081 9.638
299 HA GLU 46 HA GLU 46 -6.675 0.004 11.543
300 HB2 GLU 46 1HB GLU 46 -8.765 -2.005 10.739
301 HB3 GLU 46 2HB GLU 46 -7.631 -2.338 12.041
302 HG2 GLU 46 1HG GLU 46 -9.754 -0.230 11.905
303 HG3 GLU 46 2HG GLU 46 -9.549 -1.518 13.092
304 H GLU 47 H GLU 47 -7.086 -1.970 8.638
305 HA GLU 47 HA GLU 47 -4.691 -3.498 9.192
306 HB2 GLU 47 1HB GLU 47 -6.746 -3.506 7.007
307 HB3 GLU 47 2HB GLU 47 -5.217 -4.345 6.783
308 HG2 GLU 47 1HG GLU 47 -5.654 -5.836 8.545
309 HG3 GLU 47 2HG GLU 47 -6.981 -4.849 9.156
310 H CYS 48 H CYS 48 -5.708 -1.582 6.358
311 HA CYS 48 HA CYS 48 -3.445 -1.315 4.971
312 HB2 CYS 48 1HB CYS 48 -5.339 0.931 5.683
313 HB3 CYS 48 2HB CYS 48 -4.125 1.033 4.414
314 HG CYS 48 HG CYS 48 -6.380 0.619 2.997
315 H ARG 49 H ARG 49 -4.108 0.334 8.014
316 HA ARG 49 HA ARG 49 -1.893 2.045 8.053
317 HB2 ARG 49 1HB ARG 49 -3.693 2.344 9.626
318 HB3 ARG 49 2HB ARG 49 -3.417 0.749 10.315
319 HG2 ARG 49 1HG ARG 49 -1.459 1.419 11.389
320 HG3 ARG 49 2HG ARG 49 -1.293 2.859 10.382
321 HD2 ARG 49 1HD ARG 49 -3.519 3.596 11.437
322 HD3 ARG 49 2HD ARG 49 -3.199 2.349 12.641
323 HE ARG 49 HE ARG 49 -1.028 4.201 12.217
324 HH11 ARG 49 1HH1 ARG 49 -3.922 3.495 14.017
325 HH12 ARG 49 2HH1 ARG 49 -3.489 4.499 15.360
326 HH21 ARG 49 1HH2 ARG 49 -0.446 5.528 13.979
327 HH22 ARG 49 2HH2 ARG 49 -1.511 5.656 15.337
328 H ASP 50 H ASP 50 -2.183 -0.837 10.120
329 HA ASP 50 HA ASP 50 0.505 -1.089 10.717
330 HB2 ASP 50 1HB ASP 50 -1.719 -3.115 10.590
331 HB3 ASP 50 2HB ASP 50 -0.088 -3.571 11.072
332 H HIS 51 H HIS 51 -1.307 -2.471 8.012
333 HA HIS 51 HA HIS 51 0.498 -4.200 6.919
334 HB2 HIS 51 1HB HIS 51 -1.573 -4.046 5.826
335 HB3 HIS 51 2HB HIS 51 -1.444 -2.300 5.633
336 HD1 HIS 51 HD1 HIS 51 0.334 -5.412 4.351
337 HD2 HIS 51 HD2 HIS 51 -0.672 -1.564 3.149
338 HE1 HIS 51 HE1 HIS 51 1.081 -5.239 1.956
339 HE2 HIS 51 HE2 HIS 51 0.539 -2.874 1.277
340 H TYR 52 H TYR 52 0.520 -0.680 6.700
341 HA TYR 52 HA TYR 52 2.776 -0.604 4.923
342 HB2 TYR 52 1HB TYR 52 1.002 1.174 5.042
343 HB3 TYR 52 2HB TYR 52 1.661 1.647 6.604
344 HD1 TYR 52 HD2 TYR 52 4.305 2.072 6.550
345 HD2 TYR 52 HD1 TYR 52 1.706 2.353 3.193
346 HE1 TYR 52 HE2 TYR 52 5.926 3.540 5.425
347 HE2 TYR 52 HE1 TYR 52 3.321 3.821 2.058
348 HH TYR 52 HH TYR 52 6.290 4.881 3.673
349 H LEU 53 H LEU 53 2.247 -0.274 8.389
350 HA LEU 53 HA LEU 53 4.995 0.414 8.926
351 HB2 LEU 53 1HB LEU 53 2.724 -0.350 10.754
352 HB3 LEU 53 2HB LEU 53 4.315 0.173 11.302
353 HG LEU 53 HG LEU 53 2.547 1.909 9.594
354 HD11 LEU 53 1HD1 LEU 53 1.530 2.834 11.445
355 HD12 LEU 53 2HD1 LEU 53 2.756 2.225 12.557
356 HD13 LEU 53 3HD1 LEU 53 1.565 1.122 11.867
357 HD21 LEU 53 3HD2 LEU 53 4.018 3.606 10.059
358 HD22 LEU 53 1HD2 LEU 53 5.118 2.228 10.009
359 HD23 LEU 53 2HD2 LEU 53 4.573 2.864 11.561
360 H LYS 54 H LYS 54 3.361 -2.428 8.244
361 HA LYS 54 HA LYS 54 5.343 -4.057 9.691
362 HB2 LYS 54 1HB LYS 54 3.807 -5.803 9.811
363 HB3 LYS 54 2HB LYS 54 2.796 -4.383 10.042
364 HG2 LYS 54 1HG LYS 54 1.530 -5.490 8.522
365 HG3 LYS 54 2HG LYS 54 2.557 -4.576 7.414
366 HD2 LYS 54 1HD LYS 54 2.762 -6.670 6.512
367 HD3 LYS 54 2HD LYS 54 4.109 -6.697 7.652
368 HE2 LYS 54 1HE LYS 54 2.794 -8.754 7.774
369 HE3 LYS 54 2HE LYS 54 2.716 -7.850 9.286
370 HZ1 LYS 54 3HZ LYS 54 0.631 -7.662 7.188
371 HZ2 LYS 54 1HZ LYS 54 0.547 -7.110 8.785
372 HZ3 LYS 54 2HZ LYS 54 0.555 -8.770 8.464
373 H THR 55 H THR 55 4.227 -3.076 6.601
374 HA THR 55 HA THR 55 5.591 -5.260 5.225
375 HB THR 55 HB THR 55 3.937 -2.965 4.160
376 HG1 THR 55 HG1 THR 55 2.726 -5.045 3.497
377 HG21 THR 55 3HG2 THR 55 4.074 -4.160 1.989
378 HG22 THR 55 1HG2 THR 55 5.278 -5.239 2.693
379 HG23 THR 55 2HG2 THR 55 5.627 -3.519 2.523
380 H TYR 56 H TYR 56 5.661 -1.700 5.306
381 HA TYR 56 HA TYR 56 8.046 -1.535 3.738
382 HB2 TYR 56 1HB TYR 56 6.500 0.472 5.371
383 HB3 TYR 56 2HB TYR 56 7.999 0.890 4.550
384 HD1 TYR 56 HD1 TYR 56 4.631 -0.571 3.896
385 HD2 TYR 56 HD2 TYR 56 7.934 1.615 2.342
386 HE1 TYR 56 HE1 TYR 56 3.371 -0.149 1.826
387 HE2 TYR 56 HE2 TYR 56 6.683 2.044 0.268
388 HH TYR 56 HH TYR 56 4.794 1.719 -0.843
389 H ILE 57 H ILE 57 7.439 -0.543 7.113
390 HA ILE 57 HA ILE 57 10.152 -0.343 7.812
391 HB ILE 57 HB ILE 57 7.820 -0.886 9.654
392 HG12 ILE 57 1HG1 ILE 57 7.542 1.122 8.191
393 HG13 ILE 57 2HG1 ILE 57 7.630 1.506 9.907
394 HG21 ILE 57 1HG2 ILE 57 9.927 -1.302 10.747
395 HG22 ILE 57 2HG2 ILE 57 10.567 0.238 10.177
396 HG23 ILE 57 3HG2 ILE 57 9.250 0.211 11.349
397 HD11 ILE 57 3HD1 ILE 57 9.107 2.647 7.866
398 HD12 ILE 57 1HD1 ILE 57 9.393 2.809 9.598
399 HD13 ILE 57 2HD1 ILE 57 10.239 1.566 8.677
400 H GLU 58 H GLU 58 7.818 -2.851 8.823
401 HA GLU 58 HA GLU 58 10.079 -4.670 9.267
402 HB2 GLU 58 1HB GLU 58 8.426 -4.214 11.124
403 HB3 GLU 58 2HB GLU 58 7.219 -5.048 10.156
404 HG2 GLU 58 1HG GLU 58 7.899 -6.771 11.459
405 HG3 GLU 58 2HG GLU 58 9.054 -6.944 10.139
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -0.431 -15.614 -8.498
2 HA2 GLY 1 1HA GLY 1 0.224 -14.192 -6.027
3 HA3 GLY 1 2HA GLY 1 -1.059 -15.390 -5.951
4 H SER 2 H SER 2 1.260 -15.565 -4.412
5 HA SER 2 HA SER 2 2.364 -18.068 -5.452
6 HB2 SER 2 1HB SER 2 4.081 -15.853 -4.306
7 HB3 SER 2 2HB SER 2 4.645 -17.431 -4.855
8 HG SER 2 HG SER 2 4.684 -16.678 -6.807
9 H SER 3 H SER 3 3.789 -19.102 -3.653
10 HA SER 3 HA SER 3 2.237 -18.938 -1.162
11 HB2 SER 3 1HB SER 3 3.155 -21.224 -0.715
12 HB3 SER 3 2HB SER 3 2.164 -21.133 -2.171
13 HG SER 3 HG SER 3 4.906 -21.536 -1.900
14 H GLY 4 H GLY 4 3.153 -18.107 0.593
15 HA2 GLY 4 1HA GLY 4 6.075 -17.736 0.589
16 HA3 GLY 4 2HA GLY 4 4.930 -16.763 1.501
17 H SER 5 H SER 5 6.823 -17.444 3.048
18 HA SER 5 HA SER 5 6.591 -20.080 4.173
19 HB2 SER 5 1HB SER 5 8.222 -19.255 5.842
20 HB3 SER 5 2HB SER 5 8.748 -18.932 4.190
21 HG SER 5 HG SER 5 7.487 -16.813 4.727
22 H SER 6 H SER 6 6.410 -20.169 6.686
23 HA SER 6 HA SER 6 3.769 -19.556 7.372
24 HB2 SER 6 1HB SER 6 6.165 -20.517 8.871
25 HB3 SER 6 2HB SER 6 4.776 -19.952 9.798
26 HG SER 6 HG SER 6 3.655 -21.637 9.168
27 H GLY 7 H GLY 7 2.985 -17.556 7.542
28 HA2 GLY 7 1HA GLY 7 3.117 -15.792 9.456
29 HA3 GLY 7 2HA GLY 7 4.671 -15.455 8.708
30 H PHE 8 H PHE 8 3.398 -13.300 8.689
31 HA PHE 8 HA PHE 8 2.023 -13.105 6.090
32 HB2 PHE 8 1HB PHE 8 1.494 -11.386 8.522
33 HB3 PHE 8 2HB PHE 8 0.644 -11.315 6.982
34 HD1 PHE 8 HD2 PHE 8 -0.796 -13.228 6.290
35 HD2 PHE 8 HD1 PHE 8 0.886 -12.934 10.189
36 HE1 PHE 8 HE2 PHE 8 -2.429 -14.873 7.114
37 HE2 PHE 8 HE1 PHE 8 -0.744 -14.580 11.019
38 HZ PHE 8 HZ PHE 8 -2.405 -15.550 9.482
39 H ASP 9 H ASP 9 3.833 -12.519 4.927
40 HA ASP 9 HA ASP 9 5.064 -9.948 5.681
41 HB2 ASP 9 1HB ASP 9 6.637 -11.863 5.783
42 HB3 ASP 9 2HB ASP 9 6.321 -12.187 4.080
43 H GLU 10 H GLU 10 4.452 -8.341 4.407
44 HA GLU 10 HA GLU 10 3.360 -7.316 2.640
45 HB2 GLU 10 1HB GLU 10 5.602 -8.630 1.107
46 HB3 GLU 10 2HB GLU 10 4.828 -7.088 0.768
47 HG2 GLU 10 1HG GLU 10 5.826 -6.073 2.668
48 HG3 GLU 10 2HG GLU 10 6.402 -7.627 3.269
49 H ASN 11 H ASN 11 1.836 -9.431 3.075
50 HA ASN 11 HA ASN 11 1.634 -11.087 0.707
51 HB2 ASN 11 1HB ASN 11 -0.394 -10.998 2.926
52 HB3 ASN 11 2HB ASN 11 0.035 -12.348 1.880
53 HD21 ASN 11 1HD2 ASN 11 1.485 -13.771 2.575
54 HD22 ASN 11 2HD2 ASN 11 2.454 -13.595 3.995
55 H TRP 12 H TRP 12 1.364 -8.457 0.002
56 HA TRP 12 HA TRP 12 -1.525 -8.149 -0.484
57 HB2 TRP 12 1HB TRP 12 0.694 -6.136 -0.219
58 HB3 TRP 12 2HB TRP 12 -0.801 -5.729 -1.057
59 HD1 TRP 12 HD1 TRP 12 -0.574 -7.811 2.188
60 HE1 TRP 12 HE1 TRP 12 -1.878 -6.570 4.028
61 HE3 TRP 12 HE3 TRP 12 -1.730 -3.541 -0.375
62 HZ2 TRP 12 HZ2 TRP 12 -3.219 -4.108 4.350
63 HZ3 TRP 12 HZ3 TRP 12 -3.027 -1.792 0.771
64 HH2 TRP 12 HH2 TRP 12 -3.755 -2.072 3.085
65 H GLY 13 H GLY 13 -1.711 -6.583 -2.589
66 HA2 GLY 13 1HA GLY 13 -0.282 -8.059 -4.711
67 HA3 GLY 13 2HA GLY 13 -1.914 -7.427 -4.874
68 H ALA 14 H ALA 14 -0.259 -6.789 -6.841
69 HA ALA 14 HA ALA 14 1.314 -4.472 -6.459
70 HB1 ALA 14 3HB ALA 14 1.879 -5.518 -8.407
71 HB2 ALA 14 1HB ALA 14 0.209 -5.919 -8.808
72 HB3 ALA 14 2HB ALA 14 0.802 -4.275 -9.043
73 H ASP 15 H ASP 15 -2.080 -4.967 -7.222
74 HA ASP 15 HA ASP 15 -2.673 -2.291 -7.933
75 HB2 ASP 15 1HB ASP 15 -4.068 -4.435 -8.321
76 HB3 ASP 15 2HB ASP 15 -4.668 -4.166 -6.687
77 H GLU 16 H GLU 16 -3.683 -4.021 -4.980
78 HA GLU 16 HA GLU 16 -4.426 -1.772 -3.531
79 HB2 GLU 16 1HB GLU 16 -4.169 -3.194 -1.519
80 HB3 GLU 16 2HB GLU 16 -5.053 -3.993 -2.811
81 HG2 GLU 16 1HG GLU 16 -3.052 -5.240 -3.424
82 HG3 GLU 16 2HG GLU 16 -2.151 -4.429 -2.145
83 H GLU 17 H GLU 17 -1.289 -2.964 -4.281
84 HA GLU 17 HA GLU 17 0.074 -1.634 -2.126
85 HB2 GLU 17 1HB GLU 17 0.927 -3.121 -4.583
86 HB3 GLU 17 2HB GLU 17 2.096 -2.135 -3.715
87 HG2 GLU 17 1HG GLU 17 0.455 -4.151 -2.248
88 HG3 GLU 17 2HG GLU 17 1.873 -4.654 -3.165
89 H LEU 18 H LEU 18 -0.685 -0.942 -5.486
90 HA LEU 18 HA LEU 18 0.969 1.358 -5.716
91 HB2 LEU 18 1HB LEU 18 0.432 0.632 -7.790
92 HB3 LEU 18 2HB LEU 18 -1.164 0.069 -7.297
93 HG LEU 18 HG LEU 18 -1.760 2.590 -7.212
94 HD11 LEU 18 1HD1 LEU 18 0.942 2.736 -8.032
95 HD12 LEU 18 2HD1 LEU 18 -0.217 4.050 -7.835
96 HD13 LEU 18 3HD1 LEU 18 -0.057 3.243 -9.395
97 HD21 LEU 18 3HD2 LEU 18 -2.786 2.310 -9.210
98 HD22 LEU 18 1HD2 LEU 18 -2.236 0.648 -8.993
99 HD23 LEU 18 2HD2 LEU 18 -1.317 1.755 -10.013
100 H LEU 19 H LEU 19 -2.362 0.826 -4.722
101 HA LEU 19 HA LEU 19 -3.104 3.570 -4.657
102 HB2 LEU 19 1HB LEU 19 -4.258 1.156 -3.271
103 HB3 LEU 19 2HB LEU 19 -4.994 2.757 -3.248
104 HG LEU 19 HG LEU 19 -4.474 1.274 -5.812
105 HD11 LEU 19 1HD1 LEU 19 -7.033 0.841 -5.585
106 HD12 LEU 19 2HD1 LEU 19 -6.710 0.977 -3.857
107 HD13 LEU 19 3HD1 LEU 19 -5.881 -0.250 -4.815
108 HD21 LEU 19 3HD2 LEU 19 -4.885 3.580 -6.164
109 HD22 LEU 19 1HD2 LEU 19 -6.210 3.594 -5.000
110 HD23 LEU 19 2HD2 LEU 19 -6.393 2.742 -6.533
111 H LEU 20 H LEU 20 -2.255 1.269 -2.068
112 HA LEU 20 HA LEU 20 -2.422 2.817 0.145
113 HB2 LEU 20 1HB LEU 20 -1.717 0.515 0.243
114 HB3 LEU 20 2HB LEU 20 -0.207 0.906 -0.576
115 HG LEU 20 HG LEU 20 0.513 2.198 1.378
116 HD11 LEU 20 1HD1 LEU 20 -2.097 1.274 2.566
117 HD12 LEU 20 2HD1 LEU 20 -1.615 2.935 2.227
118 HD13 LEU 20 3HD1 LEU 20 -0.780 2.013 3.477
119 HD21 LEU 20 3HD2 LEU 20 0.132 -0.020 2.975
120 HD22 LEU 20 1HD2 LEU 20 1.449 0.226 1.829
121 HD23 LEU 20 2HD2 LEU 20 0.007 -0.663 1.337
122 H ILE 21 H ILE 21 0.254 2.832 -2.179
123 HA ILE 21 HA ILE 21 1.787 4.781 -0.775
124 HB ILE 21 HB ILE 21 1.915 3.913 -3.665
125 HG12 ILE 21 1HG1 ILE 21 3.759 3.192 -1.384
126 HG13 ILE 21 2HG1 ILE 21 2.383 2.199 -1.853
127 HG21 ILE 21 1HG2 ILE 21 4.362 4.992 -2.611
128 HG22 ILE 21 2HG2 ILE 21 3.453 5.469 -4.045
129 HG23 ILE 21 3HG2 ILE 21 3.058 6.172 -2.476
130 HD11 ILE 21 3HD1 ILE 21 3.357 1.556 -3.833
131 HD12 ILE 21 1HD1 ILE 21 4.420 2.962 -3.891
132 HD13 ILE 21 2HD1 ILE 21 4.749 1.653 -2.755
133 H ASP 22 H ASP 22 -0.018 4.997 -3.848
134 HA ASP 22 HA ASP 22 0.184 7.659 -4.366
135 HB2 ASP 22 1HB ASP 22 -1.095 5.833 -5.657
136 HB3 ASP 22 2HB ASP 22 -2.469 6.262 -4.641
137 H ALA 23 H ALA 23 -2.088 6.132 -2.119
138 HA ALA 23 HA ALA 23 -3.395 8.560 -1.398
139 HB1 ALA 23 3HB ALA 23 -3.347 5.800 -0.227
140 HB2 ALA 23 1HB ALA 23 -4.184 7.127 0.577
141 HB3 ALA 23 2HB ALA 23 -4.666 6.635 -1.046
142 H CYS 24 H CYS 24 -0.810 6.625 0.064
143 HA CYS 24 HA CYS 24 -0.496 7.947 2.462
144 HB2 CYS 24 1HB CYS 24 0.835 6.055 2.241
145 HB3 CYS 24 2HB CYS 24 1.412 6.522 0.646
146 HG CYS 24 HG CYS 24 3.634 7.500 1.457
147 H GLU 25 H GLU 25 0.740 8.841 -0.724
148 HA GLU 25 HA GLU 25 1.988 11.238 0.370
149 HB2 GLU 25 1HB GLU 25 1.940 10.061 -2.411
150 HB3 GLU 25 2HB GLU 25 2.717 11.588 -2.015
151 HG2 GLU 25 1HG GLU 25 4.146 10.370 -0.388
152 HG3 GLU 25 2HG GLU 25 3.438 8.863 -0.967
153 H THR 26 H THR 26 -0.822 10.252 -1.418
154 HA THR 26 HA THR 26 -1.509 12.903 -2.307
155 HB THR 26 HB THR 26 -3.013 10.289 -2.333
156 HG1 THR 26 HG1 THR 26 -1.266 10.724 -3.870
157 HG21 THR 26 3HG2 THR 26 -4.752 11.414 -3.630
158 HG22 THR 26 1HG2 THR 26 -3.931 12.958 -3.411
159 HG23 THR 26 2HG2 THR 26 -4.619 12.120 -2.020
160 H LEU 27 H LEU 27 -3.390 10.643 -0.292
161 HA LEU 27 HA LEU 27 -4.822 12.779 0.955
162 HB2 LEU 27 1HB LEU 27 -4.667 9.862 1.701
163 HB3 LEU 27 2HB LEU 27 -5.848 11.021 2.309
164 HG LEU 27 HG LEU 27 -5.603 10.072 -0.546
165 HD11 LEU 27 1HD1 LEU 27 -7.591 8.837 -0.170
166 HD12 LEU 27 2HD1 LEU 27 -7.816 9.553 1.425
167 HD13 LEU 27 3HD1 LEU 27 -6.485 8.430 1.142
168 HD21 LEU 27 3HD2 LEU 27 -7.800 11.272 -0.776
169 HD22 LEU 27 1HD2 LEU 27 -6.390 12.313 -0.580
170 HD23 LEU 27 2HD2 LEU 27 -7.469 12.025 0.785
171 H GLY 28 H GLY 28 -2.231 10.584 1.969
172 HA2 GLY 28 1HA GLY 28 -0.485 11.350 3.425
173 HA3 GLY 28 2HA GLY 28 -1.636 12.456 4.160
174 H LEU 29 H LEU 29 -0.001 9.598 4.563
175 HA LEU 29 HA LEU 29 -1.638 7.770 5.717
176 HB2 LEU 29 1HB LEU 29 1.064 8.697 6.668
177 HB3 LEU 29 2HB LEU 29 0.250 7.262 7.289
178 HG LEU 29 HG LEU 29 1.000 7.633 4.393
179 HD11 LEU 29 1HD1 LEU 29 2.482 5.882 6.313
180 HD12 LEU 29 2HD1 LEU 29 2.917 7.580 6.124
181 HD13 LEU 29 3HD1 LEU 29 2.987 6.493 4.737
182 HD21 LEU 29 3HD2 LEU 29 -0.683 5.809 5.698
183 HD22 LEU 29 1HD2 LEU 29 0.806 4.933 5.346
184 HD23 LEU 29 2HD2 LEU 29 -0.079 5.726 4.042
185 H GLY 30 H GLY 30 -0.873 10.926 6.937
186 HA2 GLY 30 1HA GLY 30 -1.308 10.834 9.610
187 HA3 GLY 30 2HA GLY 30 -1.934 12.130 8.601
188 H ASN 31 H ASN 31 -3.779 10.501 7.120
189 HA ASN 31 HA ASN 31 -5.692 9.774 9.239
190 HB2 ASN 31 1HB ASN 31 -6.026 12.013 7.882
191 HB3 ASN 31 2HB ASN 31 -6.660 10.923 6.652
192 HD21 ASN 31 1HD2 ASN 31 -8.593 12.273 7.112
193 HD22 ASN 31 2HD2 ASN 31 -9.657 11.744 8.366
194 H TRP 32 H TRP 32 -5.250 7.573 9.008
195 HA TRP 32 HA TRP 32 -5.174 6.185 6.567
196 HB2 TRP 32 1HB TRP 32 -5.754 5.299 9.390
197 HB3 TRP 32 2HB TRP 32 -5.719 4.168 8.040
198 HD1 TRP 32 HD1 TRP 32 -3.481 5.951 10.454
199 HE1 TRP 32 HE1 TRP 32 -1.023 5.377 9.953
200 HE3 TRP 32 HE3 TRP 32 -4.091 3.649 5.930
201 HZ2 TRP 32 HZ2 TRP 32 0.461 4.115 7.910
202 HZ3 TRP 32 HZ3 TRP 32 -2.101 2.787 4.768
203 HH2 TRP 32 HH2 TRP 32 0.127 3.017 5.739
204 H ALA 33 H ALA 33 -7.833 6.966 8.747
205 HA ALA 33 HA ALA 33 -9.870 5.397 7.889
206 HB1 ALA 33 3HB ALA 33 -10.617 6.804 9.499
207 HB2 ALA 33 1HB ALA 33 -9.727 8.186 8.860
208 HB3 ALA 33 2HB ALA 33 -11.238 7.683 8.102
209 H ASP 34 H ASP 34 -8.664 8.300 6.250
210 HA ASP 34 HA ASP 34 -10.570 8.149 4.123
211 HB2 ASP 34 1HB ASP 34 -9.190 10.195 4.990
212 HB3 ASP 34 2HB ASP 34 -7.958 9.602 3.880
213 H ILE 35 H ILE 35 -7.245 7.085 4.589
214 HA ILE 35 HA ILE 35 -6.677 6.362 1.937
215 HB ILE 35 HB ILE 35 -5.614 5.195 4.511
216 HG12 ILE 35 1HG1 ILE 35 -4.349 7.188 2.622
217 HG13 ILE 35 2HG1 ILE 35 -5.225 7.643 4.080
218 HG21 ILE 35 1HG2 ILE 35 -5.367 3.685 2.547
219 HG22 ILE 35 2HG2 ILE 35 -4.441 4.954 1.747
220 HG23 ILE 35 3HG2 ILE 35 -3.834 4.224 3.233
221 HD11 ILE 35 3HD1 ILE 35 -3.090 5.667 4.469
222 HD12 ILE 35 1HD1 ILE 35 -2.561 7.269 3.956
223 HD13 ILE 35 2HD1 ILE 35 -3.522 7.085 5.424
224 H ALA 36 H ALA 36 -8.070 4.496 4.612
225 HA ALA 36 HA ALA 36 -8.178 1.981 3.550
226 HB1 ALA 36 3HB ALA 36 -10.323 3.369 5.152
227 HB2 ALA 36 1HB ALA 36 -10.216 1.627 4.891
228 HB3 ALA 36 2HB ALA 36 -8.949 2.464 5.790
229 H ASP 37 H ASP 37 -10.492 4.615 2.971
230 HA ASP 37 HA ASP 37 -12.163 3.116 1.236
231 HB2 ASP 37 1HB ASP 37 -12.706 5.293 2.495
232 HB3 ASP 37 2HB ASP 37 -11.889 6.114 1.168
233 H TYR 38 H TYR 38 -9.142 4.675 0.813
234 HA TYR 38 HA TYR 38 -9.409 4.957 -2.059
235 HB2 TYR 38 1HB TYR 38 -8.083 6.542 -0.589
236 HB3 TYR 38 2HB TYR 38 -6.893 5.257 -0.417
237 HD1 TYR 38 HD1 TYR 38 -5.650 4.456 -2.427
238 HD2 TYR 38 HD2 TYR 38 -8.182 7.873 -2.556
239 HE1 TYR 38 HE1 TYR 38 -4.567 5.173 -4.516
240 HE2 TYR 38 HE2 TYR 38 -7.107 8.598 -4.645
241 HH TYR 38 HH TYR 38 -5.839 7.495 -6.543
242 H VAL 39 H VAL 39 -7.800 2.837 0.251
243 HA VAL 39 HA VAL 39 -6.480 1.303 -1.806
244 HB VAL 39 HB VAL 39 -6.795 0.710 1.140
245 HG11 VAL 39 1HG1 VAL 39 -5.066 -0.919 0.869
246 HG12 VAL 39 2HG1 VAL 39 -6.319 -1.258 -0.326
247 HG13 VAL 39 3HG1 VAL 39 -4.824 -0.460 -0.816
248 HG21 VAL 39 3HG2 VAL 39 -4.428 1.874 -0.322
249 HG22 VAL 39 1HG2 VAL 39 -5.584 2.816 0.619
250 HG23 VAL 39 2HG2 VAL 39 -4.579 1.604 1.414
251 H GLY 40 H GLY 40 -8.649 0.192 0.796
252 HA2 GLY 40 1HA GLY 40 -10.463 -1.229 0.734
253 HA3 GLY 40 2HA GLY 40 -10.517 -1.000 -1.007
254 H ASN 41 H ASN 41 -10.420 -2.886 -2.014
255 HA ASN 41 HA ASN 41 -9.931 -5.063 -2.491
256 HB2 ASN 41 1HB ASN 41 -7.169 -4.578 -1.418
257 HB3 ASN 41 2HB ASN 41 -7.663 -5.497 -2.837
258 HD21 ASN 41 1HD2 ASN 41 -6.321 -2.669 -1.785
259 HD22 ASN 41 2HD2 ASN 41 -6.549 -1.707 -3.201
260 H ALA 42 H ALA 42 -11.180 -4.836 -0.053
261 HA ALA 42 HA ALA 42 -11.709 -6.174 1.721
262 HB1 ALA 42 3HB ALA 42 -10.320 -7.873 0.086
263 HB2 ALA 42 1HB ALA 42 -9.414 -7.975 1.595
264 HB3 ALA 42 2HB ALA 42 -11.141 -8.333 1.577
265 H ARG 43 H ARG 43 -9.757 -3.912 1.771
266 HA ARG 43 HA ARG 43 -8.406 -4.603 4.298
267 HB2 ARG 43 1HB ARG 43 -7.509 -2.462 2.371
268 HB3 ARG 43 2HB ARG 43 -6.634 -3.094 3.760
269 HG2 ARG 43 1HG ARG 43 -7.333 -4.725 1.330
270 HG3 ARG 43 2HG ARG 43 -5.797 -3.886 1.555
271 HD2 ARG 43 1HD ARG 43 -5.319 -5.198 3.522
272 HD3 ARG 43 2HD ARG 43 -6.908 -5.959 3.441
273 HE ARG 43 HE ARG 43 -5.314 -6.345 1.080
274 HH11 ARG 43 1HH1 ARG 43 -6.056 -7.539 4.264
275 HH12 ARG 43 2HH1 ARG 43 -5.537 -9.156 3.921
276 HH21 ARG 43 1HH2 ARG 43 -4.627 -8.470 0.615
277 HH22 ARG 43 2HH2 ARG 43 -4.723 -9.684 1.846
278 H THR 44 H THR 44 -7.867 -2.472 5.544
279 HA THR 44 HA THR 44 -9.875 -0.404 5.293
280 HB THR 44 HB THR 44 -10.780 -0.663 7.548
281 HG1 THR 44 HG1 THR 44 -10.103 -2.230 8.886
282 HG21 THR 44 3HG2 THR 44 -12.080 -2.753 7.188
283 HG22 THR 44 1HG2 THR 44 -11.011 -3.144 5.842
284 HG23 THR 44 2HG2 THR 44 -12.031 -1.707 5.769
285 H LYS 45 H LYS 45 -9.673 0.940 7.566
286 HA LYS 45 HA LYS 45 -7.121 2.125 7.451
287 HB2 LYS 45 1HB LYS 45 -7.869 3.387 9.469
288 HB3 LYS 45 2HB LYS 45 -9.015 3.436 8.136
289 HG2 LYS 45 1HG LYS 45 -10.421 1.813 9.212
290 HG3 LYS 45 2HG LYS 45 -9.231 1.576 10.494
291 HD2 LYS 45 1HD LYS 45 -9.559 3.818 11.291
292 HD3 LYS 45 2HD LYS 45 -10.595 4.203 9.914
293 HE2 LYS 45 1HE LYS 45 -12.128 3.798 11.602
294 HE3 LYS 45 2HE LYS 45 -12.052 2.244 10.772
295 HZ1 LYS 45 3HZ LYS 45 -11.179 1.252 12.557
296 HZ2 LYS 45 1HZ LYS 45 -11.747 2.589 13.424
297 HZ3 LYS 45 2HZ LYS 45 -10.137 2.537 12.908
298 H GLU 46 H GLU 46 -8.571 -0.158 9.730
299 HA GLU 46 HA GLU 46 -6.408 -0.175 11.559
300 HB2 GLU 46 1HB GLU 46 -8.556 -2.233 11.022
301 HB3 GLU 46 2HB GLU 46 -7.431 -2.304 12.371
302 HG2 GLU 46 1HG GLU 46 -9.184 0.083 11.944
303 HG3 GLU 46 2HG GLU 46 -9.776 -1.355 12.775
304 H GLU 47 H GLU 47 -7.134 -2.004 8.652
305 HA GLU 47 HA GLU 47 -4.901 -3.805 9.039
306 HB2 GLU 47 1HB GLU 47 -6.997 -3.468 6.917
307 HB3 GLU 47 2HB GLU 47 -5.582 -4.467 6.618
308 HG2 GLU 47 1HG GLU 47 -7.023 -6.046 7.387
309 HG3 GLU 47 2HG GLU 47 -6.275 -5.557 8.906
310 H CYS 48 H CYS 48 -5.786 -1.652 6.335
311 HA CYS 48 HA CYS 48 -3.430 -1.572 4.992
312 HB2 CYS 48 1HB CYS 48 -5.326 0.723 5.514
313 HB3 CYS 48 2HB CYS 48 -4.039 0.767 4.316
314 HG CYS 48 HG CYS 48 -7.069 -0.214 3.898
315 H ARG 49 H ARG 49 -4.234 0.229 7.916
316 HA ARG 49 HA ARG 49 -2.020 1.918 8.025
317 HB2 ARG 49 1HB ARG 49 -3.790 2.325 9.544
318 HB3 ARG 49 2HB ARG 49 -3.726 0.687 10.180
319 HG2 ARG 49 1HG ARG 49 -1.809 1.116 11.430
320 HG3 ARG 49 2HG ARG 49 -1.410 2.557 10.493
321 HD2 ARG 49 1HD ARG 49 -3.166 3.798 11.485
322 HD3 ARG 49 2HD ARG 49 -3.888 2.350 12.184
323 HE ARG 49 HE ARG 49 -1.844 3.944 13.330
324 HH11 ARG 49 1HH1 ARG 49 -2.901 0.644 12.994
325 HH12 ARG 49 2HH1 ARG 49 -2.164 0.120 14.472
326 HH21 ARG 49 1HH2 ARG 49 -0.869 3.267 15.278
327 HH22 ARG 49 2HH2 ARG 49 -1.009 1.613 15.771
328 H ASP 50 H ASP 50 -2.379 -0.935 10.123
329 HA ASP 50 HA ASP 50 0.292 -1.159 10.822
330 HB2 ASP 50 1HB ASP 50 -1.907 -3.214 10.661
331 HB3 ASP 50 2HB ASP 50 -0.296 -3.617 11.248
332 H HIS 51 H HIS 51 -1.383 -2.343 7.984
333 HA HIS 51 HA HIS 51 0.474 -4.177 7.026
334 HB2 HIS 51 1HB HIS 51 -1.558 -4.132 5.871
335 HB3 HIS 51 2HB HIS 51 -1.521 -2.382 5.679
336 HD1 HIS 51 HD1 HIS 51 0.641 -5.296 4.502
337 HD2 HIS 51 HD2 HIS 51 -0.938 -1.702 3.140
338 HE1 HIS 51 HE1 HIS 51 1.372 -5.106 2.103
339 HE2 HIS 51 HE2 HIS 51 0.477 -2.884 1.325
340 H TYR 52 H TYR 52 0.405 -0.664 6.752
341 HA TYR 52 HA TYR 52 2.715 -0.578 5.030
342 HB2 TYR 52 1HB TYR 52 0.904 1.129 4.935
343 HB3 TYR 52 2HB TYR 52 1.380 1.679 6.537
344 HD1 TYR 52 HD2 TYR 52 3.909 2.363 6.774
345 HD2 TYR 52 HD1 TYR 52 1.808 2.174 3.079
346 HE1 TYR 52 HE2 TYR 52 5.557 3.885 5.766
347 HE2 TYR 52 HE1 TYR 52 3.451 3.695 2.060
348 HH TYR 52 HH TYR 52 5.388 4.765 2.335
349 H LEU 53 H LEU 53 2.016 -0.051 8.446
350 HA LEU 53 HA LEU 53 4.637 0.855 9.115
351 HB2 LEU 53 1HB LEU 53 2.422 -0.263 10.826
352 HB3 LEU 53 2HB LEU 53 3.907 0.449 11.454
353 HG LEU 53 HG LEU 53 2.062 2.024 9.688
354 HD11 LEU 53 1HD1 LEU 53 1.432 2.899 12.160
355 HD12 LEU 53 2HD1 LEU 53 1.633 1.175 12.472
356 HD13 LEU 53 3HD1 LEU 53 0.479 1.722 11.257
357 HD21 LEU 53 3HD2 LEU 53 4.280 2.609 11.612
358 HD22 LEU 53 1HD2 LEU 53 3.071 3.836 11.233
359 HD23 LEU 53 2HD2 LEU 53 4.069 3.156 9.948
360 H LYS 54 H LYS 54 3.458 -2.146 8.255
361 HA LYS 54 HA LYS 54 5.582 -3.542 9.744
362 HB2 LYS 54 1HB LYS 54 4.292 -5.473 9.787
363 HB3 LYS 54 2HB LYS 54 3.083 -4.212 9.989
364 HG2 LYS 54 1HG LYS 54 2.391 -4.398 7.723
365 HG3 LYS 54 2HG LYS 54 3.757 -5.446 7.331
366 HD2 LYS 54 1HD LYS 54 1.891 -6.311 9.480
367 HD3 LYS 54 2HD LYS 54 1.344 -6.424 7.806
368 HE2 LYS 54 1HE LYS 54 4.010 -7.514 8.631
369 HE3 LYS 54 2HE LYS 54 2.538 -8.453 8.874
370 HZ1 LYS 54 3HZ LYS 54 2.305 -8.822 6.679
371 HZ2 LYS 54 1HZ LYS 54 3.973 -8.543 6.647
372 HZ3 LYS 54 2HZ LYS 54 2.900 -7.304 6.229
373 H THR 55 H THR 55 4.167 -2.958 6.597
374 HA THR 55 HA THR 55 5.920 -4.794 5.230
375 HB THR 55 HB THR 55 4.021 -2.687 4.190
376 HG1 THR 55 HG1 THR 55 3.069 -4.840 3.429
377 HG21 THR 55 3HG2 THR 55 4.590 -4.509 2.153
378 HG22 THR 55 1HG2 THR 55 6.158 -4.094 2.845
379 HG23 THR 55 2HG2 THR 55 5.097 -2.822 2.239
380 H TYR 56 H TYR 56 5.634 -1.265 5.520
381 HA TYR 56 HA TYR 56 8.001 -0.789 3.963
382 HB2 TYR 56 1HB TYR 56 6.258 1.014 5.645
383 HB3 TYR 56 2HB TYR 56 7.674 1.589 4.771
384 HD1 TYR 56 HD1 TYR 56 4.743 -0.604 3.980
385 HD2 TYR 56 HD2 TYR 56 7.165 2.698 2.824
386 HE1 TYR 56 HE1 TYR 56 3.370 -0.312 1.960
387 HE2 TYR 56 HE2 TYR 56 5.798 3.000 0.802
388 HH TYR 56 HH TYR 56 4.282 1.393 -0.651
389 H ILE 57 H ILE 57 7.230 0.100 7.331
390 HA ILE 57 HA ILE 57 9.855 0.590 8.126
391 HB ILE 57 HB ILE 57 7.554 -0.362 9.836
392 HG12 ILE 57 1HG1 ILE 57 6.778 1.635 8.965
393 HG13 ILE 57 2HG1 ILE 57 7.637 2.209 10.390
394 HG21 ILE 57 1HG2 ILE 57 8.825 -0.126 11.660
395 HG22 ILE 57 2HG2 ILE 57 10.192 -0.227 10.552
396 HG23 ILE 57 3HG2 ILE 57 9.580 1.348 11.055
397 HD11 ILE 57 3HD1 ILE 57 9.610 2.632 8.914
398 HD12 ILE 57 1HD1 ILE 57 8.571 2.272 7.536
399 HD13 ILE 57 2HD1 ILE 57 8.199 3.638 8.588
400 H GLU 58 H GLU 58 7.896 -2.331 8.732
401 HA GLU 58 HA GLU 58 10.340 -3.789 9.408
402 HB2 GLU 58 1HB GLU 58 7.413 -4.339 9.813
403 HB3 GLU 58 2HB GLU 58 8.604 -5.621 9.974
404 HG2 GLU 58 1HG GLU 58 8.371 -3.111 11.605
405 HG3 GLU 58 2HG GLU 58 8.172 -4.778 12.143
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -4.178 -11.646 -16.434
2 HA2 GLY 1 1HA GLY 1 -3.516 -12.854 -14.480
3 HA3 GLY 1 2HA GLY 1 -3.194 -14.252 -15.495
4 H SER 2 H SER 2 -1.212 -14.487 -16.461
5 HA SER 2 HA SER 2 0.714 -12.404 -16.627
6 HB2 SER 2 1HB SER 2 2.250 -13.032 -14.922
7 HB3 SER 2 2HB SER 2 0.674 -12.937 -14.136
8 HG SER 2 HG SER 2 2.319 -15.091 -14.504
9 H SER 3 H SER 3 2.802 -13.181 -17.439
10 HA SER 3 HA SER 3 2.411 -15.347 -19.294
11 HB2 SER 3 1HB SER 3 3.608 -13.298 -19.963
12 HB3 SER 3 2HB SER 3 4.865 -13.648 -18.776
13 HG SER 3 HG SER 3 5.661 -14.513 -20.588
14 H GLY 4 H GLY 4 4.559 -14.708 -16.537
15 HA2 GLY 4 1HA GLY 4 4.573 -17.221 -15.452
16 HA3 GLY 4 2HA GLY 4 5.819 -17.282 -16.690
17 H SER 5 H SER 5 4.767 -15.306 -13.925
18 HA SER 5 HA SER 5 7.441 -15.308 -12.854
19 HB2 SER 5 1HB SER 5 6.216 -12.670 -13.695
20 HB3 SER 5 2HB SER 5 7.755 -12.889 -12.863
21 HG SER 5 HG SER 5 7.096 -13.295 -15.528
22 H SER 6 H SER 6 7.524 -13.966 -10.796
23 HA SER 6 HA SER 6 4.890 -13.934 -9.481
24 HB2 SER 6 1HB SER 6 5.833 -14.899 -7.485
25 HB3 SER 6 2HB SER 6 6.263 -15.940 -8.843
26 HG SER 6 HG SER 6 8.109 -13.987 -8.406
27 H GLY 7 H GLY 7 5.097 -12.752 -7.270
28 HA2 GLY 7 1HA GLY 7 6.474 -10.212 -7.828
29 HA3 GLY 7 2HA GLY 7 5.086 -10.409 -6.768
30 H PHE 8 H PHE 8 6.499 -9.097 -5.332
31 HA PHE 8 HA PHE 8 8.514 -10.749 -3.967
32 HB2 PHE 8 1HB PHE 8 9.085 -8.411 -2.930
33 HB3 PHE 8 2HB PHE 8 9.636 -8.810 -4.554
34 HD1 PHE 8 HD2 PHE 8 8.178 -8.031 -6.511
35 HD2 PHE 8 HD1 PHE 8 7.819 -6.506 -2.554
36 HE1 PHE 8 HE2 PHE 8 7.044 -6.032 -7.388
37 HE2 PHE 8 HE1 PHE 8 6.684 -4.504 -3.424
38 HZ PHE 8 HZ PHE 8 6.296 -4.264 -5.844
39 H ASP 9 H ASP 9 5.617 -8.826 -3.519
40 HA ASP 9 HA ASP 9 5.557 -9.573 -0.677
41 HB2 ASP 9 1HB ASP 9 4.303 -7.344 -2.244
42 HB3 ASP 9 2HB ASP 9 3.591 -7.854 -0.716
43 H GLU 10 H GLU 10 4.739 -11.628 -0.720
44 HA GLU 10 HA GLU 10 2.518 -12.379 -2.353
45 HB2 GLU 10 1HB GLU 10 3.765 -13.762 0.029
46 HB3 GLU 10 2HB GLU 10 2.566 -14.480 -1.038
47 HG2 GLU 10 1HG GLU 10 5.181 -13.443 -2.069
48 HG3 GLU 10 2HG GLU 10 5.007 -15.076 -1.429
49 H ASN 11 H ASN 11 2.679 -10.461 0.314
50 HA ASN 11 HA ASN 11 0.300 -11.399 1.661
51 HB2 ASN 11 1HB ASN 11 2.334 -10.186 2.717
52 HB3 ASN 11 2HB ASN 11 1.579 -8.715 2.110
53 HD21 ASN 11 1HD2 ASN 11 0.612 -11.674 3.820
54 HD22 ASN 11 2HD2 ASN 11 -0.368 -10.874 4.997
55 H TRP 12 H TRP 12 1.163 -8.322 0.070
56 HA TRP 12 HA TRP 12 -1.690 -7.934 -0.530
57 HB2 TRP 12 1HB TRP 12 0.593 -6.021 -0.131
58 HB3 TRP 12 2HB TRP 12 -0.851 -5.523 -1.009
59 HD1 TRP 12 HD1 TRP 12 -0.829 -7.718 2.170
60 HE1 TRP 12 HE1 TRP 12 -2.152 -6.485 4.002
61 HE3 TRP 12 HE3 TRP 12 -1.720 -3.325 -0.289
62 HZ2 TRP 12 HZ2 TRP 12 -3.407 -3.982 4.358
63 HZ3 TRP 12 HZ3 TRP 12 -2.990 -1.563 0.868
64 HH2 TRP 12 HH2 TRP 12 -3.816 -1.887 3.143
65 H GLY 13 H GLY 13 -2.109 -6.705 -2.608
66 HA2 GLY 13 1HA GLY 13 -0.508 -7.959 -4.734
67 HA3 GLY 13 2HA GLY 13 -2.169 -7.410 -4.898
68 H ALA 14 H ALA 14 -0.094 -6.765 -6.697
69 HA ALA 14 HA ALA 14 1.237 -4.390 -6.354
70 HB1 ALA 14 3HB ALA 14 1.811 -5.056 -8.402
71 HB2 ALA 14 1HB ALA 14 0.307 -5.953 -8.618
72 HB3 ALA 14 2HB ALA 14 0.361 -4.225 -8.967
73 H ASP 15 H ASP 15 -2.163 -4.873 -7.168
74 HA ASP 15 HA ASP 15 -2.802 -2.194 -7.734
75 HB2 ASP 15 1HB ASP 15 -4.388 -4.595 -6.897
76 HB3 ASP 15 2HB ASP 15 -5.164 -3.015 -6.945
77 H GLU 16 H GLU 16 -3.832 -3.960 -4.816
78 HA GLU 16 HA GLU 16 -4.439 -1.702 -3.308
79 HB2 GLU 16 1HB GLU 16 -4.383 -3.172 -1.357
80 HB3 GLU 16 2HB GLU 16 -5.185 -3.959 -2.709
81 HG2 GLU 16 1HG GLU 16 -3.157 -5.227 -3.183
82 HG3 GLU 16 2HG GLU 16 -2.344 -4.434 -1.835
83 H GLU 17 H GLU 17 -1.405 -2.918 -4.220
84 HA GLU 17 HA GLU 17 0.046 -1.803 -1.975
85 HB2 GLU 17 1HB GLU 17 0.772 -3.324 -4.440
86 HB3 GLU 17 2HB GLU 17 2.018 -2.377 -3.640
87 HG2 GLU 17 1HG GLU 17 1.170 -3.635 -1.506
88 HG3 GLU 17 2HG GLU 17 0.570 -4.795 -2.690
89 H LEU 18 H LEU 18 -0.573 -1.020 -5.358
90 HA LEU 18 HA LEU 18 1.178 1.220 -5.457
91 HB2 LEU 18 1HB LEU 18 0.738 0.515 -7.567
92 HB3 LEU 18 2HB LEU 18 -0.915 0.042 -7.180
93 HG LEU 18 HG LEU 18 -1.403 2.569 -7.126
94 HD11 LEU 18 1HD1 LEU 18 1.362 2.489 -8.192
95 HD12 LEU 18 2HD1 LEU 18 0.558 3.715 -7.213
96 HD13 LEU 18 3HD1 LEU 18 0.226 3.610 -8.941
97 HD21 LEU 18 3HD2 LEU 18 -0.719 1.782 -9.891
98 HD22 LEU 18 1HD2 LEU 18 -2.238 2.375 -9.219
99 HD23 LEU 18 2HD2 LEU 18 -1.774 0.688 -8.994
100 H LEU 19 H LEU 19 -2.334 0.894 -5.025
101 HA LEU 19 HA LEU 19 -2.965 3.605 -4.873
102 HB2 LEU 19 1HB LEU 19 -4.239 1.220 -3.548
103 HB3 LEU 19 2HB LEU 19 -4.937 2.839 -3.525
104 HG LEU 19 HG LEU 19 -4.431 1.194 -6.005
105 HD11 LEU 19 1HD1 LEU 19 -6.191 0.152 -4.816
106 HD12 LEU 19 2HD1 LEU 19 -6.950 1.143 -6.062
107 HD13 LEU 19 3HD1 LEU 19 -6.917 1.702 -4.390
108 HD21 LEU 19 3HD2 LEU 19 -4.927 3.984 -5.607
109 HD22 LEU 19 1HD2 LEU 19 -6.303 3.250 -6.431
110 HD23 LEU 19 2HD2 LEU 19 -4.684 3.098 -7.114
111 H LEU 20 H LEU 20 -2.412 1.339 -2.171
112 HA LEU 20 HA LEU 20 -2.643 2.881 0.002
113 HB2 LEU 20 1HB LEU 20 -1.914 0.623 0.212
114 HB3 LEU 20 2HB LEU 20 -0.409 0.969 -0.638
115 HG LEU 20 HG LEU 20 0.306 2.363 1.278
116 HD11 LEU 20 1HD1 LEU 20 -1.682 3.088 2.277
117 HD12 LEU 20 2HD1 LEU 20 -0.998 1.943 3.430
118 HD13 LEU 20 3HD1 LEU 20 -2.330 1.451 2.385
119 HD21 LEU 20 3HD2 LEU 20 -0.001 0.105 2.875
120 HD22 LEU 20 1HD2 LEU 20 1.338 0.460 1.783
121 HD23 LEU 20 2HD2 LEU 20 -0.027 -0.505 1.219
122 H ILE 21 H ILE 21 0.369 2.763 -1.906
123 HA ILE 21 HA ILE 21 1.672 4.827 -0.510
124 HB ILE 21 HB ILE 21 2.097 3.967 -3.374
125 HG12 ILE 21 1HG1 ILE 21 3.684 3.103 -0.962
126 HG13 ILE 21 2HG1 ILE 21 2.275 2.206 -1.516
127 HG21 ILE 21 1HG2 ILE 21 3.158 6.147 -2.007
128 HG22 ILE 21 2HG2 ILE 21 4.424 4.922 -1.959
129 HG23 ILE 21 3HG2 ILE 21 3.758 5.440 -3.507
130 HD11 ILE 21 3HD1 ILE 21 4.527 2.831 -3.379
131 HD12 ILE 21 1HD1 ILE 21 4.601 1.452 -2.283
132 HD13 ILE 21 2HD1 ILE 21 3.314 1.556 -3.484
133 H ASP 22 H ASP 22 -0.013 4.902 -3.650
134 HA ASP 22 HA ASP 22 0.262 7.541 -4.306
135 HB2 ASP 22 1HB ASP 22 -1.851 5.508 -4.799
136 HB3 ASP 22 2HB ASP 22 -2.255 7.186 -5.150
137 H ALA 23 H ALA 23 -2.029 6.134 -2.018
138 HA ALA 23 HA ALA 23 -3.385 8.597 -1.493
139 HB1 ALA 23 3HB ALA 23 -3.670 6.745 0.665
140 HB2 ALA 23 1HB ALA 23 -4.856 7.238 -0.543
141 HB3 ALA 23 2HB ALA 23 -3.777 5.881 -0.868
142 H CYS 24 H CYS 24 -0.992 6.668 0.303
143 HA CYS 24 HA CYS 24 -0.717 8.117 2.588
144 HB2 CYS 24 1HB CYS 24 1.512 6.917 0.932
145 HB3 CYS 24 2HB CYS 24 1.667 7.416 2.612
146 HG CYS 24 HG CYS 24 -0.600 5.562 3.213
147 H GLU 25 H GLU 25 0.631 8.903 -0.580
148 HA GLU 25 HA GLU 25 1.823 11.348 0.469
149 HB2 GLU 25 1HB GLU 25 1.885 10.064 -2.263
150 HB3 GLU 25 2HB GLU 25 2.630 11.615 -1.904
151 HG2 GLU 25 1HG GLU 25 3.391 8.895 -0.920
152 HG3 GLU 25 2HG GLU 25 4.377 10.086 -1.766
153 H THR 26 H THR 26 -0.871 10.278 -1.474
154 HA THR 26 HA THR 26 -1.554 12.911 -2.414
155 HB THR 26 HB THR 26 -3.026 10.277 -2.514
156 HG1 THR 26 HG1 THR 26 -1.863 10.104 -4.264
157 HG21 THR 26 3HG2 THR 26 -3.856 12.935 -3.684
158 HG22 THR 26 1HG2 THR 26 -4.667 12.082 -2.372
159 HG23 THR 26 2HG2 THR 26 -4.642 11.387 -3.993
160 H LEU 27 H LEU 27 -3.516 10.620 -0.515
161 HA LEU 27 HA LEU 27 -5.080 12.721 0.620
162 HB2 LEU 27 1HB LEU 27 -4.882 9.831 1.453
163 HB3 LEU 27 2HB LEU 27 -6.155 10.962 1.907
164 HG LEU 27 HG LEU 27 -5.618 9.968 -0.891
165 HD11 LEU 27 1HD1 LEU 27 -8.170 9.240 0.124
166 HD12 LEU 27 2HD1 LEU 27 -6.942 8.723 1.278
167 HD13 LEU 27 3HD1 LEU 27 -6.850 8.195 -0.402
168 HD21 LEU 27 3HD2 LEU 27 -7.673 11.826 0.275
169 HD22 LEU 27 1HD2 LEU 27 -7.918 10.982 -1.254
170 HD23 LEU 27 2HD2 LEU 27 -6.574 12.111 -1.075
171 H GLY 28 H GLY 28 -2.542 10.573 1.867
172 HA2 GLY 28 1HA GLY 28 -0.896 11.541 3.386
173 HA3 GLY 28 2HA GLY 28 -2.205 12.464 4.110
174 H LEU 29 H LEU 29 -0.200 10.407 5.129
175 HA LEU 29 HA LEU 29 -1.716 8.134 5.932
176 HB2 LEU 29 1HB LEU 29 0.908 9.300 6.799
177 HB3 LEU 29 2HB LEU 29 0.209 7.902 7.613
178 HG LEU 29 HG LEU 29 0.666 7.871 4.651
179 HD11 LEU 29 1HD1 LEU 29 2.732 6.770 6.480
180 HD12 LEU 29 2HD1 LEU 29 2.743 8.502 6.148
181 HD13 LEU 29 3HD1 LEU 29 2.879 7.349 4.821
182 HD21 LEU 29 3HD2 LEU 29 -0.701 6.117 5.749
183 HD22 LEU 29 1HD2 LEU 29 0.700 5.689 6.732
184 HD23 LEU 29 2HD2 LEU 29 0.758 5.490 4.980
185 H GLY 30 H GLY 30 -1.090 11.290 7.315
186 HA2 GLY 30 1HA GLY 30 -1.606 11.148 9.931
187 HA3 GLY 30 2HA GLY 30 -2.361 12.381 8.932
188 H ASN 31 H ASN 31 -4.005 10.540 7.429
189 HA ASN 31 HA ASN 31 -5.824 9.567 9.528
190 HB2 ASN 31 1HB ASN 31 -6.438 11.825 8.379
191 HB3 ASN 31 2HB ASN 31 -6.885 10.811 7.010
192 HD21 ASN 31 1HD2 ASN 31 -8.794 12.317 8.119
193 HD22 ASN 31 2HD2 ASN 31 -9.902 11.346 9.021
194 H TRP 32 H TRP 32 -5.544 7.415 9.268
195 HA TRP 32 HA TRP 32 -5.147 6.122 6.789
196 HB2 TRP 32 1HB TRP 32 -5.963 5.127 9.515
197 HB3 TRP 32 2HB TRP 32 -5.795 4.041 8.138
198 HD1 TRP 32 HD1 TRP 32 -3.831 5.557 10.878
199 HE1 TRP 32 HE1 TRP 32 -1.318 5.115 10.539
200 HE3 TRP 32 HE3 TRP 32 -3.942 3.912 6.039
201 HZ2 TRP 32 HZ2 TRP 32 0.391 4.191 8.490
202 HZ3 TRP 32 HZ3 TRP 32 -1.825 3.268 4.963
203 HH2 TRP 32 HH2 TRP 32 0.296 3.407 6.165
204 H ALA 33 H ALA 33 -8.017 6.877 8.663
205 HA ALA 33 HA ALA 33 -9.940 5.269 7.611
206 HB1 ALA 33 3HB ALA 33 -11.223 7.701 7.632
207 HB2 ALA 33 1HB ALA 33 -11.027 6.621 9.013
208 HB3 ALA 33 2HB ALA 33 -9.887 7.943 8.758
209 H ASP 34 H ASP 34 -8.530 8.130 6.083
210 HA ASP 34 HA ASP 34 -10.232 8.043 3.792
211 HB2 ASP 34 1HB ASP 34 -7.712 9.521 4.489
212 HB3 ASP 34 2HB ASP 34 -8.352 9.571 2.848
213 H ILE 35 H ILE 35 -6.882 7.044 4.417
214 HA ILE 35 HA ILE 35 -6.240 6.161 1.854
215 HB ILE 35 HB ILE 35 -5.281 5.079 4.505
216 HG12 ILE 35 1HG1 ILE 35 -3.932 7.031 2.633
217 HG13 ILE 35 2HG1 ILE 35 -4.901 7.527 4.017
218 HG21 ILE 35 1HG2 ILE 35 -4.159 3.529 3.386
219 HG22 ILE 35 2HG2 ILE 35 -4.860 4.099 1.872
220 HG23 ILE 35 3HG2 ILE 35 -3.346 4.789 2.457
221 HD11 ILE 35 3HD1 ILE 35 -3.336 6.838 5.530
222 HD12 ILE 35 1HD1 ILE 35 -2.663 5.620 4.448
223 HD13 ILE 35 2HD1 ILE 35 -2.301 7.326 4.189
224 H ALA 36 H ALA 36 -7.900 4.505 4.489
225 HA ALA 36 HA ALA 36 -7.932 1.919 3.445
226 HB1 ALA 36 3HB ALA 36 -8.657 2.689 5.751
227 HB2 ALA 36 1HB ALA 36 -10.203 3.109 5.013
228 HB3 ALA 36 2HB ALA 36 -9.640 1.437 4.992
229 H ASP 37 H ASP 37 -10.395 4.476 3.127
230 HA ASP 37 HA ASP 37 -12.085 3.026 1.400
231 HB2 ASP 37 1HB ASP 37 -12.603 5.154 2.746
232 HB3 ASP 37 2HB ASP 37 -11.864 6.030 1.408
233 H TYR 38 H TYR 38 -9.126 4.680 0.865
234 HA TYR 38 HA TYR 38 -9.551 4.995 -1.988
235 HB2 TYR 38 1HB TYR 38 -8.245 6.652 -0.640
236 HB3 TYR 38 2HB TYR 38 -7.014 5.418 -0.397
237 HD1 TYR 38 HD2 TYR 38 -8.573 7.673 -2.837
238 HD2 TYR 38 HD1 TYR 38 -5.520 4.781 -2.187
239 HE1 TYR 38 HE2 TYR 38 -7.503 8.337 -4.950
240 HE2 TYR 38 HE1 TYR 38 -4.441 5.438 -4.297
241 HH TYR 38 HH TYR 38 -5.166 6.520 -6.477
242 H VAL 39 H VAL 39 -7.857 2.860 0.220
243 HA VAL 39 HA VAL 39 -6.551 1.421 -1.933
244 HB VAL 39 HB VAL 39 -6.628 0.894 1.040
245 HG11 VAL 39 1HG1 VAL 39 -6.049 -1.189 0.436
246 HG12 VAL 39 2HG1 VAL 39 -5.637 -0.705 -1.211
247 HG13 VAL 39 3HG1 VAL 39 -4.475 -0.470 0.096
248 HG21 VAL 39 3HG2 VAL 39 -4.403 1.768 1.092
249 HG22 VAL 39 1HG2 VAL 39 -4.356 1.898 -0.666
250 HG23 VAL 39 2HG2 VAL 39 -5.424 2.946 0.267
251 H GLY 40 H GLY 40 -8.541 0.258 0.791
252 HA2 GLY 40 1HA GLY 40 -10.272 -1.257 0.849
253 HA3 GLY 40 2HA GLY 40 -10.464 -1.013 -0.880
254 H ASN 41 H ASN 41 -10.371 -2.884 -1.914
255 HA ASN 41 HA ASN 41 -9.765 -4.987 -2.538
256 HB2 ASN 41 1HB ASN 41 -7.045 -4.508 -1.358
257 HB3 ASN 41 2HB ASN 41 -7.478 -5.381 -2.825
258 HD21 ASN 41 1HD2 ASN 41 -6.631 -2.373 -1.455
259 HD22 ASN 41 2HD2 ASN 41 -6.674 -1.440 -2.908
260 H ALA 42 H ALA 42 -11.100 -4.914 -0.146
261 HA ALA 42 HA ALA 42 -11.661 -6.347 1.542
262 HB1 ALA 42 3HB ALA 42 -9.330 -8.098 1.414
263 HB2 ALA 42 1HB ALA 42 -11.048 -8.483 1.309
264 HB3 ALA 42 2HB ALA 42 -10.177 -7.935 -0.124
265 H ARG 43 H ARG 43 -9.753 -4.055 1.769
266 HA ARG 43 HA ARG 43 -8.499 -4.839 4.319
267 HB2 ARG 43 1HB ARG 43 -7.517 -2.601 2.556
268 HB3 ARG 43 2HB ARG 43 -6.692 -3.355 3.913
269 HG2 ARG 43 1HG ARG 43 -7.355 -4.804 1.363
270 HG3 ARG 43 2HG ARG 43 -5.824 -3.975 1.651
271 HD2 ARG 43 1HD ARG 43 -5.351 -5.409 3.531
272 HD3 ARG 43 2HD ARG 43 -6.936 -6.168 3.395
273 HE ARG 43 HE ARG 43 -5.367 -6.407 1.009
274 HH11 ARG 43 1HH1 ARG 43 -5.982 -7.768 4.154
275 HH12 ARG 43 2HH1 ARG 43 -5.423 -9.351 3.722
276 HH21 ARG 43 1HH2 ARG 43 -4.629 -8.486 0.428
277 HH22 ARG 43 2HH2 ARG 43 -4.652 -9.757 1.603
278 H THR 44 H THR 44 -7.886 -2.533 5.454
279 HA THR 44 HA THR 44 -9.896 -0.520 5.248
280 HB THR 44 HB THR 44 -11.235 -2.258 6.370
281 HG1 THR 44 HG1 THR 44 -12.000 -0.408 7.110
282 HG21 THR 44 3HG2 THR 44 -9.341 -1.994 8.698
283 HG22 THR 44 1HG2 THR 44 -9.246 -3.309 7.528
284 HG23 THR 44 2HG2 THR 44 -10.691 -3.113 8.520
285 H LYS 45 H LYS 45 -9.630 1.181 6.870
286 HA LYS 45 HA LYS 45 -7.110 2.105 7.195
287 HB2 LYS 45 1HB LYS 45 -7.945 3.461 9.097
288 HB3 LYS 45 2HB LYS 45 -9.031 3.477 7.714
289 HG2 LYS 45 1HG LYS 45 -10.461 1.830 8.813
290 HG3 LYS 45 2HG LYS 45 -9.369 1.811 10.201
291 HD2 LYS 45 1HD LYS 45 -9.876 4.075 10.731
292 HD3 LYS 45 2HD LYS 45 -10.735 4.306 9.207
293 HE2 LYS 45 1HE LYS 45 -12.400 2.628 9.946
294 HE3 LYS 45 2HE LYS 45 -11.566 2.525 11.496
295 HZ1 LYS 45 3HZ LYS 45 -12.232 5.214 10.730
296 HZ2 LYS 45 1HZ LYS 45 -12.498 4.410 12.194
297 HZ3 LYS 45 2HZ LYS 45 -13.590 4.223 10.916
298 H GLU 46 H GLU 46 -8.851 0.097 9.558
299 HA GLU 46 HA GLU 46 -6.914 -0.002 11.541
300 HB2 GLU 46 1HB GLU 46 -9.035 -1.946 10.673
301 HB3 GLU 46 2HB GLU 46 -7.934 -2.344 11.986
302 HG2 GLU 46 1HG GLU 46 -8.713 -0.542 13.308
303 HG3 GLU 46 2HG GLU 46 -9.602 0.153 11.954
304 H GLU 47 H GLU 47 -7.214 -1.908 8.589
305 HA GLU 47 HA GLU 47 -4.886 -3.508 9.253
306 HB2 GLU 47 1HB GLU 47 -6.595 -3.442 6.760
307 HB3 GLU 47 2HB GLU 47 -5.302 -4.593 7.070
308 HG2 GLU 47 1HG GLU 47 -7.656 -4.306 8.906
309 HG3 GLU 47 2HG GLU 47 -7.681 -5.365 7.497
310 H CYS 48 H CYS 48 -5.759 -1.564 6.391
311 HA CYS 48 HA CYS 48 -3.444 -1.340 5.086
312 HB2 CYS 48 1HB CYS 48 -5.356 0.906 5.736
313 HB3 CYS 48 2HB CYS 48 -4.053 1.058 4.563
314 HG CYS 48 HG CYS 48 -5.694 -1.632 3.779
315 H ARG 49 H ARG 49 -4.159 0.240 8.143
316 HA ARG 49 HA ARG 49 -1.916 1.928 8.262
317 HB2 ARG 49 1HB ARG 49 -3.728 2.289 9.782
318 HB3 ARG 49 2HB ARG 49 -3.588 0.661 10.430
319 HG2 ARG 49 1HG ARG 49 -1.307 1.300 11.266
320 HG3 ARG 49 2HG ARG 49 -1.693 2.961 10.811
321 HD2 ARG 49 1HD ARG 49 -3.646 1.485 12.494
322 HD3 ARG 49 2HD ARG 49 -2.148 2.027 13.250
323 HE ARG 49 HE ARG 49 -3.010 4.252 12.010
324 HH11 ARG 49 1HH1 ARG 49 -4.584 1.984 14.131
325 HH12 ARG 49 2HH1 ARG 49 -5.664 3.161 14.801
326 HH21 ARG 49 1HH2 ARG 49 -4.427 5.811 12.885
327 HH22 ARG 49 2HH2 ARG 49 -5.575 5.337 14.091
328 H ASP 50 H ASP 50 -2.344 -0.964 10.292
329 HA ASP 50 HA ASP 50 0.327 -1.279 10.960
330 HB2 ASP 50 1HB ASP 50 -2.026 -3.122 10.897
331 HB3 ASP 50 2HB ASP 50 -0.427 -3.800 11.189
332 H HIS 51 H HIS 51 -1.404 -2.320 8.106
333 HA HIS 51 HA HIS 51 0.408 -4.196 7.104
334 HB2 HIS 51 1HB HIS 51 -1.623 -4.149 5.971
335 HB3 HIS 51 2HB HIS 51 -1.629 -2.392 5.846
336 HD1 HIS 51 HD1 HIS 51 0.463 -5.265 4.469
337 HD2 HIS 51 HD2 HIS 51 -1.022 -1.547 3.358
338 HE1 HIS 51 HE1 HIS 51 1.156 -4.953 2.072
339 HE2 HIS 51 HE2 HIS 51 0.320 -2.661 1.447
340 H TYR 52 H TYR 52 0.243 -0.685 6.592
341 HA TYR 52 HA TYR 52 2.570 -0.624 4.929
342 HB2 TYR 52 1HB TYR 52 0.810 1.078 4.741
343 HB3 TYR 52 2HB TYR 52 1.151 1.621 6.380
344 HD1 TYR 52 HD2 TYR 52 3.690 2.298 6.786
345 HD2 TYR 52 HD1 TYR 52 1.767 2.239 2.992
346 HE1 TYR 52 HE2 TYR 52 5.367 3.874 5.919
347 HE2 TYR 52 HE1 TYR 52 3.439 3.814 2.113
348 HH TYR 52 HH TYR 52 5.712 4.544 2.596
349 H LEU 53 H LEU 53 1.973 -0.492 8.333
350 HA LEU 53 HA LEU 53 4.533 0.655 9.002
351 HB2 LEU 53 1HB LEU 53 2.343 -0.594 10.641
352 HB3 LEU 53 2HB LEU 53 3.852 -0.014 11.342
353 HG LEU 53 HG LEU 53 1.942 1.740 9.805
354 HD11 LEU 53 1HD1 LEU 53 1.520 2.613 12.214
355 HD12 LEU 53 2HD1 LEU 53 2.049 1.002 12.698
356 HD13 LEU 53 3HD1 LEU 53 0.653 1.189 11.637
357 HD21 LEU 53 3HD2 LEU 53 3.216 3.497 11.144
358 HD22 LEU 53 1HD2 LEU 53 4.070 2.729 9.805
359 HD23 LEU 53 2HD2 LEU 53 4.399 2.228 11.464
360 H LYS 54 H LYS 54 3.514 -2.355 8.003
361 HA LYS 54 HA LYS 54 5.723 -3.710 9.403
362 HB2 LYS 54 1HB LYS 54 4.560 -5.759 9.197
363 HB3 LYS 54 2HB LYS 54 3.358 -4.585 9.716
364 HG2 LYS 54 1HG LYS 54 2.234 -4.647 7.737
365 HG3 LYS 54 2HG LYS 54 3.678 -5.046 6.802
366 HD2 LYS 54 1HD LYS 54 3.614 -7.308 7.965
367 HD3 LYS 54 2HD LYS 54 1.992 -6.866 8.504
368 HE2 LYS 54 1HE LYS 54 2.632 -6.581 5.616
369 HE3 LYS 54 2HE LYS 54 2.412 -8.209 6.256
370 HZ1 LYS 54 3HZ LYS 54 0.237 -7.564 7.070
371 HZ2 LYS 54 1HZ LYS 54 0.343 -7.289 5.404
372 HZ3 LYS 54 2HZ LYS 54 0.449 -5.991 6.483
373 H THR 55 H THR 55 4.369 -2.867 6.321
374 HA THR 55 HA THR 55 6.220 -4.558 4.850
375 HB THR 55 HB THR 55 4.146 -2.577 3.894
376 HG1 THR 55 HG1 THR 55 3.366 -4.792 3.078
377 HG21 THR 55 3HG2 THR 55 4.979 -2.708 1.830
378 HG22 THR 55 1HG2 THR 55 5.041 -4.468 1.912
379 HG23 THR 55 2HG2 THR 55 6.396 -3.510 2.508
380 H TYR 56 H TYR 56 5.733 -1.149 5.594
381 HA TYR 56 HA TYR 56 8.046 -0.383 4.000
382 HB2 TYR 56 1HB TYR 56 6.144 1.273 5.669
383 HB3 TYR 56 2HB TYR 56 7.448 1.926 4.684
384 HD1 TYR 56 HD1 TYR 56 4.582 -0.446 4.258
385 HD2 TYR 56 HD2 TYR 56 6.826 2.789 2.645
386 HE1 TYR 56 HE1 TYR 56 3.070 -0.372 2.320
387 HE2 TYR 56 HE2 TYR 56 5.319 2.872 0.702
388 HH TYR 56 HH TYR 56 3.105 0.407 -0.013
389 H ILE 57 H ILE 57 7.001 0.276 7.349
390 HA ILE 57 HA ILE 57 9.579 0.979 8.256
391 HB ILE 57 HB ILE 57 7.221 0.002 9.872
392 HG12 ILE 57 1HG1 ILE 57 6.790 2.017 8.456
393 HG13 ILE 57 2HG1 ILE 57 6.662 2.328 10.184
394 HG21 ILE 57 1HG2 ILE 57 8.337 1.277 11.713
395 HG22 ILE 57 2HG2 ILE 57 9.197 -0.172 11.194
396 HG23 ILE 57 3HG2 ILE 57 9.755 1.418 10.673
397 HD11 ILE 57 3HD1 ILE 57 9.332 2.811 9.155
398 HD12 ILE 57 1HD1 ILE 57 8.101 3.801 8.373
399 HD13 ILE 57 2HD1 ILE 57 8.284 3.844 10.127
400 H GLU 58 H GLU 58 7.683 -2.003 8.725
401 HA GLU 58 HA GLU 58 10.068 -3.355 9.727
402 HB2 GLU 58 1HB GLU 58 7.600 -3.508 10.662
403 HB3 GLU 58 2HB GLU 58 7.439 -4.736 9.415
404 HG2 GLU 58 1HG GLU 58 8.014 -5.900 11.358
405 HG3 GLU 58 2HG GLU 58 9.498 -5.820 10.411
Start of MODEL 17
1 H1 GLY 1 H GLY 1 0.065 -10.246 -10.707
2 HA2 GLY 1 1HA GLY 1 -2.554 -11.301 -11.093
3 HA3 GLY 1 2HA GLY 1 -2.240 -9.978 -12.206
4 H SER 2 H SER 2 -1.588 -13.269 -11.416
5 HA SER 2 HA SER 2 -0.344 -13.633 -14.028
6 HB2 SER 2 1HB SER 2 1.522 -13.311 -12.403
7 HB3 SER 2 2HB SER 2 0.935 -14.710 -11.504
8 HG SER 2 HG SER 2 1.960 -14.637 -14.144
9 H SER 3 H SER 3 -0.471 -15.774 -14.825
10 HA SER 3 HA SER 3 -2.800 -17.129 -14.447
11 HB2 SER 3 1HB SER 3 -0.132 -18.343 -15.205
12 HB3 SER 3 2HB SER 3 -1.704 -19.096 -15.472
13 HG SER 3 HG SER 3 -0.440 -17.382 -17.035
14 H GLY 4 H GLY 4 -3.593 -17.727 -12.523
15 HA2 GLY 4 1HA GLY 4 -3.806 -19.369 -10.840
16 HA3 GLY 4 2HA GLY 4 -2.094 -19.729 -11.006
17 H SER 5 H SER 5 -1.141 -19.353 -9.121
18 HA SER 5 HA SER 5 -1.194 -16.703 -7.995
19 HB2 SER 5 1HB SER 5 -1.921 -17.443 -5.738
20 HB3 SER 5 2HB SER 5 -3.197 -17.609 -6.944
21 HG SER 5 HG SER 5 -1.536 -19.805 -6.540
22 H SER 6 H SER 6 0.586 -16.272 -6.738
23 HA SER 6 HA SER 6 2.832 -17.959 -7.056
24 HB2 SER 6 1HB SER 6 2.327 -15.466 -5.442
25 HB3 SER 6 2HB SER 6 3.869 -16.319 -5.356
26 HG SER 6 HG SER 6 4.336 -15.195 -7.067
27 H GLY 7 H GLY 7 0.866 -17.143 -4.202
28 HA2 GLY 7 1HA GLY 7 0.261 -18.874 -2.629
29 HA3 GLY 7 2HA GLY 7 1.793 -19.660 -2.979
30 H PHE 8 H PHE 8 0.554 -16.560 -1.733
31 HA PHE 8 HA PHE 8 2.475 -16.758 0.465
32 HB2 PHE 8 1HB PHE 8 2.310 -14.554 -1.554
33 HB3 PHE 8 2HB PHE 8 2.765 -14.170 0.103
34 HD1 PHE 8 HD2 PHE 8 4.738 -15.440 1.109
35 HD2 PHE 8 HD1 PHE 8 3.887 -15.352 -3.061
36 HE1 PHE 8 HE2 PHE 8 7.058 -16.101 0.625
37 HE2 PHE 8 HE1 PHE 8 6.205 -16.013 -3.551
38 HZ PHE 8 HZ PHE 8 7.795 -16.387 -1.707
39 H ASP 9 H ASP 9 1.751 -15.960 2.385
40 HA ASP 9 HA ASP 9 -1.065 -15.406 2.585
41 HB2 ASP 9 1HB ASP 9 1.079 -15.410 4.721
42 HB3 ASP 9 2HB ASP 9 -0.657 -15.350 5.011
43 H GLU 10 H GLU 10 -1.981 -13.536 3.607
44 HA GLU 10 HA GLU 10 -2.320 -11.258 3.368
45 HB2 GLU 10 1HB GLU 10 -1.128 -10.047 5.061
46 HB3 GLU 10 2HB GLU 10 -1.423 -11.672 5.664
47 HG2 GLU 10 1HG GLU 10 0.795 -12.280 5.511
48 HG3 GLU 10 2HG GLU 10 1.159 -11.041 4.310
49 H ASN 11 H ASN 11 -0.871 -12.248 1.140
50 HA ASN 11 HA ASN 11 1.279 -10.356 0.648
51 HB2 ASN 11 1HB ASN 11 1.831 -12.416 -0.270
52 HB3 ASN 11 2HB ASN 11 0.181 -12.741 -0.794
53 HD21 ASN 11 1HD2 ASN 11 0.084 -12.837 -2.909
54 HD22 ASN 11 2HD2 ASN 11 0.903 -11.796 -4.018
55 H TRP 12 H TRP 12 0.650 -8.342 0.194
56 HA TRP 12 HA TRP 12 -1.831 -7.701 -1.047
57 HB2 TRP 12 1HB TRP 12 0.600 -6.141 -0.246
58 HB3 TRP 12 2HB TRP 12 -0.621 -5.388 -1.267
59 HD1 TRP 12 HD1 TRP 12 -1.182 -7.692 1.802
60 HE1 TRP 12 HE1 TRP 12 -2.644 -6.415 3.493
61 HE3 TRP 12 HE3 TRP 12 -1.521 -3.213 -0.639
62 HZ2 TRP 12 HZ2 TRP 12 -3.790 -3.849 3.756
63 HZ3 TRP 12 HZ3 TRP 12 -2.820 -1.399 0.400
64 HH2 TRP 12 HH2 TRP 12 -3.930 -1.713 2.552
65 H GLY 13 H GLY 13 -2.281 -7.048 -3.127
66 HA2 GLY 13 1HA GLY 13 -0.358 -7.925 -5.137
67 HA3 GLY 13 2HA GLY 13 -2.048 -7.531 -5.415
68 H ALA 14 H ALA 14 0.422 -6.665 -6.812
69 HA ALA 14 HA ALA 14 1.413 -4.225 -6.429
70 HB1 ALA 14 3HB ALA 14 1.542 -5.711 -8.519
71 HB2 ALA 14 1HB ALA 14 0.153 -4.787 -9.092
72 HB3 ALA 14 2HB ALA 14 1.673 -3.965 -8.732
73 H ASP 15 H ASP 15 -1.930 -4.869 -7.334
74 HA ASP 15 HA ASP 15 -2.713 -2.212 -7.831
75 HB2 ASP 15 1HB ASP 15 -4.345 -4.564 -6.851
76 HB3 ASP 15 2HB ASP 15 -5.022 -3.047 -7.437
77 H GLU 16 H GLU 16 -3.691 -4.134 -4.994
78 HA GLU 16 HA GLU 16 -4.423 -1.935 -3.432
79 HB2 GLU 16 1HB GLU 16 -4.312 -3.509 -1.514
80 HB3 GLU 16 2HB GLU 16 -5.209 -4.149 -2.885
81 HG2 GLU 16 1HG GLU 16 -3.077 -5.336 -3.551
82 HG3 GLU 16 2HG GLU 16 -2.451 -4.892 -1.964
83 H GLU 17 H GLU 17 -1.341 -3.075 -4.278
84 HA GLU 17 HA GLU 17 0.004 -2.006 -1.943
85 HB2 GLU 17 1HB GLU 17 0.934 -3.365 -4.458
86 HB3 GLU 17 2HB GLU 17 2.074 -2.581 -3.374
87 HG2 GLU 17 1HG GLU 17 0.841 -4.054 -1.570
88 HG3 GLU 17 2HG GLU 17 0.464 -5.042 -2.981
89 H LEU 18 H LEU 18 -0.594 -1.123 -5.287
90 HA LEU 18 HA LEU 18 1.189 1.110 -5.303
91 HB2 LEU 18 1HB LEU 18 0.800 0.385 -7.432
92 HB3 LEU 18 2HB LEU 18 -0.890 0.004 -7.109
93 HG LEU 18 HG LEU 18 -1.199 2.577 -7.026
94 HD11 LEU 18 1HD1 LEU 18 0.358 3.807 -8.445
95 HD12 LEU 18 2HD1 LEU 18 1.364 2.367 -8.600
96 HD13 LEU 18 3HD1 LEU 18 1.173 3.143 -7.029
97 HD21 LEU 18 3HD2 LEU 18 -0.598 1.775 -9.796
98 HD22 LEU 18 1HD2 LEU 18 -2.086 2.407 -9.090
99 HD23 LEU 18 2HD2 LEU 18 -1.678 0.702 -8.904
100 H LEU 19 H LEU 19 -2.297 0.704 -4.836
101 HA LEU 19 HA LEU 19 -3.037 3.385 -4.740
102 HB2 LEU 19 1HB LEU 19 -4.163 1.032 -3.232
103 HB3 LEU 19 2HB LEU 19 -4.941 2.610 -3.348
104 HG LEU 19 HG LEU 19 -4.323 0.901 -5.750
105 HD11 LEU 19 1HD1 LEU 19 -6.633 0.850 -3.868
106 HD12 LEU 19 2HD1 LEU 19 -5.820 -0.479 -4.692
107 HD13 LEU 19 3HD1 LEU 19 -6.912 0.576 -5.588
108 HD21 LEU 19 3HD2 LEU 19 -6.459 2.439 -6.366
109 HD22 LEU 19 1HD2 LEU 19 -4.787 2.886 -6.703
110 HD23 LEU 19 2HD2 LEU 19 -5.593 3.510 -5.264
111 H LEU 20 H LEU 20 -1.967 1.251 -2.110
112 HA LEU 20 HA LEU 20 -2.278 2.878 0.064
113 HB2 LEU 20 1HB LEU 20 -1.354 0.521 -0.036
114 HB3 LEU 20 2HB LEU 20 0.209 1.250 -0.396
115 HG LEU 20 HG LEU 20 0.300 2.286 1.757
116 HD11 LEU 20 1HD1 LEU 20 -2.560 1.419 1.960
117 HD12 LEU 20 2HD1 LEU 20 -1.861 3.018 2.212
118 HD13 LEU 20 3HD1 LEU 20 -1.596 1.743 3.401
119 HD21 LEU 20 3HD2 LEU 20 0.605 -0.320 1.392
120 HD22 LEU 20 1HD2 LEU 20 -0.749 -0.384 2.520
121 HD23 LEU 20 2HD2 LEU 20 0.749 0.421 2.986
122 H ILE 21 H ILE 21 0.498 2.844 -2.158
123 HA ILE 21 HA ILE 21 1.953 4.887 -0.886
124 HB ILE 21 HB ILE 21 1.993 4.184 -3.822
125 HG12 ILE 21 1HG1 ILE 21 3.725 3.095 -1.595
126 HG13 ILE 21 2HG1 ILE 21 2.354 2.237 -2.290
127 HG21 ILE 21 1HG2 ILE 21 4.500 4.999 -2.661
128 HG22 ILE 21 2HG2 ILE 21 3.643 5.653 -4.056
129 HG23 ILE 21 3HG2 ILE 21 3.267 6.239 -2.435
130 HD11 ILE 21 3HD1 ILE 21 4.967 2.070 -3.115
131 HD12 ILE 21 1HD1 ILE 21 3.551 1.544 -4.025
132 HD13 ILE 21 2HD1 ILE 21 4.233 3.147 -4.303
133 H ASP 22 H ASP 22 0.085 5.098 -3.921
134 HA ASP 22 HA ASP 22 0.161 7.766 -4.390
135 HB2 ASP 22 1HB ASP 22 -1.139 5.842 -5.602
136 HB3 ASP 22 2HB ASP 22 -2.492 6.389 -4.615
137 H ALA 23 H ALA 23 -2.056 6.136 -2.150
138 HA ALA 23 HA ALA 23 -3.410 8.495 -1.344
139 HB1 ALA 23 3HB ALA 23 -3.959 6.946 0.698
140 HB2 ALA 23 1HB ALA 23 -4.648 6.617 -0.892
141 HB3 ALA 23 2HB ALA 23 -3.251 5.698 -0.327
142 H CYS 24 H CYS 24 -0.757 6.624 0.099
143 HA CYS 24 HA CYS 24 -0.419 7.986 2.464
144 HB2 CYS 24 1HB CYS 24 0.947 6.117 2.228
145 HB3 CYS 24 2HB CYS 24 1.496 6.596 0.626
146 HG CYS 24 HG CYS 24 3.242 8.543 1.499
147 H GLU 25 H GLU 25 0.718 8.882 -0.755
148 HA GLU 25 HA GLU 25 1.948 11.311 0.287
149 HB2 GLU 25 1HB GLU 25 1.848 10.102 -2.477
150 HB3 GLU 25 2HB GLU 25 2.585 11.660 -2.131
151 HG2 GLU 25 1HG GLU 25 3.422 9.109 -0.782
152 HG3 GLU 25 2HG GLU 25 4.156 9.710 -2.268
153 H THR 26 H THR 26 -0.901 10.257 -1.391
154 HA THR 26 HA THR 26 -1.665 12.901 -2.260
155 HB THR 26 HB THR 26 -3.074 10.237 -2.309
156 HG1 THR 26 HG1 THR 26 -1.690 10.378 -3.994
157 HG21 THR 26 3HG2 THR 26 -4.141 12.908 -3.231
158 HG22 THR 26 1HG2 THR 26 -4.769 11.942 -1.896
159 HG23 THR 26 2HG2 THR 26 -4.888 11.343 -3.551
160 H LEU 27 H LEU 27 -3.459 10.567 -0.251
161 HA LEU 27 HA LEU 27 -4.924 12.644 1.051
162 HB2 LEU 27 1HB LEU 27 -4.673 9.732 1.789
163 HB3 LEU 27 2HB LEU 27 -5.896 10.854 2.381
164 HG LEU 27 HG LEU 27 -5.602 9.928 -0.477
165 HD11 LEU 27 1HD1 LEU 27 -6.538 8.441 1.576
166 HD12 LEU 27 2HD1 LEU 27 -7.107 8.306 -0.088
167 HD13 LEU 27 3HD1 LEU 27 -8.010 9.275 1.077
168 HD21 LEU 27 3HD2 LEU 27 -7.642 11.690 0.875
169 HD22 LEU 27 1HD2 LEU 27 -7.820 11.011 -0.743
170 HD23 LEU 27 2HD2 LEU 27 -6.516 12.149 -0.404
171 H GLY 28 H GLY 28 -2.264 10.501 2.003
172 HA2 GLY 28 1HA GLY 28 -0.512 11.286 3.439
173 HA3 GLY 28 2HA GLY 28 -1.667 12.375 4.191
174 H LEU 29 H LEU 29 -0.047 9.457 4.477
175 HA LEU 29 HA LEU 29 -1.601 7.625 5.669
176 HB2 LEU 29 1HB LEU 29 1.060 8.628 6.660
177 HB3 LEU 29 2HB LEU 29 0.288 7.154 7.239
178 HG LEU 29 HG LEU 29 1.127 7.638 4.382
179 HD11 LEU 29 1HD1 LEU 29 3.075 6.444 4.768
180 HD12 LEU 29 2HD1 LEU 29 2.482 5.770 6.286
181 HD13 LEU 29 3HD1 LEU 29 2.952 7.467 6.200
182 HD21 LEU 29 3HD2 LEU 29 -0.084 5.840 3.918
183 HD22 LEU 29 1HD2 LEU 29 -0.574 5.706 5.607
184 HD23 LEU 29 2HD2 LEU 29 0.893 4.902 5.048
185 H GLY 30 H GLY 30 -0.794 10.758 6.996
186 HA2 GLY 30 1HA GLY 30 -1.297 10.641 9.633
187 HA3 GLY 30 2HA GLY 30 -1.936 11.939 8.635
188 H ASN 31 H ASN 31 -3.875 10.727 7.178
189 HA ASN 31 HA ASN 31 -5.759 9.842 9.260
190 HB2 ASN 31 1HB ASN 31 -6.025 11.637 6.906
191 HB3 ASN 31 2HB ASN 31 -7.407 10.613 7.287
192 HD21 ASN 31 1HD2 ASN 31 -8.524 10.929 9.202
193 HD22 ASN 31 2HD2 ASN 31 -8.339 12.360 10.152
194 H TRP 32 H TRP 32 -5.304 7.636 9.085
195 HA TRP 32 HA TRP 32 -5.207 6.195 6.673
196 HB2 TRP 32 1HB TRP 32 -5.866 5.317 9.489
197 HB3 TRP 32 2HB TRP 32 -5.668 4.199 8.142
198 HD1 TRP 32 HD1 TRP 32 -3.710 6.166 10.674
199 HE1 TRP 32 HE1 TRP 32 -1.195 5.722 10.356
200 HE3 TRP 32 HE3 TRP 32 -3.879 3.705 6.196
201 HZ2 TRP 32 HZ2 TRP 32 0.494 4.492 8.458
202 HZ3 TRP 32 HZ3 TRP 32 -1.769 2.928 5.197
203 HH2 TRP 32 HH2 TRP 32 0.371 3.315 6.306
204 H ALA 33 H ALA 33 -7.878 6.978 8.844
205 HA ALA 33 HA ALA 33 -9.903 5.392 8.008
206 HB1 ALA 33 3HB ALA 33 -11.422 7.378 8.355
207 HB2 ALA 33 1HB ALA 33 -10.342 6.989 9.694
208 HB3 ALA 33 2HB ALA 33 -9.965 8.336 8.619
209 H ASP 34 H ASP 34 -8.700 8.257 6.304
210 HA ASP 34 HA ASP 34 -10.603 8.072 4.182
211 HB2 ASP 34 1HB ASP 34 -7.994 9.580 4.420
212 HB3 ASP 34 2HB ASP 34 -9.093 9.729 3.052
213 H ILE 35 H ILE 35 -7.191 7.168 4.533
214 HA ILE 35 HA ILE 35 -6.706 6.297 1.940
215 HB ILE 35 HB ILE 35 -5.583 5.158 4.502
216 HG12 ILE 35 1HG1 ILE 35 -4.558 7.333 2.665
217 HG13 ILE 35 2HG1 ILE 35 -5.201 7.566 4.287
218 HG21 ILE 35 1HG2 ILE 35 -4.048 5.102 1.975
219 HG22 ILE 35 2HG2 ILE 35 -4.083 3.949 3.309
220 HG23 ILE 35 3HG2 ILE 35 -5.387 3.964 2.122
221 HD11 ILE 35 3HD1 ILE 35 -2.645 7.530 3.910
222 HD12 ILE 35 1HD1 ILE 35 -3.330 6.679 5.295
223 HD13 ILE 35 2HD1 ILE 35 -2.852 5.780 3.855
224 H ALA 36 H ALA 36 -8.095 4.545 4.684
225 HA ALA 36 HA ALA 36 -8.189 1.983 3.691
226 HB1 ALA 36 3HB ALA 36 -8.969 2.886 5.960
227 HB2 ALA 36 1HB ALA 36 -10.523 3.151 5.168
228 HB3 ALA 36 2HB ALA 36 -9.849 1.524 5.266
229 H ASP 37 H ASP 37 -10.375 4.672 2.998
230 HA ASP 37 HA ASP 37 -12.125 3.084 1.364
231 HB2 ASP 37 1HB ASP 37 -12.789 5.173 2.644
232 HB3 ASP 37 2HB ASP 37 -11.933 6.096 1.412
233 H TYR 38 H TYR 38 -9.121 4.582 0.903
234 HA TYR 38 HA TYR 38 -9.472 4.964 -1.960
235 HB2 TYR 38 1HB TYR 38 -8.147 6.561 -0.524
236 HB3 TYR 38 2HB TYR 38 -6.942 5.291 -0.340
237 HD1 TYR 38 HD1 TYR 38 -5.662 4.510 -2.322
238 HD2 TYR 38 HD2 TYR 38 -8.285 7.854 -2.522
239 HE1 TYR 38 HE1 TYR 38 -4.584 5.223 -4.415
240 HE2 TYR 38 HE2 TYR 38 -7.216 8.575 -4.616
241 HH TYR 38 HH TYR 38 -4.914 6.574 -6.288
242 H VAL 39 H VAL 39 -7.799 2.825 0.282
243 HA VAL 39 HA VAL 39 -6.526 1.337 -1.850
244 HB VAL 39 HB VAL 39 -6.656 0.778 1.117
245 HG11 VAL 39 1HG1 VAL 39 -6.032 -0.990 -0.917
246 HG12 VAL 39 2HG1 VAL 39 -4.460 -0.414 -0.358
247 HG13 VAL 39 3HG1 VAL 39 -5.588 -1.150 0.782
248 HG21 VAL 39 3HG2 VAL 39 -4.521 1.752 1.299
249 HG22 VAL 39 1HG2 VAL 39 -4.298 1.786 -0.450
250 HG23 VAL 39 2HG2 VAL 39 -5.457 2.875 0.313
251 H GLY 40 H GLY 40 -8.567 0.226 0.858
252 HA2 GLY 40 1HA GLY 40 -10.333 -1.250 0.902
253 HA3 GLY 40 2HA GLY 40 -10.491 -1.020 -0.833
254 H ASN 41 H ASN 41 -10.415 -2.902 -1.848
255 HA ASN 41 HA ASN 41 -9.895 -5.057 -2.380
256 HB2 ASN 41 1HB ASN 41 -7.107 -4.588 -1.384
257 HB3 ASN 41 2HB ASN 41 -7.646 -5.439 -2.829
258 HD21 ASN 41 1HD2 ASN 41 -6.213 -2.699 -1.725
259 HD22 ASN 41 2HD2 ASN 41 -6.504 -1.657 -3.072
260 H ALA 42 H ALA 42 -11.171 -5.078 -0.056
261 HA ALA 42 HA ALA 42 -11.606 -6.411 1.740
262 HB1 ALA 42 3HB ALA 42 -9.584 -7.910 0.252
263 HB2 ALA 42 1HB ALA 42 -9.647 -8.296 1.972
264 HB3 ALA 42 2HB ALA 42 -11.096 -8.453 0.977
265 H ARG 43 H ARG 43 -9.751 -4.066 1.824
266 HA ARG 43 HA ARG 43 -8.399 -4.733 4.357
267 HB2 ARG 43 1HB ARG 43 -7.502 -2.564 2.465
268 HB3 ARG 43 2HB ARG 43 -6.629 -3.235 3.836
269 HG2 ARG 43 1HG ARG 43 -7.324 -4.801 1.364
270 HG3 ARG 43 2HG ARG 43 -5.790 -3.963 1.609
271 HD2 ARG 43 1HD ARG 43 -5.264 -5.335 3.494
272 HD3 ARG 43 2HD ARG 43 -6.875 -6.051 3.488
273 HE ARG 43 HE ARG 43 -5.404 -6.466 1.051
274 HH11 ARG 43 1HH1 ARG 43 -6.052 -7.663 4.255
275 HH12 ARG 43 2HH1 ARG 43 -5.604 -9.294 3.878
276 HH21 ARG 43 1HH2 ARG 43 -4.811 -8.609 0.542
277 HH22 ARG 43 2HH2 ARG 43 -4.898 -9.830 1.765
278 H THR 44 H THR 44 -7.877 -2.539 5.553
279 HA THR 44 HA THR 44 -9.852 -0.476 5.270
280 HB THR 44 HB THR 44 -11.281 -2.059 6.386
281 HG1 THR 44 HG1 THR 44 -10.501 -0.444 8.546
282 HG21 THR 44 3HG2 THR 44 -8.857 -2.568 7.989
283 HG22 THR 44 1HG2 THR 44 -10.152 -3.666 7.513
284 HG23 THR 44 2HG2 THR 44 -10.379 -2.574 8.879
285 H LYS 45 H LYS 45 -9.694 1.107 7.152
286 HA LYS 45 HA LYS 45 -7.195 2.159 7.386
287 HB2 LYS 45 1HB LYS 45 -8.013 3.304 9.457
288 HB3 LYS 45 2HB LYS 45 -9.103 3.430 8.083
289 HG2 LYS 45 1HG LYS 45 -10.372 1.484 9.066
290 HG3 LYS 45 2HG LYS 45 -9.389 1.693 10.517
291 HD2 LYS 45 1HD LYS 45 -10.325 3.759 11.006
292 HD3 LYS 45 2HD LYS 45 -10.857 4.023 9.344
293 HE2 LYS 45 1HE LYS 45 -12.853 3.518 10.358
294 HE3 LYS 45 2HE LYS 45 -12.347 1.919 9.815
295 HZ1 LYS 45 3HZ LYS 45 -12.262 3.042 12.545
296 HZ2 LYS 45 1HZ LYS 45 -11.306 1.715 12.114
297 HZ3 LYS 45 2HZ LYS 45 -12.991 1.611 12.013
298 H GLU 46 H GLU 46 -8.697 -0.176 9.591
299 HA GLU 46 HA GLU 46 -6.672 -0.278 11.508
300 HB2 GLU 46 1HB GLU 46 -8.626 -2.384 10.584
301 HB3 GLU 46 2HB GLU 46 -7.551 -2.607 11.957
302 HG2 GLU 46 1HG GLU 46 -9.602 -0.419 11.711
303 HG3 GLU 46 2HG GLU 46 -9.820 -1.921 12.607
304 H GLU 47 H GLU 47 -7.039 -2.022 8.460
305 HA GLU 47 HA GLU 47 -4.592 -3.517 8.892
306 HB2 GLU 47 1HB GLU 47 -6.572 -3.412 6.620
307 HB3 GLU 47 2HB GLU 47 -5.085 -4.347 6.539
308 HG2 GLU 47 1HG GLU 47 -7.358 -5.428 7.297
309 HG3 GLU 47 2HG GLU 47 -5.820 -5.916 8.005
310 H CYS 48 H CYS 48 -5.717 -1.456 6.205
311 HA CYS 48 HA CYS 48 -3.439 -1.026 4.848
312 HB2 CYS 48 1HB CYS 48 -5.601 0.947 5.563
313 HB3 CYS 48 2HB CYS 48 -4.280 1.371 4.480
314 HG CYS 48 HG CYS 48 -5.035 -0.054 2.390
315 H ARG 49 H ARG 49 -4.208 0.302 7.993
316 HA ARG 49 HA ARG 49 -2.060 2.168 8.086
317 HB2 ARG 49 1HB ARG 49 -3.964 2.485 9.530
318 HB3 ARG 49 2HB ARG 49 -3.726 0.905 10.266
319 HG2 ARG 49 1HG ARG 49 -1.733 1.625 11.351
320 HG3 ARG 49 2HG ARG 49 -1.727 3.144 10.452
321 HD2 ARG 49 1HD ARG 49 -4.117 3.384 11.564
322 HD3 ARG 49 2HD ARG 49 -3.405 2.296 12.755
323 HE ARG 49 HE ARG 49 -1.686 4.490 12.193
324 HH11 ARG 49 1HH1 ARG 49 -4.554 3.583 13.945
325 HH12 ARG 49 2HH1 ARG 49 -4.361 4.809 15.154
326 HH21 ARG 49 1HH2 ARG 49 -1.420 6.108 13.779
327 HH22 ARG 49 2HH2 ARG 49 -2.578 6.245 15.058
328 H ASP 50 H ASP 50 -2.516 -0.857 9.925
329 HA ASP 50 HA ASP 50 0.149 -1.034 10.793
330 HB2 ASP 50 1HB ASP 50 -1.649 -2.254 11.900
331 HB3 ASP 50 2HB ASP 50 -1.915 -3.219 10.451
332 H HIS 51 H HIS 51 -1.513 -2.787 8.173
333 HA HIS 51 HA HIS 51 0.416 -4.380 7.183
334 HB2 HIS 51 1HB HIS 51 -1.736 -4.264 6.109
335 HB3 HIS 51 2HB HIS 51 -1.450 -2.601 5.604
336 HD1 HIS 51 HD1 HIS 51 0.025 -6.051 4.987
337 HD2 HIS 51 HD2 HIS 51 -0.457 -2.385 3.093
338 HE1 HIS 51 HE1 HIS 51 0.886 -6.384 2.648
339 HE2 HIS 51 HE2 HIS 51 0.663 -4.130 1.547
340 H TYR 52 H TYR 52 0.240 -0.881 6.725
341 HA TYR 52 HA TYR 52 2.536 -0.767 5.018
342 HB2 TYR 52 1HB TYR 52 0.776 0.943 4.916
343 HB3 TYR 52 2HB TYR 52 1.144 1.430 6.567
344 HD1 TYR 52 HD2 TYR 52 3.732 2.033 6.931
345 HD2 TYR 52 HD1 TYR 52 1.667 2.216 3.216
346 HE1 TYR 52 HE2 TYR 52 5.398 3.636 6.091
347 HE2 TYR 52 HE1 TYR 52 3.328 3.818 2.365
348 HH TYR 52 HH TYR 52 5.016 5.221 2.978
349 H LEU 53 H LEU 53 1.927 -0.245 8.456
350 HA LEU 53 HA LEU 53 4.522 0.701 9.092
351 HB2 LEU 53 1HB LEU 53 2.392 -0.592 10.784
352 HB3 LEU 53 2HB LEU 53 3.883 0.088 11.433
353 HG LEU 53 HG LEU 53 1.909 1.728 9.863
354 HD11 LEU 53 1HD1 LEU 53 1.832 0.843 12.686
355 HD12 LEU 53 2HD1 LEU 53 0.516 1.260 11.590
356 HD13 LEU 53 3HD1 LEU 53 1.460 2.536 12.360
357 HD21 LEU 53 3HD2 LEU 53 3.383 3.114 11.879
358 HD22 LEU 53 1HD2 LEU 53 3.390 3.356 10.132
359 HD23 LEU 53 2HD2 LEU 53 4.501 2.200 10.866
360 H LYS 54 H LYS 54 3.501 -2.300 8.083
361 HA LYS 54 HA LYS 54 5.764 -3.640 9.414
362 HB2 LYS 54 1HB LYS 54 4.591 -5.679 9.374
363 HB3 LYS 54 2HB LYS 54 3.397 -4.489 9.877
364 HG2 LYS 54 1HG LYS 54 2.247 -4.601 7.888
365 HG3 LYS 54 2HG LYS 54 3.650 -5.181 6.987
366 HD2 LYS 54 1HD LYS 54 2.047 -6.974 7.236
367 HD3 LYS 54 2HD LYS 54 3.488 -7.334 8.190
368 HE2 LYS 54 1HE LYS 54 1.798 -7.860 9.670
369 HE3 LYS 54 2HE LYS 54 2.166 -6.196 10.120
370 HZ1 LYS 54 3HZ LYS 54 -0.069 -7.087 8.378
371 HZ2 LYS 54 1HZ LYS 54 0.303 -5.474 8.728
372 HZ3 LYS 54 2HZ LYS 54 -0.203 -6.511 9.964
373 H THR 55 H THR 55 4.230 -2.849 6.409
374 HA THR 55 HA THR 55 5.984 -4.583 4.865
375 HB THR 55 HB THR 55 3.858 -2.626 3.971
376 HG1 THR 55 HG1 THR 55 3.190 -4.618 5.061
377 HG21 THR 55 3HG2 THR 55 5.202 -4.720 2.277
378 HG22 THR 55 1HG2 THR 55 5.779 -3.056 2.353
379 HG23 THR 55 2HG2 THR 55 4.154 -3.399 1.759
380 H TYR 56 H TYR 56 5.254 -1.092 4.990
381 HA TYR 56 HA TYR 56 7.458 -0.347 3.371
382 HB2 TYR 56 1HB TYR 56 5.687 1.207 5.254
383 HB3 TYR 56 2HB TYR 56 6.983 1.965 4.335
384 HD1 TYR 56 HD1 TYR 56 4.046 -0.282 3.771
385 HD2 TYR 56 HD2 TYR 56 6.442 2.914 2.304
386 HE1 TYR 56 HE1 TYR 56 2.530 -0.036 1.850
387 HE2 TYR 56 HE2 TYR 56 4.931 3.170 0.380
388 HH TYR 56 HH TYR 56 2.197 0.971 -0.116
389 H ILE 57 H ILE 57 6.983 -0.618 6.850
390 HA ILE 57 HA ILE 57 9.587 0.472 7.460
391 HB ILE 57 HB ILE 57 7.485 -0.832 9.185
392 HG12 ILE 57 1HG1 ILE 57 7.013 1.347 9.969
393 HG13 ILE 57 2HG1 ILE 57 8.507 1.999 9.306
394 HG21 ILE 57 1HG2 ILE 57 9.323 -1.388 10.420
395 HG22 ILE 57 2HG2 ILE 57 10.285 -0.049 9.797
396 HG23 ILE 57 3HG2 ILE 57 9.047 0.248 11.017
397 HD11 ILE 57 3HD1 ILE 57 6.235 0.970 7.630
398 HD12 ILE 57 1HD1 ILE 57 6.452 2.661 8.079
399 HD13 ILE 57 2HD1 ILE 57 7.661 1.851 7.082
400 H GLU 58 H GLU 58 8.065 -2.692 8.119
401 HA GLU 58 HA GLU 58 10.702 -3.906 8.333
402 HB2 GLU 58 1HB GLU 58 7.913 -4.779 8.986
403 HB3 GLU 58 2HB GLU 58 9.175 -5.988 8.790
404 HG2 GLU 58 1HG GLU 58 10.479 -4.953 10.549
405 HG3 GLU 58 2HG GLU 58 9.273 -3.679 10.718
Start of MODEL 18
1 H1 GLY 1 H GLY 1 10.894 -7.703 7.460
2 HA2 GLY 1 1HA GLY 1 11.147 -6.009 5.249
3 HA3 GLY 1 2HA GLY 1 12.743 -6.653 5.606
4 H SER 2 H SER 2 13.225 -8.744 5.092
5 HA SER 2 HA SER 2 11.065 -10.399 3.982
6 HB2 SER 2 1HB SER 2 13.770 -9.987 2.684
7 HB3 SER 2 2HB SER 2 12.489 -11.048 2.098
8 HG SER 2 HG SER 2 12.829 -8.464 1.607
9 H SER 3 H SER 3 11.278 -11.400 6.117
10 HA SER 3 HA SER 3 13.626 -12.650 7.015
11 HB2 SER 3 1HB SER 3 12.079 -14.031 8.421
12 HB3 SER 3 2HB SER 3 11.782 -12.296 8.536
13 HG SER 3 HG SER 3 10.214 -14.304 7.435
14 H GLY 4 H GLY 4 10.781 -14.141 5.449
15 HA2 GLY 4 1HA GLY 4 11.121 -15.632 3.552
16 HA3 GLY 4 2HA GLY 4 12.613 -16.160 4.316
17 H SER 5 H SER 5 9.091 -16.171 4.675
18 HA SER 5 HA SER 5 9.296 -18.841 5.863
19 HB2 SER 5 1HB SER 5 7.681 -16.558 7.021
20 HB3 SER 5 2HB SER 5 7.545 -18.239 7.535
21 HG SER 5 HG SER 5 9.961 -16.753 7.592
22 H SER 6 H SER 6 8.053 -20.207 4.782
23 HA SER 6 HA SER 6 5.800 -19.133 3.226
24 HB2 SER 6 1HB SER 6 7.649 -21.458 2.835
25 HB3 SER 6 2HB SER 6 6.036 -21.511 2.123
26 HG SER 6 HG SER 6 6.682 -20.160 0.658
27 H GLY 7 H GLY 7 4.198 -19.148 4.788
28 HA2 GLY 7 1HA GLY 7 3.156 -21.806 5.424
29 HA3 GLY 7 2HA GLY 7 3.500 -20.735 6.774
30 H PHE 8 H PHE 8 2.488 -18.483 6.522
31 HA PHE 8 HA PHE 8 0.017 -18.406 5.027
32 HB2 PHE 8 1HB PHE 8 -1.475 -18.233 6.889
33 HB3 PHE 8 2HB PHE 8 -0.522 -19.694 7.126
34 HD1 PHE 8 HD2 PHE 8 1.413 -19.627 8.733
35 HD2 PHE 8 HD1 PHE 8 -1.485 -16.520 8.484
36 HE1 PHE 8 HE2 PHE 8 2.080 -18.831 10.963
37 HE2 PHE 8 HE1 PHE 8 -0.822 -15.718 10.713
38 HZ PHE 8 HZ PHE 8 0.962 -16.874 11.957
39 H ASP 9 H ASP 9 -0.097 -16.419 4.247
40 HA ASP 9 HA ASP 9 0.341 -14.127 5.961
41 HB2 ASP 9 1HB ASP 9 2.209 -14.885 3.754
42 HB3 ASP 9 2HB ASP 9 1.869 -13.178 4.023
43 H GLU 10 H GLU 10 -0.044 -12.048 4.675
44 HA GLU 10 HA GLU 10 -2.200 -12.542 2.728
45 HB2 GLU 10 1HB GLU 10 -1.883 -10.394 4.818
46 HB3 GLU 10 2HB GLU 10 -3.024 -10.248 3.489
47 HG2 GLU 10 1HG GLU 10 -4.115 -12.325 4.230
48 HG3 GLU 10 2HG GLU 10 -3.004 -12.396 5.596
49 H ASN 11 H ASN 11 0.485 -12.391 1.919
50 HA ASN 11 HA ASN 11 1.699 -10.140 1.188
51 HB2 ASN 11 1HB ASN 11 1.074 -12.507 -0.579
52 HB3 ASN 11 2HB ASN 11 2.159 -11.212 -1.075
53 HD21 ASN 11 1HD2 ASN 11 1.627 -13.695 1.355
54 HD22 ASN 11 2HD2 ASN 11 3.290 -13.897 1.777
55 H TRP 12 H TRP 12 0.821 -8.237 0.693
56 HA TRP 12 HA TRP 12 -1.651 -7.858 -0.583
57 HB2 TRP 12 1HB TRP 12 0.697 -6.059 -0.047
58 HB3 TRP 12 2HB TRP 12 -0.686 -5.483 -0.974
59 HD1 TRP 12 HD1 TRP 12 -0.807 -7.693 2.202
60 HE1 TRP 12 HE1 TRP 12 -2.184 -6.448 3.985
61 HE3 TRP 12 HE3 TRP 12 -1.608 -3.311 -0.305
62 HZ2 TRP 12 HZ2 TRP 12 -3.443 -3.940 4.288
63 HZ3 TRP 12 HZ3 TRP 12 -2.910 -1.540 0.801
64 HH2 TRP 12 HH2 TRP 12 -3.808 -1.850 3.051
65 H GLY 13 H GLY 13 -2.172 -7.151 -2.682
66 HA2 GLY 13 1HA GLY 13 -0.462 -8.273 -4.731
67 HA3 GLY 13 2HA GLY 13 -2.068 -7.599 -4.963
68 H ALA 14 H ALA 14 -0.292 -6.996 -6.843
69 HA ALA 14 HA ALA 14 1.364 -4.777 -6.426
70 HB1 ALA 14 3HB ALA 14 0.116 -6.055 -8.798
71 HB2 ALA 14 1HB ALA 14 0.789 -4.435 -8.987
72 HB3 ALA 14 2HB ALA 14 1.816 -5.758 -8.432
73 H ASP 15 H ASP 15 -2.051 -4.986 -7.323
74 HA ASP 15 HA ASP 15 -2.463 -2.247 -7.814
75 HB2 ASP 15 1HB ASP 15 -4.392 -4.386 -6.893
76 HB3 ASP 15 2HB ASP 15 -4.875 -2.776 -7.420
77 H GLU 16 H GLU 16 -3.717 -4.037 -4.999
78 HA GLU 16 HA GLU 16 -4.285 -1.852 -3.415
79 HB2 GLU 16 1HB GLU 16 -4.317 -3.354 -1.535
80 HB3 GLU 16 2HB GLU 16 -4.953 -4.202 -2.937
81 HG2 GLU 16 1HG GLU 16 -2.805 -5.318 -3.242
82 HG3 GLU 16 2HG GLU 16 -2.164 -4.466 -1.839
83 H GLU 17 H GLU 17 -1.226 -3.096 -4.287
84 HA GLU 17 HA GLU 17 0.196 -1.988 -2.030
85 HB2 GLU 17 1HB GLU 17 0.969 -3.440 -4.529
86 HB3 GLU 17 2HB GLU 17 2.195 -2.535 -3.651
87 HG2 GLU 17 1HG GLU 17 0.459 -4.608 -2.347
88 HG3 GLU 17 2HG GLU 17 2.004 -4.986 -3.105
89 H LEU 18 H LEU 18 -0.666 -1.030 -5.265
90 HA LEU 18 HA LEU 18 1.166 1.192 -5.352
91 HB2 LEU 18 1HB LEU 18 0.764 0.545 -7.485
92 HB3 LEU 18 2HB LEU 18 -0.876 0.009 -7.128
93 HG LEU 18 HG LEU 18 -1.436 2.524 -7.004
94 HD11 LEU 18 1HD1 LEU 18 1.351 2.619 -7.673
95 HD12 LEU 18 2HD1 LEU 18 0.243 3.940 -7.305
96 HD13 LEU 18 3HD1 LEU 18 0.393 3.351 -8.960
97 HD21 LEU 18 3HD2 LEU 18 -2.283 2.338 -9.089
98 HD22 LEU 18 1HD2 LEU 18 -1.736 0.670 -8.925
99 HD23 LEU 18 2HD2 LEU 18 -0.742 1.842 -9.790
100 H LEU 19 H LEU 19 -2.348 0.799 -4.985
101 HA LEU 19 HA LEU 19 -3.098 3.448 -4.813
102 HB2 LEU 19 1HB LEU 19 -4.162 0.982 -3.474
103 HB3 LEU 19 2HB LEU 19 -4.908 2.560 -3.230
104 HG LEU 19 HG LEU 19 -5.940 0.999 -4.973
105 HD11 LEU 19 1HD1 LEU 19 -5.320 3.878 -5.198
106 HD12 LEU 19 2HD1 LEU 19 -6.875 3.050 -5.128
107 HD13 LEU 19 3HD1 LEU 19 -5.967 3.091 -6.638
108 HD21 LEU 19 3HD2 LEU 19 -3.977 0.239 -6.102
109 HD22 LEU 19 1HD2 LEU 19 -3.466 1.893 -6.442
110 HD23 LEU 19 2HD2 LEU 19 -4.898 1.232 -7.232
111 H LEU 20 H LEU 20 -2.258 1.311 -2.082
112 HA LEU 20 HA LEU 20 -2.480 2.939 0.046
113 HB2 LEU 20 1HB LEU 20 -1.595 0.621 0.069
114 HB3 LEU 20 2HB LEU 20 -0.043 1.246 -0.485
115 HG LEU 20 HG LEU 20 0.173 2.524 1.602
116 HD11 LEU 20 1HD1 LEU 20 -1.441 1.773 3.462
117 HD12 LEU 20 2HD1 LEU 20 -2.518 1.326 2.139
118 HD13 LEU 20 3HD1 LEU 20 -1.986 2.998 2.315
119 HD21 LEU 20 3HD2 LEU 20 -0.104 0.186 3.038
120 HD22 LEU 20 1HD2 LEU 20 1.317 0.680 2.116
121 HD23 LEU 20 2HD2 LEU 20 0.110 -0.374 1.379
122 H ILE 21 H ILE 21 0.406 2.862 -2.045
123 HA ILE 21 HA ILE 21 1.794 4.941 -0.798
124 HB ILE 21 HB ILE 21 1.873 4.107 -3.700
125 HG12 ILE 21 1HG1 ILE 21 3.954 3.418 -1.663
126 HG13 ILE 21 2HG1 ILE 21 2.460 2.488 -1.702
127 HG21 ILE 21 1HG2 ILE 21 3.346 5.722 -4.083
128 HG22 ILE 21 2HG2 ILE 21 3.008 6.362 -2.475
129 HG23 ILE 21 3HG2 ILE 21 4.324 5.212 -2.707
130 HD11 ILE 21 3HD1 ILE 21 4.259 2.883 -4.078
131 HD12 ILE 21 1HD1 ILE 21 4.331 1.494 -2.994
132 HD13 ILE 21 2HD1 ILE 21 2.877 1.795 -3.946
133 H ASP 22 H ASP 22 0.025 5.146 -3.892
134 HA ASP 22 HA ASP 22 0.083 7.794 -4.383
135 HB2 ASP 22 1HB ASP 22 -1.251 5.831 -5.534
136 HB3 ASP 22 2HB ASP 22 -2.593 6.477 -4.594
137 H ALA 23 H ALA 23 -2.107 6.210 -2.090
138 HA ALA 23 HA ALA 23 -3.452 8.599 -1.329
139 HB1 ALA 23 3HB ALA 23 -3.602 6.704 0.769
140 HB2 ALA 23 1HB ALA 23 -4.826 7.107 -0.436
141 HB3 ALA 23 2HB ALA 23 -3.661 5.822 -0.757
142 H CYS 24 H CYS 24 -0.846 6.694 0.158
143 HA CYS 24 HA CYS 24 -0.484 8.044 2.510
144 HB2 CYS 24 1HB CYS 24 0.897 6.191 2.250
145 HB3 CYS 24 2HB CYS 24 1.427 6.685 0.646
146 HG CYS 24 HG CYS 24 3.677 6.857 2.173
147 H GLU 25 H GLU 25 0.649 8.981 -0.701
148 HA GLU 25 HA GLU 25 1.850 11.412 0.368
149 HB2 GLU 25 1HB GLU 25 1.758 10.270 -2.427
150 HB3 GLU 25 2HB GLU 25 2.537 11.790 -2.011
151 HG2 GLU 25 1HG GLU 25 3.313 9.310 -0.557
152 HG3 GLU 25 2HG GLU 25 3.921 9.588 -2.188
153 H THR 26 H THR 26 -0.946 10.350 -1.419
154 HA THR 26 HA THR 26 -1.740 12.992 -2.239
155 HB THR 26 HB THR 26 -3.142 10.323 -2.315
156 HG1 THR 26 HG1 THR 26 -2.896 10.733 -4.602
157 HG21 THR 26 3HG2 THR 26 -4.172 13.029 -3.162
158 HG22 THR 26 1HG2 THR 26 -4.885 11.935 -1.977
159 HG23 THR 26 2HG2 THR 26 -4.876 11.500 -3.687
160 H LEU 27 H LEU 27 -3.532 10.623 -0.270
161 HA LEU 27 HA LEU 27 -5.054 12.655 1.021
162 HB2 LEU 27 1HB LEU 27 -4.707 9.777 1.844
163 HB3 LEU 27 2HB LEU 27 -6.006 10.865 2.329
164 HG LEU 27 HG LEU 27 -5.538 9.876 -0.483
165 HD11 LEU 27 1HD1 LEU 27 -7.538 9.006 1.597
166 HD12 LEU 27 2HD1 LEU 27 -6.207 8.047 0.952
167 HD13 LEU 27 3HD1 LEU 27 -7.546 8.512 -0.096
168 HD21 LEU 27 3HD2 LEU 27 -7.580 11.664 0.787
169 HD22 LEU 27 1HD2 LEU 27 -7.966 10.724 -0.655
170 HD23 LEU 27 2HD2 LEU 27 -6.656 11.904 -0.697
171 H GLY 28 H GLY 28 -2.356 10.583 2.039
172 HA2 GLY 28 1HA GLY 28 -0.628 11.465 3.462
173 HA3 GLY 28 2HA GLY 28 -1.832 12.507 4.206
174 H LEU 29 H LEU 29 -0.036 9.747 4.601
175 HA LEU 29 HA LEU 29 -1.572 7.843 5.783
176 HB2 LEU 29 1HB LEU 29 1.107 8.887 6.676
177 HB3 LEU 29 2HB LEU 29 0.370 7.416 7.309
178 HG LEU 29 HG LEU 29 1.084 7.845 4.411
179 HD11 LEU 29 1HD1 LEU 29 3.055 6.616 4.753
180 HD12 LEU 29 2HD1 LEU 29 2.573 6.134 6.379
181 HD13 LEU 29 3HD1 LEU 29 3.024 7.807 6.053
182 HD21 LEU 29 3HD2 LEU 29 -0.570 5.962 5.689
183 HD22 LEU 29 1HD2 LEU 29 0.925 5.122 5.275
184 HD23 LEU 29 2HD2 LEU 29 0.002 5.949 4.020
185 H GLY 30 H GLY 30 -0.948 11.037 6.965
186 HA2 GLY 30 1HA GLY 30 -1.329 10.898 9.662
187 HA3 GLY 30 2HA GLY 30 -1.974 12.198 8.672
188 H ASN 31 H ASN 31 -3.824 10.623 7.180
189 HA ASN 31 HA ASN 31 -5.721 9.851 9.299
190 HB2 ASN 31 1HB ASN 31 -6.215 12.058 8.158
191 HB3 ASN 31 2HB ASN 31 -6.485 11.143 6.678
192 HD21 ASN 31 1HD2 ASN 31 -7.765 12.123 9.688
193 HD22 ASN 31 2HD2 ASN 31 -9.303 11.349 9.544
194 H TRP 32 H TRP 32 -5.254 7.653 9.090
195 HA TRP 32 HA TRP 32 -5.140 6.237 6.672
196 HB2 TRP 32 1HB TRP 32 -5.851 5.330 9.466
197 HB3 TRP 32 2HB TRP 32 -5.627 4.226 8.112
198 HD1 TRP 32 HD1 TRP 32 -3.727 6.095 10.739
199 HE1 TRP 32 HE1 TRP 32 -1.203 5.683 10.451
200 HE3 TRP 32 HE3 TRP 32 -3.789 3.852 6.145
201 HZ2 TRP 32 HZ2 TRP 32 0.533 4.556 8.531
202 HZ3 TRP 32 HZ3 TRP 32 -1.654 3.137 5.153
203 HH2 TRP 32 HH2 TRP 32 0.461 3.483 6.323
204 H ALA 33 H ALA 33 -7.846 6.999 8.807
205 HA ALA 33 HA ALA 33 -9.859 5.426 7.919
206 HB1 ALA 33 3HB ALA 33 -9.702 8.134 8.997
207 HB2 ALA 33 1HB ALA 33 -11.144 7.840 8.025
208 HB3 ALA 33 2HB ALA 33 -10.789 6.808 9.411
209 H ASP 34 H ASP 34 -8.595 8.284 6.256
210 HA ASP 34 HA ASP 34 -10.472 8.135 4.103
211 HB2 ASP 34 1HB ASP 34 -7.934 9.684 4.566
212 HB3 ASP 34 2HB ASP 34 -8.757 9.728 3.009
213 H ILE 35 H ILE 35 -7.107 7.136 4.558
214 HA ILE 35 HA ILE 35 -6.559 6.311 1.950
215 HB ILE 35 HB ILE 35 -5.510 5.150 4.534
216 HG12 ILE 35 1HG1 ILE 35 -4.126 7.114 2.718
217 HG13 ILE 35 2HG1 ILE 35 -5.190 7.650 4.014
218 HG21 ILE 35 1HG2 ILE 35 -5.267 4.063 2.030
219 HG22 ILE 35 2HG2 ILE 35 -3.800 5.030 2.175
220 HG23 ILE 35 3HG2 ILE 35 -4.162 3.792 3.377
221 HD11 ILE 35 3HD1 ILE 35 -2.457 6.921 4.145
222 HD12 ILE 35 1HD1 ILE 35 -3.510 7.498 5.436
223 HD13 ILE 35 2HD1 ILE 35 -3.383 5.770 5.107
224 H ALA 36 H ALA 36 -8.009 4.535 4.650
225 HA ALA 36 HA ALA 36 -8.116 1.988 3.655
226 HB1 ALA 36 3HB ALA 36 -8.974 2.868 5.885
227 HB2 ALA 36 1HB ALA 36 -10.480 3.223 5.037
228 HB3 ALA 36 2HB ALA 36 -9.890 1.563 5.133
229 H ASP 37 H ASP 37 -10.461 4.591 3.032
230 HA ASP 37 HA ASP 37 -12.073 3.050 1.275
231 HB2 ASP 37 1HB ASP 37 -12.706 5.194 2.536
232 HB3 ASP 37 2HB ASP 37 -11.883 6.057 1.240
233 H TYR 38 H TYR 38 -9.090 4.683 0.894
234 HA TYR 38 HA TYR 38 -9.325 5.035 -1.965
235 HB2 TYR 38 1HB TYR 38 -7.952 6.488 -0.336
236 HB3 TYR 38 2HB TYR 38 -6.761 5.194 -0.397
237 HD1 TYR 38 HD2 TYR 38 -8.437 7.830 -2.337
238 HD2 TYR 38 HD1 TYR 38 -5.407 4.843 -2.353
239 HE1 TYR 38 HE2 TYR 38 -7.505 8.794 -4.399
240 HE2 TYR 38 HE1 TYR 38 -4.466 5.800 -4.414
241 HH TYR 38 HH TYR 38 -5.955 7.647 -6.431
242 H VAL 39 H VAL 39 -7.724 2.822 0.270
243 HA VAL 39 HA VAL 39 -6.447 1.332 -1.842
244 HB VAL 39 HB VAL 39 -6.750 0.687 1.095
245 HG11 VAL 39 1HG1 VAL 39 -6.231 -1.133 -0.805
246 HG12 VAL 39 2HG1 VAL 39 -4.597 -0.527 -0.523
247 HG13 VAL 39 3HG1 VAL 39 -5.533 -1.199 0.813
248 HG21 VAL 39 3HG2 VAL 39 -5.448 2.746 0.539
249 HG22 VAL 39 1HG2 VAL 39 -4.512 1.495 1.356
250 HG23 VAL 39 2HG2 VAL 39 -4.338 1.732 -0.383
251 H GLY 40 H GLY 40 -8.587 0.131 0.740
252 HA2 GLY 40 1HA GLY 40 -10.481 -1.195 0.606
253 HA3 GLY 40 2HA GLY 40 -10.446 -1.005 -1.141
254 H ASN 41 H ASN 41 -10.259 -2.880 -2.151
255 HA ASN 41 HA ASN 41 -9.837 -5.100 -2.513
256 HB2 ASN 41 1HB ASN 41 -7.088 -4.629 -1.412
257 HB3 ASN 41 2HB ASN 41 -7.575 -5.553 -2.830
258 HD21 ASN 41 1HD2 ASN 41 -6.126 -2.791 -1.828
259 HD22 ASN 41 2HD2 ASN 41 -6.345 -1.817 -3.238
260 H ALA 42 H ALA 42 -11.205 -4.964 -0.230
261 HA ALA 42 HA ALA 42 -11.742 -6.168 1.627
262 HB1 ALA 42 3HB ALA 42 -10.066 -8.212 2.004
263 HB2 ALA 42 1HB ALA 42 -11.349 -8.238 0.794
264 HB3 ALA 42 2HB ALA 42 -9.694 -7.855 0.318
265 H ARG 43 H ARG 43 -9.869 -3.916 1.740
266 HA ARG 43 HA ARG 43 -8.501 -4.613 4.255
267 HB2 ARG 43 1HB ARG 43 -7.565 -2.506 2.307
268 HB3 ARG 43 2HB ARG 43 -6.713 -3.115 3.720
269 HG2 ARG 43 1HG ARG 43 -7.377 -4.764 1.291
270 HG3 ARG 43 2HG ARG 43 -5.828 -3.966 1.573
271 HD2 ARG 43 1HD ARG 43 -5.402 -5.304 3.497
272 HD3 ARG 43 2HD ARG 43 -7.044 -5.946 3.487
273 HE ARG 43 HE ARG 43 -5.527 -6.516 1.104
274 HH11 ARG 43 1HH1 ARG 43 -6.371 -7.573 4.312
275 HH12 ARG 43 2HH1 ARG 43 -6.010 -9.238 3.999
276 HH21 ARG 43 1HH2 ARG 43 -5.049 -8.706 0.680
277 HH22 ARG 43 2HH2 ARG 43 -5.258 -9.882 1.933
278 H THR 44 H THR 44 -7.981 -2.520 5.528
279 HA THR 44 HA THR 44 -9.979 -0.433 5.234
280 HB THR 44 HB THR 44 -10.825 -0.657 7.532
281 HG1 THR 44 HG1 THR 44 -8.824 -2.481 7.690
282 HG21 THR 44 3HG2 THR 44 -12.114 -2.809 7.183
283 HG22 THR 44 1HG2 THR 44 -11.157 -3.043 5.721
284 HG23 THR 44 2HG2 THR 44 -12.210 -1.635 5.870
285 H LYS 45 H LYS 45 -9.756 0.952 7.481
286 HA LYS 45 HA LYS 45 -7.198 2.130 7.317
287 HB2 LYS 45 1HB LYS 45 -7.946 3.439 9.319
288 HB3 LYS 45 2HB LYS 45 -9.061 3.488 7.960
289 HG2 LYS 45 1HG LYS 45 -10.433 1.762 9.060
290 HG3 LYS 45 2HG LYS 45 -9.338 1.807 10.443
291 HD2 LYS 45 1HD LYS 45 -10.032 3.912 11.091
292 HD3 LYS 45 2HD LYS 45 -10.590 4.340 9.472
293 HE2 LYS 45 1HE LYS 45 -12.284 2.364 9.920
294 HE3 LYS 45 2HE LYS 45 -11.946 2.764 11.603
295 HZ1 LYS 45 3HZ LYS 45 -13.823 4.019 10.918
296 HZ2 LYS 45 1HZ LYS 45 -13.046 4.563 9.516
297 HZ3 LYS 45 2HZ LYS 45 -12.528 5.102 11.034
298 H GLU 46 H GLU 46 -8.661 -0.072 9.666
299 HA GLU 46 HA GLU 46 -6.514 -0.044 11.506
300 HB2 GLU 46 1HB GLU 46 -8.699 -2.059 10.987
301 HB3 GLU 46 2HB GLU 46 -7.531 -2.226 12.289
302 HG2 GLU 46 1HG GLU 46 -9.337 0.155 11.967
303 HG3 GLU 46 2HG GLU 46 -9.731 -1.253 12.952
304 H GLU 47 H GLU 47 -7.214 -1.974 8.653
305 HA GLU 47 HA GLU 47 -4.965 -3.737 9.097
306 HB2 GLU 47 1HB GLU 47 -7.043 -3.469 6.946
307 HB3 GLU 47 2HB GLU 47 -5.620 -4.470 6.692
308 HG2 GLU 47 1HG GLU 47 -6.235 -5.991 8.321
309 HG3 GLU 47 2HG GLU 47 -7.304 -4.846 9.128
310 H CYS 48 H CYS 48 -5.847 -1.627 6.357
311 HA CYS 48 HA CYS 48 -3.497 -1.571 5.005
312 HB2 CYS 48 1HB CYS 48 -5.320 0.788 5.520
313 HB3 CYS 48 2HB CYS 48 -4.098 0.719 4.256
314 HG CYS 48 HG CYS 48 -7.200 -0.336 4.188
315 H ARG 49 H ARG 49 -4.287 0.305 7.893
316 HA ARG 49 HA ARG 49 -2.041 1.950 7.976
317 HB2 ARG 49 1HB ARG 49 -3.911 2.335 9.450
318 HB3 ARG 49 2HB ARG 49 -3.675 0.775 10.228
319 HG2 ARG 49 1HG ARG 49 -1.650 1.500 11.245
320 HG3 ARG 49 2HG ARG 49 -1.640 2.988 10.295
321 HD2 ARG 49 1HD ARG 49 -2.473 3.757 12.291
322 HD3 ARG 49 2HD ARG 49 -3.966 3.368 11.437
323 HE ARG 49 HE ARG 49 -4.361 1.691 12.950
324 HH11 ARG 49 1HH1 ARG 49 -1.058 2.753 13.239
325 HH12 ARG 49 2HH1 ARG 49 -0.752 1.838 14.678
326 HH21 ARG 49 1HH2 ARG 49 -3.971 0.482 14.844
327 HH22 ARG 49 2HH2 ARG 49 -2.410 0.545 15.589
328 H ASP 50 H ASP 50 -2.467 -0.833 10.152
329 HA ASP 50 HA ASP 50 0.204 -1.090 10.855
330 HB2 ASP 50 1HB ASP 50 -2.088 -3.036 10.822
331 HB3 ASP 50 2HB ASP 50 -0.478 -3.551 11.318
332 H HIS 51 H HIS 51 -1.432 -2.098 7.979
333 HA HIS 51 HA HIS 51 0.346 -4.099 7.104
334 HB2 HIS 51 1HB HIS 51 -1.627 -4.091 5.899
335 HB3 HIS 51 2HB HIS 51 -1.668 -2.334 5.776
336 HD1 HIS 51 HD1 HIS 51 0.597 -5.109 4.465
337 HD2 HIS 51 HD2 HIS 51 -1.124 -1.522 3.267
338 HE1 HIS 51 HE1 HIS 51 1.303 -4.790 2.072
339 HE2 HIS 51 HE2 HIS 51 0.321 -2.572 1.396
340 H TYR 52 H TYR 52 0.329 -0.594 6.672
341 HA TYR 52 HA TYR 52 2.626 -0.592 4.951
342 HB2 TYR 52 1HB TYR 52 0.908 1.177 4.840
343 HB3 TYR 52 2HB TYR 52 1.343 1.692 6.466
344 HD1 TYR 52 HD2 TYR 52 3.972 2.176 6.740
345 HD2 TYR 52 HD1 TYR 52 1.799 2.376 3.087
346 HE1 TYR 52 HE2 TYR 52 5.682 3.680 5.811
347 HE2 TYR 52 HE1 TYR 52 3.504 3.879 2.148
348 HH TYR 52 HH TYR 52 6.116 4.263 2.688
349 H LEU 53 H LEU 53 2.034 -0.261 8.382
350 HA LEU 53 HA LEU 53 4.665 0.678 9.021
351 HB2 LEU 53 1HB LEU 53 2.442 -0.466 10.696
352 HB3 LEU 53 2HB LEU 53 3.975 0.085 11.368
353 HG LEU 53 HG LEU 53 2.160 1.891 9.787
354 HD11 LEU 53 1HD1 LEU 53 1.971 2.566 12.483
355 HD12 LEU 53 2HD1 LEU 53 1.760 0.816 12.431
356 HD13 LEU 53 3HD1 LEU 53 0.712 1.859 11.469
357 HD21 LEU 53 3HD2 LEU 53 3.430 3.651 10.736
358 HD22 LEU 53 1HD2 LEU 53 4.589 2.464 10.137
359 HD23 LEU 53 2HD2 LEU 53 4.236 2.558 11.862
360 H LYS 54 H LYS 54 3.490 -2.282 8.046
361 HA LYS 54 HA LYS 54 5.658 -3.729 9.420
362 HB2 LYS 54 1HB LYS 54 4.386 -5.703 9.341
363 HB3 LYS 54 2HB LYS 54 3.232 -4.456 9.794
364 HG2 LYS 54 1HG LYS 54 2.214 -4.462 7.701
365 HG3 LYS 54 2HG LYS 54 3.587 -5.263 6.933
366 HD2 LYS 54 1HD LYS 54 1.718 -6.806 7.191
367 HD3 LYS 54 2HD LYS 54 3.087 -7.310 8.185
368 HE2 LYS 54 1HE LYS 54 1.182 -7.560 9.550
369 HE3 LYS 54 2HE LYS 54 1.968 -6.080 10.098
370 HZ1 LYS 54 3HZ LYS 54 -0.632 -6.271 9.504
371 HZ2 LYS 54 1HZ LYS 54 -0.020 -5.718 8.027
372 HZ3 LYS 54 2HZ LYS 54 0.248 -4.827 9.439
373 H THR 55 H THR 55 4.158 -2.994 6.352
374 HA THR 55 HA THR 55 5.841 -4.786 4.846
375 HB THR 55 HB THR 55 3.987 -2.581 3.931
376 HG1 THR 55 HG1 THR 55 3.541 -5.316 3.484
377 HG21 THR 55 3HG2 THR 55 4.287 -3.317 1.708
378 HG22 THR 55 1HG2 THR 55 5.166 -4.758 2.219
379 HG23 THR 55 2HG2 THR 55 5.914 -3.168 2.372
380 H TYR 56 H TYR 56 5.618 -1.270 5.306
381 HA TYR 56 HA TYR 56 7.981 -0.782 3.731
382 HB2 TYR 56 1HB TYR 56 6.214 0.992 5.413
383 HB3 TYR 56 2HB TYR 56 7.667 1.587 4.616
384 HD1 TYR 56 HD1 TYR 56 4.556 -0.323 3.807
385 HD2 TYR 56 HD2 TYR 56 7.446 2.520 2.516
386 HE1 TYR 56 HE1 TYR 56 3.267 0.041 1.744
387 HE2 TYR 56 HE2 TYR 56 6.164 2.893 0.451
388 HH TYR 56 HH TYR 56 4.211 1.076 -0.855
389 H ILE 57 H ILE 57 7.196 0.020 7.118
390 HA ILE 57 HA ILE 57 9.872 0.424 7.892
391 HB ILE 57 HB ILE 57 7.499 -0.288 9.620
392 HG12 ILE 57 1HG1 ILE 57 7.124 1.754 8.340
393 HG13 ILE 57 2HG1 ILE 57 7.387 2.147 10.035
394 HG21 ILE 57 1HG2 ILE 57 10.263 0.681 10.275
395 HG22 ILE 57 2HG2 ILE 57 8.904 0.932 11.370
396 HG23 ILE 57 3HG2 ILE 57 9.393 -0.705 10.933
397 HD11 ILE 57 3HD1 ILE 57 8.704 3.721 9.085
398 HD12 ILE 57 1HD1 ILE 57 9.882 2.413 9.193
399 HD13 ILE 57 2HD1 ILE 57 9.057 2.734 7.667
400 H GLU 58 H GLU 58 7.721 -2.234 8.920
401 HA GLU 58 HA GLU 58 9.982 -3.855 9.668
402 HB2 GLU 58 1HB GLU 58 7.539 -3.736 10.683
403 HB3 GLU 58 2HB GLU 58 7.222 -4.974 9.476
404 HG2 GLU 58 1HG GLU 58 9.339 -5.119 11.611
405 HG3 GLU 58 2HG GLU 58 7.772 -5.926 11.659
Start of MODEL 19
1 H1 GLY 1 H GLY 1 2.565 -27.613 4.092
2 HA2 GLY 1 1HA GLY 1 4.969 -28.561 5.526
3 HA3 GLY 1 2HA GLY 1 3.758 -27.512 6.247
4 H SER 2 H SER 2 1.410 -28.623 5.751
5 HA SER 2 HA SER 2 1.539 -31.468 6.381
6 HB2 SER 2 1HB SER 2 0.365 -29.370 8.205
7 HB3 SER 2 2HB SER 2 -0.118 -31.064 8.288
8 HG SER 2 HG SER 2 1.941 -31.621 8.861
9 H SER 3 H SER 3 -0.382 -32.599 5.964
10 HA SER 3 HA SER 3 -1.834 -31.967 3.769
11 HB2 SER 3 1HB SER 3 -3.545 -33.556 4.533
12 HB3 SER 3 2HB SER 3 -1.925 -34.166 4.872
13 HG SER 3 HG SER 3 -2.448 -32.928 7.011
14 H GLY 4 H GLY 4 -3.757 -30.943 3.270
15 HA2 GLY 4 1HA GLY 4 -5.847 -29.987 4.407
16 HA3 GLY 4 2HA GLY 4 -4.683 -29.027 5.309
17 H SER 5 H SER 5 -6.393 -27.505 4.141
18 HA SER 5 HA SER 5 -5.108 -26.596 1.649
19 HB2 SER 5 1HB SER 5 -7.486 -27.552 1.461
20 HB3 SER 5 2HB SER 5 -8.007 -26.098 2.312
21 HG SER 5 HG SER 5 -6.778 -24.960 0.582
22 H SER 6 H SER 6 -4.193 -25.760 4.123
23 HA SER 6 HA SER 6 -5.398 -23.181 4.702
24 HB2 SER 6 1HB SER 6 -3.834 -23.061 6.550
25 HB3 SER 6 2HB SER 6 -4.569 -24.664 6.530
26 HG SER 6 HG SER 6 -2.401 -24.977 6.780
27 H GLY 7 H GLY 7 -4.925 -21.535 3.400
28 HA2 GLY 7 1HA GLY 7 -2.156 -21.317 2.391
29 HA3 GLY 7 2HA GLY 7 -3.565 -20.743 1.513
30 H PHE 8 H PHE 8 -1.260 -20.059 3.993
31 HA PHE 8 HA PHE 8 -2.542 -17.758 5.068
32 HB2 PHE 8 1HB PHE 8 0.412 -18.403 5.078
33 HB3 PHE 8 2HB PHE 8 -0.436 -17.315 6.172
34 HD1 PHE 8 HD1 PHE 8 0.034 -20.842 5.223
35 HD2 PHE 8 HD2 PHE 8 -1.580 -18.130 8.079
36 HE1 PHE 8 HE1 PHE 8 -0.340 -22.710 6.780
37 HE2 PHE 8 HE2 PHE 8 -1.956 -19.994 9.641
38 HZ PHE 8 HZ PHE 8 -1.334 -22.287 8.993
39 H ASP 9 H ASP 9 -3.168 -16.403 3.406
40 HA ASP 9 HA ASP 9 -1.240 -15.476 1.461
41 HB2 ASP 9 1HB ASP 9 -3.672 -15.849 0.934
42 HB3 ASP 9 2HB ASP 9 -4.042 -14.452 1.941
43 H GLU 10 H GLU 10 0.301 -14.506 2.874
44 HA GLU 10 HA GLU 10 -0.593 -12.033 4.187
45 HB2 GLU 10 1HB GLU 10 1.330 -12.160 5.573
46 HB3 GLU 10 2HB GLU 10 0.656 -13.782 5.518
47 HG2 GLU 10 1HG GLU 10 2.348 -14.140 3.584
48 HG3 GLU 10 2HG GLU 10 3.153 -12.730 4.272
49 H ASN 11 H ASN 11 -0.379 -12.026 1.399
50 HA ASN 11 HA ASN 11 1.782 -10.079 1.061
51 HB2 ASN 11 1HB ASN 11 1.201 -12.135 -1.067
52 HB3 ASN 11 2HB ASN 11 2.568 -11.029 -0.966
53 HD21 ASN 11 1HD2 ASN 11 1.453 -14.121 -0.321
54 HD22 ASN 11 2HD2 ASN 11 2.762 -14.666 0.666
55 H TRP 12 H TRP 12 1.170 -8.294 -0.004
56 HA TRP 12 HA TRP 12 -1.584 -8.080 -0.856
57 HB2 TRP 12 1HB TRP 12 0.678 -6.125 -0.535
58 HB3 TRP 12 2HB TRP 12 -0.805 -5.663 -1.366
59 HD1 TRP 12 HD1 TRP 12 -0.555 -7.795 1.855
60 HE1 TRP 12 HE1 TRP 12 -1.868 -6.589 3.711
61 HE3 TRP 12 HE3 TRP 12 -1.798 -3.528 -0.672
62 HZ2 TRP 12 HZ2 TRP 12 -3.249 -4.151 4.058
63 HZ3 TRP 12 HZ3 TRP 12 -3.117 -1.809 0.494
64 HH2 TRP 12 HH2 TRP 12 -3.827 -2.116 2.810
65 H GLY 13 H GLY 13 -1.668 -6.395 -2.915
66 HA2 GLY 13 1HA GLY 13 -0.164 -7.755 -5.065
67 HA3 GLY 13 2HA GLY 13 -1.869 -7.358 -5.221
68 H ALA 14 H ALA 14 0.662 -6.527 -6.688
69 HA ALA 14 HA ALA 14 1.540 -4.022 -6.390
70 HB1 ALA 14 3HB ALA 14 1.159 -3.820 -8.989
71 HB2 ALA 14 1HB ALA 14 2.321 -4.966 -8.319
72 HB3 ALA 14 2HB ALA 14 0.725 -5.521 -8.826
73 H ASP 15 H ASP 15 -1.718 -4.881 -7.415
74 HA ASP 15 HA ASP 15 -2.589 -2.290 -8.101
75 HB2 ASP 15 1HB ASP 15 -4.286 -4.545 -7.014
76 HB3 ASP 15 2HB ASP 15 -4.830 -3.187 -7.996
77 H GLU 16 H GLU 16 -3.657 -4.126 -5.240
78 HA GLU 16 HA GLU 16 -4.577 -1.889 -3.834
79 HB2 GLU 16 1HB GLU 16 -4.526 -3.374 -1.840
80 HB3 GLU 16 2HB GLU 16 -5.319 -4.100 -3.231
81 HG2 GLU 16 1HG GLU 16 -3.052 -5.192 -3.709
82 HG3 GLU 16 2HG GLU 16 -2.639 -4.735 -2.057
83 H GLU 17 H GLU 17 -1.406 -2.939 -4.430
84 HA GLU 17 HA GLU 17 -0.244 -1.753 -2.060
85 HB2 GLU 17 1HB GLU 17 0.911 -3.050 -4.521
86 HB3 GLU 17 2HB GLU 17 1.927 -2.249 -3.331
87 HG2 GLU 17 1HG GLU 17 0.647 -3.805 -1.655
88 HG3 GLU 17 2HG GLU 17 0.362 -4.767 -3.104
89 H LEU 18 H LEU 18 -0.394 -1.036 -5.530
90 HA LEU 18 HA LEU 18 1.182 1.283 -5.489
91 HB2 LEU 18 1HB LEU 18 0.855 0.597 -7.625
92 HB3 LEU 18 2HB LEU 18 -0.802 0.080 -7.320
93 HG LEU 18 HG LEU 18 -1.345 2.600 -7.254
94 HD11 LEU 18 1HD1 LEU 18 0.213 4.098 -7.787
95 HD12 LEU 18 2HD1 LEU 18 0.781 3.139 -9.154
96 HD13 LEU 18 3HD1 LEU 18 1.394 2.812 -7.533
97 HD21 LEU 18 3HD2 LEU 18 -0.550 1.873 -10.001
98 HD22 LEU 18 1HD2 LEU 18 -2.111 2.394 -9.368
99 HD23 LEU 18 2HD2 LEU 18 -1.589 0.722 -9.159
100 H LEU 19 H LEU 19 -2.258 0.783 -4.917
101 HA LEU 19 HA LEU 19 -2.981 3.520 -4.852
102 HB2 LEU 19 1HB LEU 19 -4.257 1.062 -3.675
103 HB3 LEU 19 2HB LEU 19 -4.983 2.665 -3.580
104 HG LEU 19 HG LEU 19 -4.343 1.253 -6.167
105 HD11 LEU 19 1HD1 LEU 19 -6.593 0.580 -6.315
106 HD12 LEU 19 2HD1 LEU 19 -7.062 1.555 -4.923
107 HD13 LEU 19 3HD1 LEU 19 -6.068 0.117 -4.696
108 HD21 LEU 19 3HD2 LEU 19 -5.273 3.914 -5.452
109 HD22 LEU 19 1HD2 LEU 19 -6.358 3.087 -6.570
110 HD23 LEU 19 2HD2 LEU 19 -4.658 3.302 -6.989
111 H LEU 20 H LEU 20 -2.223 1.189 -2.275
112 HA LEU 20 HA LEU 20 -2.652 2.675 -0.035
113 HB2 LEU 20 1HB LEU 20 -1.865 0.366 -0.009
114 HB3 LEU 20 2HB LEU 20 -0.280 0.893 -0.572
115 HG LEU 20 HG LEU 20 0.050 2.110 1.537
116 HD11 LEU 20 1HD1 LEU 20 -1.616 1.370 3.394
117 HD12 LEU 20 2HD1 LEU 20 -2.728 1.140 2.044
118 HD13 LEU 20 3HD1 LEU 20 -2.018 2.727 2.341
119 HD21 LEU 20 3HD2 LEU 20 -0.415 -0.267 2.901
120 HD22 LEU 20 1HD2 LEU 20 1.062 0.200 2.058
121 HD23 LEU 20 2HD2 LEU 20 -0.164 -0.756 1.224
122 H ILE 21 H ILE 21 0.328 2.705 -1.983
123 HA ILE 21 HA ILE 21 1.605 4.725 -0.459
124 HB ILE 21 HB ILE 21 2.103 3.867 -3.312
125 HG12 ILE 21 1HG1 ILE 21 3.735 3.156 -0.883
126 HG13 ILE 21 2HG1 ILE 21 2.353 2.183 -1.376
127 HG21 ILE 21 1HG2 ILE 21 3.008 6.158 -2.098
128 HG22 ILE 21 2HG2 ILE 21 4.328 5.021 -1.827
129 HG23 ILE 21 3HG2 ILE 21 3.768 5.348 -3.467
130 HD11 ILE 21 3HD1 ILE 21 4.578 1.368 -2.165
131 HD12 ILE 21 1HD1 ILE 21 3.382 1.622 -3.435
132 HD13 ILE 21 2HD1 ILE 21 4.668 2.802 -3.186
133 H ASP 22 H ASP 22 -0.131 4.816 -3.563
134 HA ASP 22 HA ASP 22 0.162 7.507 -4.147
135 HB2 ASP 22 1HB ASP 22 -1.841 5.420 -4.837
136 HB3 ASP 22 2HB ASP 22 -2.288 7.096 -5.147
137 H ALA 23 H ALA 23 -2.068 5.927 -1.941
138 HA ALA 23 HA ALA 23 -3.629 8.280 -1.440
139 HB1 ALA 23 3HB ALA 23 -4.736 6.978 0.252
140 HB2 ALA 23 1HB ALA 23 -4.510 5.976 -1.183
141 HB3 ALA 23 2HB ALA 23 -3.455 5.766 0.216
142 H CYS 24 H CYS 24 -0.989 6.602 0.218
143 HA CYS 24 HA CYS 24 -0.968 8.229 2.525
144 HB2 CYS 24 1HB CYS 24 1.294 6.655 1.275
145 HB3 CYS 24 2HB CYS 24 1.283 7.303 2.911
146 HG CYS 24 HG CYS 24 -1.331 5.665 3.099
147 H GLU 25 H GLU 25 0.337 8.636 -0.667
148 HA GLU 25 HA GLU 25 1.980 10.901 0.153
149 HB2 GLU 25 1HB GLU 25 2.782 10.925 -2.142
150 HB3 GLU 25 2HB GLU 25 2.887 9.298 -1.482
151 HG2 GLU 25 1HG GLU 25 0.616 8.912 -2.610
152 HG3 GLU 25 2HG GLU 25 0.978 10.379 -3.517
153 H THR 26 H THR 26 -0.808 10.203 -1.923
154 HA THR 26 HA THR 26 -1.220 12.932 -2.663
155 HB THR 26 HB THR 26 -3.018 10.514 -2.879
156 HG1 THR 26 HG1 THR 26 -1.914 11.900 -5.058
157 HG21 THR 26 3HG2 THR 26 -3.414 13.304 -3.963
158 HG22 THR 26 1HG2 THR 26 -4.413 12.493 -2.758
159 HG23 THR 26 2HG2 THR 26 -4.376 11.898 -4.418
160 H LEU 27 H LEU 27 -3.282 10.741 -0.739
161 HA LEU 27 HA LEU 27 -4.762 12.900 0.393
162 HB2 LEU 27 1HB LEU 27 -4.599 10.028 1.293
163 HB3 LEU 27 2HB LEU 27 -5.835 11.197 1.754
164 HG LEU 27 HG LEU 27 -5.401 10.155 -1.044
165 HD11 LEU 27 1HD1 LEU 27 -7.556 8.971 -0.627
166 HD12 LEU 27 2HD1 LEU 27 -7.398 9.395 1.077
167 HD13 LEU 27 3HD1 LEU 27 -6.195 8.357 0.312
168 HD21 LEU 27 3HD2 LEU 27 -7.795 11.630 -0.001
169 HD22 LEU 27 1HD2 LEU 27 -7.308 11.346 -1.672
170 HD23 LEU 27 2HD2 LEU 27 -6.404 12.483 -0.672
171 H GLY 28 H GLY 28 -2.234 10.728 1.620
172 HA2 GLY 28 1HA GLY 28 -0.523 11.607 3.081
173 HA3 GLY 28 2HA GLY 28 -1.725 12.701 3.750
174 H LEU 29 H LEU 29 0.082 10.660 4.995
175 HA LEU 29 HA LEU 29 -1.623 8.570 5.961
176 HB2 LEU 29 1HB LEU 29 1.136 9.523 6.627
177 HB3 LEU 29 2HB LEU 29 0.329 8.334 7.647
178 HG LEU 29 HG LEU 29 0.595 7.842 4.708
179 HD11 LEU 29 1HD1 LEU 29 2.816 8.435 6.155
180 HD12 LEU 29 2HD1 LEU 29 2.780 7.349 4.766
181 HD13 LEU 29 3HD1 LEU 29 2.694 6.692 6.400
182 HD21 LEU 29 3HD2 LEU 29 -0.366 6.429 6.988
183 HD22 LEU 29 1HD2 LEU 29 1.029 5.571 6.333
184 HD23 LEU 29 2HD2 LEU 29 -0.353 5.926 5.297
185 H GLY 30 H GLY 30 -1.884 11.704 6.491
186 HA2 GLY 30 1HA GLY 30 -1.839 12.089 9.263
187 HA3 GLY 30 2HA GLY 30 -2.835 12.993 8.133
188 H ASN 31 H ASN 31 -4.298 10.668 7.194
189 HA ASN 31 HA ASN 31 -5.681 9.707 9.576
190 HB2 ASN 31 1HB ASN 31 -6.722 11.904 8.724
191 HB3 ASN 31 2HB ASN 31 -7.284 10.954 7.352
192 HD21 ASN 31 1HD2 ASN 31 -9.135 12.153 8.844
193 HD22 ASN 31 2HD2 ASN 31 -9.988 11.010 9.820
194 H TRP 32 H TRP 32 -5.444 7.581 9.252
195 HA TRP 32 HA TRP 32 -5.268 6.304 6.762
196 HB2 TRP 32 1HB TRP 32 -6.013 5.215 9.482
197 HB3 TRP 32 2HB TRP 32 -5.709 4.206 8.070
198 HD1 TRP 32 HD1 TRP 32 -3.938 6.162 10.776
199 HE1 TRP 32 HE1 TRP 32 -1.400 5.782 10.578
200 HE3 TRP 32 HE3 TRP 32 -3.827 3.755 6.267
201 HZ2 TRP 32 HZ2 TRP 32 0.409 4.616 8.752
202 HZ3 TRP 32 HZ3 TRP 32 -1.653 3.040 5.365
203 HH2 TRP 32 HH2 TRP 32 0.421 3.463 6.583
204 H ALA 33 H ALA 33 -8.016 7.006 8.837
205 HA ALA 33 HA ALA 33 -10.007 5.425 7.929
206 HB1 ALA 33 3HB ALA 33 -9.945 8.279 8.750
207 HB2 ALA 33 1HB ALA 33 -11.430 7.650 8.036
208 HB3 ALA 33 2HB ALA 33 -10.766 6.905 9.490
209 H ASP 34 H ASP 34 -8.724 8.265 6.243
210 HA ASP 34 HA ASP 34 -10.536 8.002 4.032
211 HB2 ASP 34 1HB ASP 34 -7.976 9.605 4.198
212 HB3 ASP 34 2HB ASP 34 -9.272 9.813 3.024
213 H ILE 35 H ILE 35 -7.102 7.297 4.577
214 HA ILE 35 HA ILE 35 -6.396 6.467 2.032
215 HB ILE 35 HB ILE 35 -5.427 5.343 4.662
216 HG12 ILE 35 1HG1 ILE 35 -4.262 7.515 2.906
217 HG13 ILE 35 2HG1 ILE 35 -5.150 7.796 4.400
218 HG21 ILE 35 1HG2 ILE 35 -3.637 5.347 2.335
219 HG22 ILE 35 2HG2 ILE 35 -3.883 4.122 3.579
220 HG23 ILE 35 3HG2 ILE 35 -5.004 4.238 2.223
221 HD11 ILE 35 3HD1 ILE 35 -2.544 7.784 4.374
222 HD12 ILE 35 1HD1 ILE 35 -3.430 7.062 5.717
223 HD13 ILE 35 2HD1 ILE 35 -2.754 6.034 4.453
224 H ALA 36 H ALA 36 -8.012 4.669 4.601
225 HA ALA 36 HA ALA 36 -7.907 2.114 3.475
226 HB1 ALA 36 3HB ALA 36 -9.945 3.380 5.293
227 HB2 ALA 36 1HB ALA 36 -9.950 1.670 4.860
228 HB3 ALA 36 2HB ALA 36 -8.584 2.353 5.743
229 H ASP 37 H ASP 37 -10.502 4.549 3.253
230 HA ASP 37 HA ASP 37 -12.153 3.099 1.513
231 HB2 ASP 37 1HB ASP 37 -12.780 5.160 2.834
232 HB3 ASP 37 2HB ASP 37 -11.930 6.110 1.618
233 H TYR 38 H TYR 38 -9.256 4.889 0.948
234 HA TYR 38 HA TYR 38 -9.694 5.154 -1.900
235 HB2 TYR 38 1HB TYR 38 -8.411 6.837 -0.558
236 HB3 TYR 38 2HB TYR 38 -7.151 5.628 -0.334
237 HD1 TYR 38 HD1 TYR 38 -5.795 4.879 -2.254
238 HD2 TYR 38 HD2 TYR 38 -8.656 8.005 -2.637
239 HE1 TYR 38 HE1 TYR 38 -4.755 5.563 -4.375
240 HE2 TYR 38 HE2 TYR 38 -7.624 8.697 -4.760
241 HH TYR 38 HH TYR 38 -5.495 6.802 -6.473
242 H VAL 39 H VAL 39 -7.837 3.114 0.291
243 HA VAL 39 HA VAL 39 -6.548 1.685 -1.865
244 HB VAL 39 HB VAL 39 -6.605 1.153 1.108
245 HG11 VAL 39 1HG1 VAL 39 -4.630 -0.329 0.559
246 HG12 VAL 39 2HG1 VAL 39 -6.214 -0.939 0.076
247 HG13 VAL 39 3HG1 VAL 39 -5.137 -0.227 -1.127
248 HG21 VAL 39 3HG2 VAL 39 -4.262 1.953 1.002
249 HG22 VAL 39 1HG2 VAL 39 -4.516 2.377 -0.691
250 HG23 VAL 39 2HG2 VAL 39 -5.437 3.195 0.571
251 H GLY 40 H GLY 40 -8.467 0.437 0.869
252 HA2 GLY 40 1HA GLY 40 -10.147 -1.133 0.939
253 HA3 GLY 40 2HA GLY 40 -10.394 -0.852 -0.778
254 H ASN 41 H ASN 41 -10.256 -2.680 -1.881
255 HA ASN 41 HA ASN 41 -9.626 -4.760 -2.558
256 HB2 ASN 41 1HB ASN 41 -6.876 -4.244 -1.475
257 HB3 ASN 41 2HB ASN 41 -7.349 -5.060 -2.962
258 HD21 ASN 41 1HD2 ASN 41 -6.161 -2.250 -1.653
259 HD22 ASN 41 2HD2 ASN 41 -6.422 -1.194 -2.995
260 H ALA 42 H ALA 42 -10.941 -4.946 -0.255
261 HA ALA 42 HA ALA 42 -11.368 -6.385 1.458
262 HB1 ALA 42 3HB ALA 42 -10.823 -8.364 0.554
263 HB2 ALA 42 1HB ALA 42 -9.297 -7.760 -0.094
264 HB3 ALA 42 2HB ALA 42 -9.402 -8.262 1.594
265 H ARG 43 H ARG 43 -9.679 -4.006 1.786
266 HA ARG 43 HA ARG 43 -8.260 -4.824 4.236
267 HB2 ARG 43 1HB ARG 43 -7.474 -2.485 2.499
268 HB3 ARG 43 2HB ARG 43 -6.577 -3.173 3.846
269 HG2 ARG 43 1HG ARG 43 -7.138 -4.605 1.258
270 HG3 ARG 43 2HG ARG 43 -5.642 -3.748 1.635
271 HD2 ARG 43 1HD ARG 43 -5.072 -5.267 3.332
272 HD3 ARG 43 2HD ARG 43 -6.706 -5.927 3.404
273 HE ARG 43 HE ARG 43 -5.460 -6.326 0.859
274 HH11 ARG 43 1HH1 ARG 43 -5.728 -7.558 4.104
275 HH12 ARG 43 2HH1 ARG 43 -5.307 -9.180 3.662
276 HH21 ARG 43 1HH2 ARG 43 -4.904 -8.457 0.265
277 HH22 ARG 43 2HH2 ARG 43 -4.838 -9.690 1.478
278 H THR 44 H THR 44 -7.744 -2.525 5.442
279 HA THR 44 HA THR 44 -9.865 -0.625 5.384
280 HB THR 44 HB THR 44 -11.125 -2.426 6.441
281 HG1 THR 44 HG1 THR 44 -10.353 -0.310 8.186
282 HG21 THR 44 3HG2 THR 44 -9.101 -2.358 8.675
283 HG22 THR 44 1HG2 THR 44 -9.105 -3.577 7.402
284 HG23 THR 44 2HG2 THR 44 -10.478 -3.446 8.501
285 H LYS 45 H LYS 45 -9.637 1.027 7.044
286 HA LYS 45 HA LYS 45 -7.199 2.096 7.369
287 HB2 LYS 45 1HB LYS 45 -8.029 3.253 9.390
288 HB3 LYS 45 2HB LYS 45 -9.204 3.258 8.081
289 HG2 LYS 45 1HG LYS 45 -10.420 1.437 9.153
290 HG3 LYS 45 2HG LYS 45 -9.234 1.410 10.460
291 HD2 LYS 45 1HD LYS 45 -9.992 3.375 11.371
292 HD3 LYS 45 2HD LYS 45 -10.597 3.982 9.828
293 HE2 LYS 45 1HE LYS 45 -12.236 1.913 10.094
294 HE3 LYS 45 2HE LYS 45 -11.879 2.168 11.801
295 HZ1 LYS 45 3HZ LYS 45 -12.460 4.621 10.476
296 HZ2 LYS 45 1HZ LYS 45 -13.189 3.942 11.844
297 HZ3 LYS 45 2HZ LYS 45 -13.732 3.519 10.299
298 H GLU 46 H GLU 46 -8.657 -0.208 9.652
299 HA GLU 46 HA GLU 46 -6.590 -0.296 11.511
300 HB2 GLU 46 1HB GLU 46 -8.546 -2.427 10.649
301 HB3 GLU 46 2HB GLU 46 -7.448 -2.622 12.007
302 HG2 GLU 46 1HG GLU 46 -8.467 -0.762 13.154
303 HG3 GLU 46 2HG GLU 46 -9.506 -0.441 11.767
304 H GLU 47 H GLU 47 -7.005 -2.076 8.490
305 HA GLU 47 HA GLU 47 -4.568 -3.584 8.890
306 HB2 GLU 47 1HB GLU 47 -6.613 -3.442 6.691
307 HB3 GLU 47 2HB GLU 47 -5.090 -4.288 6.458
308 HG2 GLU 47 1HG GLU 47 -5.588 -5.864 8.132
309 HG3 GLU 47 2HG GLU 47 -6.929 -4.900 8.747
310 H CYS 48 H CYS 48 -5.654 -1.481 6.220
311 HA CYS 48 HA CYS 48 -3.332 -1.063 4.911
312 HB2 CYS 48 1HB CYS 48 -5.622 0.779 5.489
313 HB3 CYS 48 2HB CYS 48 -4.222 1.387 4.615
314 HG CYS 48 HG CYS 48 -5.602 -1.473 3.467
315 H ARG 49 H ARG 49 -4.193 0.240 8.033
316 HA ARG 49 HA ARG 49 -2.112 2.173 8.182
317 HB2 ARG 49 1HB ARG 49 -4.031 2.410 9.610
318 HB3 ARG 49 2HB ARG 49 -3.767 0.820 10.314
319 HG2 ARG 49 1HG ARG 49 -1.917 1.540 11.543
320 HG3 ARG 49 2HG ARG 49 -1.725 2.996 10.565
321 HD2 ARG 49 1HD ARG 49 -2.659 3.703 12.617
322 HD3 ARG 49 2HD ARG 49 -3.976 3.730 11.444
323 HE ARG 49 HE ARG 49 -5.004 2.011 12.587
324 HH11 ARG 49 1HH1 ARG 49 -1.782 2.503 13.811
325 HH12 ARG 49 2HH1 ARG 49 -2.012 1.487 15.195
326 HH21 ARG 49 1HH2 ARG 49 -5.319 0.671 14.406
327 HH22 ARG 49 2HH2 ARG 49 -4.025 0.445 15.532
328 H ASP 50 H ASP 50 -2.472 -0.851 10.043
329 HA ASP 50 HA ASP 50 0.210 -0.945 10.875
330 HB2 ASP 50 1HB ASP 50 -1.934 -3.058 10.687
331 HB3 ASP 50 2HB ASP 50 -0.326 -3.405 11.319
332 H HIS 51 H HIS 51 -1.454 -2.767 8.304
333 HA HIS 51 HA HIS 51 0.463 -4.360 7.313
334 HB2 HIS 51 1HB HIS 51 -1.638 -4.302 6.201
335 HB3 HIS 51 2HB HIS 51 -1.454 -2.599 5.788
336 HD1 HIS 51 HD1 HIS 51 0.368 -5.857 5.018
337 HD2 HIS 51 HD2 HIS 51 -0.662 -2.249 3.233
338 HE1 HIS 51 HE1 HIS 51 1.182 -6.024 2.644
339 HE2 HIS 51 HE2 HIS 51 0.623 -3.798 1.608
340 H TYR 52 H TYR 52 0.272 -0.870 6.739
341 HA TYR 52 HA TYR 52 2.559 -0.765 5.049
342 HB2 TYR 52 1HB TYR 52 0.803 0.968 5.026
343 HB3 TYR 52 2HB TYR 52 1.259 1.445 6.658
344 HD1 TYR 52 HD2 TYR 52 3.874 1.994 6.899
345 HD2 TYR 52 HD1 TYR 52 1.636 2.229 3.288
346 HE1 TYR 52 HE2 TYR 52 5.530 3.565 5.982
347 HE2 TYR 52 HE1 TYR 52 3.286 3.799 2.360
348 HH TYR 52 HH TYR 52 5.019 5.194 2.921
349 H LEU 53 H LEU 53 2.030 -0.272 8.505
350 HA LEU 53 HA LEU 53 4.694 0.577 9.059
351 HB2 LEU 53 1HB LEU 53 2.558 -0.539 10.869
352 HB3 LEU 53 2HB LEU 53 4.075 0.170 11.421
353 HG LEU 53 HG LEU 53 2.181 1.773 9.745
354 HD11 LEU 53 1HD1 LEU 53 0.671 2.031 11.357
355 HD12 LEU 53 2HD1 LEU 53 1.911 2.230 12.594
356 HD13 LEU 53 3HD1 LEU 53 1.385 0.613 12.126
357 HD21 LEU 53 3HD2 LEU 53 4.612 2.207 11.282
358 HD22 LEU 53 1HD2 LEU 53 3.329 3.344 11.695
359 HD23 LEU 53 2HD2 LEU 53 3.874 3.199 10.024
360 H LYS 54 H LYS 54 3.442 -2.386 8.196
361 HA LYS 54 HA LYS 54 5.431 -3.913 9.715
362 HB2 LYS 54 1HB LYS 54 3.189 -4.913 7.949
363 HB3 LYS 54 2HB LYS 54 4.223 -5.900 8.974
364 HG2 LYS 54 1HG LYS 54 3.283 -4.276 10.845
365 HG3 LYS 54 2HG LYS 54 1.949 -4.143 9.697
366 HD2 LYS 54 1HD LYS 54 2.989 -6.852 10.370
367 HD3 LYS 54 2HD LYS 54 1.977 -6.017 11.552
368 HE2 LYS 54 1HE LYS 54 0.284 -5.686 9.743
369 HE3 LYS 54 2HE LYS 54 1.272 -6.711 8.704
370 HZ1 LYS 54 3HZ LYS 54 -0.364 -8.093 9.643
371 HZ2 LYS 54 1HZ LYS 54 -0.130 -7.471 11.199
372 HZ3 LYS 54 2HZ LYS 54 1.057 -8.445 10.491
373 H THR 55 H THR 55 4.475 -3.068 6.438
374 HA THR 55 HA THR 55 6.616 -4.656 5.280
375 HB THR 55 HB THR 55 4.556 -2.849 4.005
376 HG1 THR 55 HG1 THR 55 4.753 -5.612 3.555
377 HG21 THR 55 3HG2 THR 55 5.932 -2.770 2.242
378 HG22 THR 55 1HG2 THR 55 5.608 -4.491 2.039
379 HG23 THR 55 2HG2 THR 55 7.025 -3.962 2.946
380 H TYR 56 H TYR 56 5.666 -1.218 5.309
381 HA TYR 56 HA TYR 56 8.135 -0.345 4.175
382 HB2 TYR 56 1HB TYR 56 5.973 1.205 5.615
383 HB3 TYR 56 2HB TYR 56 7.313 1.928 4.734
384 HD1 TYR 56 HD1 TYR 56 4.352 -0.279 4.310
385 HD2 TYR 56 HD2 TYR 56 7.145 2.323 2.431
386 HE1 TYR 56 HE1 TYR 56 3.023 -0.356 2.241
387 HE2 TYR 56 HE2 TYR 56 5.824 2.254 0.358
388 HH TYR 56 HH TYR 56 2.670 0.977 0.229
389 H ILE 57 H ILE 57 6.744 0.433 7.366
390 HA ILE 57 HA ILE 57 9.147 1.313 8.500
391 HB ILE 57 HB ILE 57 6.581 0.325 9.708
392 HG12 ILE 57 1HG1 ILE 57 6.359 2.665 10.387
393 HG13 ILE 57 2HG1 ILE 57 7.952 3.023 9.730
394 HG21 ILE 57 1HG2 ILE 57 9.168 0.903 11.071
395 HG22 ILE 57 2HG2 ILE 57 7.659 1.350 11.864
396 HG23 ILE 57 3HG2 ILE 57 7.959 -0.331 11.425
397 HD11 ILE 57 3HD1 ILE 57 6.196 3.778 8.240
398 HD12 ILE 57 1HD1 ILE 57 7.145 2.494 7.490
399 HD13 ILE 57 2HD1 ILE 57 5.549 2.140 8.151
400 H GLU 58 H GLU 58 7.434 -1.722 9.281
401 HA GLU 58 HA GLU 58 9.992 -2.876 10.120
402 HB2 GLU 58 1HB GLU 58 7.123 -3.512 10.701
403 HB3 GLU 58 2HB GLU 58 8.346 -4.759 10.903
404 HG2 GLU 58 1HG GLU 58 8.652 -2.073 12.185
405 HG3 GLU 58 2HG GLU 58 7.686 -3.343 12.935
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -5.579 -18.810 -15.563
2 HA2 GLY 1 1HA GLY 1 -6.423 -20.675 -14.342
3 HA3 GLY 1 2HA GLY 1 -4.796 -21.147 -14.809
4 H SER 2 H SER 2 -4.230 -22.398 -13.104
5 HA SER 2 HA SER 2 -4.864 -22.261 -10.485
6 HB2 SER 2 1HB SER 2 -2.240 -22.974 -11.782
7 HB3 SER 2 2HB SER 2 -2.469 -23.107 -10.039
8 HG SER 2 HG SER 2 -2.989 -24.976 -11.601
9 H SER 3 H SER 3 -4.900 -20.630 -9.102
10 HA SER 3 HA SER 3 -3.362 -18.259 -9.453
11 HB2 SER 3 1HB SER 3 -4.498 -17.416 -7.557
12 HB3 SER 3 2HB SER 3 -5.663 -18.482 -8.342
13 HG SER 3 HG SER 3 -4.069 -19.041 -6.065
14 H GLY 4 H GLY 4 -1.466 -17.652 -8.580
15 HA2 GLY 4 1HA GLY 4 -0.162 -19.576 -6.757
16 HA3 GLY 4 2HA GLY 4 0.694 -18.569 -7.916
17 H SER 5 H SER 5 1.369 -16.577 -7.322
18 HA SER 5 HA SER 5 2.104 -15.010 -5.820
19 HB2 SER 5 1HB SER 5 0.270 -13.680 -4.823
20 HB3 SER 5 2HB SER 5 -0.026 -14.040 -6.524
21 HG SER 5 HG SER 5 -1.365 -14.913 -4.259
22 H SER 6 H SER 6 2.473 -17.552 -4.798
23 HA SER 6 HA SER 6 1.556 -17.461 -2.023
24 HB2 SER 6 1HB SER 6 3.114 -19.619 -3.468
25 HB3 SER 6 2HB SER 6 2.417 -19.744 -1.853
26 HG SER 6 HG SER 6 0.765 -20.506 -2.920
27 H GLY 7 H GLY 7 2.765 -16.251 -0.713
28 HA2 GLY 7 1HA GLY 7 5.530 -16.877 -0.312
29 HA3 GLY 7 2HA GLY 7 5.320 -15.321 -1.102
30 H PHE 8 H PHE 8 6.124 -16.403 1.712
31 HA PHE 8 HA PHE 8 4.297 -15.480 3.602
32 HB2 PHE 8 1HB PHE 8 7.289 -15.788 3.635
33 HB3 PHE 8 2HB PHE 8 6.430 -15.141 5.029
34 HD1 PHE 8 HD1 PHE 8 6.884 -18.099 2.892
35 HD2 PHE 8 HD2 PHE 8 5.150 -16.548 6.456
36 HE1 PHE 8 HE1 PHE 8 6.404 -20.389 3.650
37 HE2 PHE 8 HE2 PHE 8 4.668 -18.836 7.221
38 HZ PHE 8 HZ PHE 8 5.296 -20.761 5.818
39 H ASP 9 H ASP 9 6.704 -13.756 1.722
40 HA ASP 9 HA ASP 9 6.213 -11.272 3.152
41 HB2 ASP 9 1HB ASP 9 8.467 -11.440 2.589
42 HB3 ASP 9 2HB ASP 9 8.123 -12.134 1.006
43 H GLU 10 H GLU 10 5.630 -12.686 -0.034
44 HA GLU 10 HA GLU 10 4.318 -10.311 -1.015
45 HB2 GLU 10 1HB GLU 10 5.589 -11.766 -2.536
46 HB3 GLU 10 2HB GLU 10 4.481 -13.089 -2.196
47 HG2 GLU 10 1HG GLU 10 3.353 -10.542 -3.221
48 HG3 GLU 10 2HG GLU 10 4.232 -11.583 -4.340
49 H ASN 11 H ASN 11 2.613 -9.998 0.444
50 HA ASN 11 HA ASN 11 0.517 -12.060 0.442
51 HB2 ASN 11 1HB ASN 11 0.927 -9.705 2.300
52 HB3 ASN 11 2HB ASN 11 -0.395 -10.864 2.410
53 HD21 ASN 11 1HD2 ASN 11 1.110 -10.541 4.577
54 HD22 ASN 11 2HD2 ASN 11 2.154 -11.895 4.824
55 H TRP 12 H TRP 12 0.883 -8.518 0.287
56 HA TRP 12 HA TRP 12 -1.773 -8.130 -0.707
57 HB2 TRP 12 1HB TRP 12 0.612 -6.346 -0.313
58 HB3 TRP 12 2HB TRP 12 -0.800 -5.769 -1.194
59 HD1 TRP 12 HD1 TRP 12 -0.821 -7.921 2.024
60 HE1 TRP 12 HE1 TRP 12 -2.109 -6.626 3.838
61 HE3 TRP 12 HE3 TRP 12 -1.667 -3.573 -0.529
62 HZ2 TRP 12 HZ2 TRP 12 -3.324 -4.097 4.145
63 HZ3 TRP 12 HZ3 TRP 12 -2.901 -1.766 0.596
64 HH2 TRP 12 HH2 TRP 12 -3.712 -2.024 2.885
65 H GLY 13 H GLY 13 -1.763 -6.473 -2.757
66 HA2 GLY 13 1HA GLY 13 -0.238 -7.834 -4.889
67 HA3 GLY 13 2HA GLY 13 -1.950 -7.478 -5.067
68 H ALA 14 H ALA 14 0.511 -6.598 -6.563
69 HA ALA 14 HA ALA 14 1.390 -4.097 -6.278
70 HB1 ALA 14 3HB ALA 14 2.000 -5.254 -8.238
71 HB2 ALA 14 1HB ALA 14 0.326 -5.379 -8.780
72 HB3 ALA 14 2HB ALA 14 1.141 -3.814 -8.785
73 H ASP 15 H ASP 15 -1.901 -4.937 -7.236
74 HA ASP 15 HA ASP 15 -2.815 -2.364 -7.861
75 HB2 ASP 15 1HB ASP 15 -4.336 -4.720 -6.726
76 HB3 ASP 15 2HB ASP 15 -5.081 -3.281 -7.417
77 H GLU 16 H GLU 16 -3.705 -4.145 -4.906
78 HA GLU 16 HA GLU 16 -4.504 -1.850 -3.495
79 HB2 GLU 16 1HB GLU 16 -4.396 -3.327 -1.482
80 HB3 GLU 16 2HB GLU 16 -5.323 -3.999 -2.816
81 HG2 GLU 16 1HG GLU 16 -3.031 -5.134 -3.410
82 HG3 GLU 16 2HG GLU 16 -2.707 -4.857 -1.700
83 H GLU 17 H GLU 17 -1.410 -3.040 -4.219
84 HA GLU 17 HA GLU 17 -0.096 -1.875 -1.917
85 HB2 GLU 17 1HB GLU 17 0.910 -3.241 -4.408
86 HB3 GLU 17 2HB GLU 17 1.996 -2.496 -3.243
87 HG2 GLU 17 1HG GLU 17 1.140 -3.973 -1.498
88 HG3 GLU 17 2HG GLU 17 0.052 -4.720 -2.666
89 H LEU 18 H LEU 18 -0.747 -1.057 -5.254
90 HA LEU 18 HA LEU 18 1.049 1.173 -5.344
91 HB2 LEU 18 1HB LEU 18 0.666 0.464 -7.463
92 HB3 LEU 18 2HB LEU 18 -0.989 -0.030 -7.114
93 HG LEU 18 HG LEU 18 -1.517 2.486 -7.076
94 HD11 LEU 18 1HD1 LEU 18 0.375 3.713 -7.142
95 HD12 LEU 18 2HD1 LEU 18 0.188 3.501 -8.882
96 HD13 LEU 18 3HD1 LEU 18 1.291 2.461 -7.981
97 HD21 LEU 18 3HD2 LEU 18 -2.311 2.255 -9.175
98 HD22 LEU 18 1HD2 LEU 18 -1.763 0.591 -8.973
99 HD23 LEU 18 2HD2 LEU 18 -0.750 1.755 -9.827
100 H LEU 19 H LEU 19 -2.423 0.757 -4.811
101 HA LEU 19 HA LEU 19 -3.120 3.475 -4.746
102 HB2 LEU 19 1HB LEU 19 -4.350 1.082 -3.394
103 HB3 LEU 19 2HB LEU 19 -5.078 2.687 -3.393
104 HG LEU 19 HG LEU 19 -4.465 1.201 -5.935
105 HD11 LEU 19 1HD1 LEU 19 -7.031 0.804 -5.830
106 HD12 LEU 19 2HD1 LEU 19 -6.800 0.960 -4.089
107 HD13 LEU 19 3HD1 LEU 19 -5.941 -0.293 -4.983
108 HD21 LEU 19 3HD2 LEU 19 -5.192 3.809 -5.462
109 HD22 LEU 19 1HD2 LEU 19 -6.731 3.026 -5.817
110 HD23 LEU 19 2HD2 LEU 19 -5.407 2.934 -6.979
111 H LEU 20 H LEU 20 -2.045 1.273 -2.195
112 HA LEU 20 HA LEU 20 -2.447 2.867 0.028
113 HB2 LEU 20 1HB LEU 20 -1.599 0.469 -0.110
114 HB3 LEU 20 2HB LEU 20 0.002 1.166 -0.351
115 HG LEU 20 HG LEU 20 -0.118 2.225 1.845
116 HD11 LEU 20 1HD1 LEU 20 -2.880 1.073 1.826
117 HD12 LEU 20 2HD1 LEU 20 -2.351 2.702 2.246
118 HD13 LEU 20 3HD1 LEU 20 -2.032 1.361 3.346
119 HD21 LEU 20 3HD2 LEU 20 -0.275 -0.672 1.420
120 HD22 LEU 20 1HD2 LEU 20 -0.594 -0.153 3.075
121 HD23 LEU 20 2HD2 LEU 20 0.923 0.288 2.291
122 H ILE 21 H ILE 21 0.331 2.813 -2.176
123 HA ILE 21 HA ILE 21 1.851 4.756 -0.795
124 HB ILE 21 HB ILE 21 1.930 3.984 -3.714
125 HG12 ILE 21 1HG1 ILE 21 3.782 3.132 -1.487
126 HG13 ILE 21 2HG1 ILE 21 2.378 2.189 -1.976
127 HG21 ILE 21 1HG2 ILE 21 4.413 4.959 -2.663
128 HG22 ILE 21 2HG2 ILE 21 3.480 5.538 -4.042
129 HG23 ILE 21 3HG2 ILE 21 3.144 6.160 -2.427
130 HD11 ILE 21 3HD1 ILE 21 3.300 1.906 -4.188
131 HD12 ILE 21 1HD1 ILE 21 4.672 2.934 -3.774
132 HD13 ILE 21 2HD1 ILE 21 4.463 1.377 -2.973
133 H ASP 22 H ASP 22 0.089 5.088 -3.883
134 HA ASP 22 HA ASP 22 0.279 7.799 -4.214
135 HB2 ASP 22 1HB ASP 22 -0.928 5.907 -5.624
136 HB3 ASP 22 2HB ASP 22 -2.358 6.529 -4.804
137 H ALA 23 H ALA 23 -1.914 6.034 -2.109
138 HA ALA 23 HA ALA 23 -3.482 8.314 -1.388
139 HB1 ALA 23 3HB ALA 23 -4.246 5.926 -1.262
140 HB2 ALA 23 1HB ALA 23 -3.218 5.745 0.160
141 HB3 ALA 23 2HB ALA 23 -4.560 6.890 0.180
142 H CYS 24 H CYS 24 -0.941 6.456 0.279
143 HA CYS 24 HA CYS 24 -0.816 7.877 2.638
144 HB2 CYS 24 1HB CYS 24 1.214 6.837 3.026
145 HB3 CYS 24 2HB CYS 24 0.519 5.783 1.801
146 HG CYS 24 HG CYS 24 2.081 7.940 0.058
147 H GLU 25 H GLU 25 0.444 8.727 -0.515
148 HA GLU 25 HA GLU 25 1.805 11.074 0.552
149 HB2 GLU 25 1HB GLU 25 2.901 11.246 -1.482
150 HB3 GLU 25 2HB GLU 25 2.666 9.509 -1.346
151 HG2 GLU 25 1HG GLU 25 0.712 9.655 -2.801
152 HG3 GLU 25 2HG GLU 25 0.944 11.398 -2.937
153 H THR 26 H THR 26 -0.860 10.265 -1.637
154 HA THR 26 HA THR 26 -1.549 12.964 -2.217
155 HB THR 26 HB THR 26 -3.123 10.401 -2.507
156 HG1 THR 26 HG1 THR 26 -1.187 10.916 -3.860
157 HG21 THR 26 3HG2 THR 26 -4.716 11.642 -3.841
158 HG22 THR 26 1HG2 THR 26 -3.809 13.134 -3.594
159 HG23 THR 26 2HG2 THR 26 -4.619 12.359 -2.233
160 H LEU 27 H LEU 27 -3.486 10.548 -0.446
161 HA LEU 27 HA LEU 27 -5.069 12.528 0.835
162 HB2 LEU 27 1HB LEU 27 -4.705 9.632 1.586
163 HB3 LEU 27 2HB LEU 27 -6.020 10.688 2.098
164 HG LEU 27 HG LEU 27 -5.507 9.735 -0.719
165 HD11 LEU 27 1HD1 LEU 27 -7.943 8.811 -0.056
166 HD12 LEU 27 2HD1 LEU 27 -7.146 8.734 1.515
167 HD13 LEU 27 3HD1 LEU 27 -6.457 7.880 0.135
168 HD21 LEU 27 3HD2 LEU 27 -6.492 12.018 -0.538
169 HD22 LEU 27 1HD2 LEU 27 -7.838 11.313 0.358
170 HD23 LEU 27 2HD2 LEU 27 -7.548 10.836 -1.315
171 H GLY 28 H GLY 28 -2.388 10.472 1.929
172 HA2 GLY 28 1HA GLY 28 -0.729 11.312 3.442
173 HA3 GLY 28 2HA GLY 28 -1.945 12.384 4.120
174 H LEU 29 H LEU 29 -0.105 9.953 4.986
175 HA LEU 29 HA LEU 29 -1.793 7.970 6.017
176 HB2 LEU 29 1HB LEU 29 0.870 8.939 7.044
177 HB3 LEU 29 2HB LEU 29 0.078 7.446 7.540
178 HG LEU 29 HG LEU 29 0.678 7.865 4.648
179 HD11 LEU 29 1HD1 LEU 29 2.703 8.380 6.245
180 HD12 LEU 29 2HD1 LEU 29 2.910 7.394 4.798
181 HD13 LEU 29 3HD1 LEU 29 2.757 6.622 6.376
182 HD21 LEU 29 3HD2 LEU 29 0.570 5.571 4.524
183 HD22 LEU 29 1HD2 LEU 29 -0.594 5.900 5.808
184 HD23 LEU 29 2HD2 LEU 29 1.032 5.347 6.212
185 H GLY 30 H GLY 30 -1.427 11.208 6.935
186 HA2 GLY 30 1HA GLY 30 -1.708 11.252 9.673
187 HA3 GLY 30 2HA GLY 30 -2.441 12.432 8.596
188 H ASN 31 H ASN 31 -4.161 10.522 7.261
189 HA ASN 31 HA ASN 31 -5.954 9.713 9.444
190 HB2 ASN 31 1HB ASN 31 -6.574 11.961 8.377
191 HB3 ASN 31 2HB ASN 31 -6.987 11.032 6.938
192 HD21 ASN 31 1HD2 ASN 31 -9.023 10.464 6.779
193 HD22 ASN 31 2HD2 ASN 31 -10.129 10.246 8.088
194 H TRP 32 H TRP 32 -5.340 7.559 9.074
195 HA TRP 32 HA TRP 32 -5.252 6.236 6.638
196 HB2 TRP 32 1HB TRP 32 -6.010 5.203 9.376
197 HB3 TRP 32 2HB TRP 32 -5.727 4.163 7.982
198 HD1 TRP 32 HD1 TRP 32 -3.921 6.088 10.672
199 HE1 TRP 32 HE1 TRP 32 -1.388 5.686 10.460
200 HE3 TRP 32 HE3 TRP 32 -3.852 3.724 6.139
201 HZ2 TRP 32 HZ2 TRP 32 0.403 4.522 8.615
202 HZ3 TRP 32 HZ3 TRP 32 -1.687 2.999 5.221
203 HH2 TRP 32 HH2 TRP 32 0.395 3.391 6.434
204 H ALA 33 H ALA 33 -8.007 6.927 8.723
205 HA ALA 33 HA ALA 33 -9.990 5.354 7.772
206 HB1 ALA 33 3HB ALA 33 -11.037 6.703 9.199
207 HB2 ALA 33 1HB ALA 33 -9.857 7.992 8.957
208 HB3 ALA 33 2HB ALA 33 -11.229 7.833 7.858
209 H ASP 34 H ASP 34 -8.662 8.202 6.154
210 HA ASP 34 HA ASP 34 -10.501 8.066 3.956
211 HB2 ASP 34 1HB ASP 34 -8.083 9.696 4.617
212 HB3 ASP 34 2HB ASP 34 -8.652 9.656 2.950
213 H ILE 35 H ILE 35 -7.095 7.199 4.445
214 HA ILE 35 HA ILE 35 -6.489 6.381 1.858
215 HB ILE 35 HB ILE 35 -5.448 5.263 4.463
216 HG12 ILE 35 1HG1 ILE 35 -4.164 7.277 2.615
217 HG13 ILE 35 2HG1 ILE 35 -5.150 7.738 3.998
218 HG21 ILE 35 1HG2 ILE 35 -3.521 5.048 2.429
219 HG22 ILE 35 2HG2 ILE 35 -4.367 3.744 3.261
220 HG23 ILE 35 3HG2 ILE 35 -5.024 4.407 1.765
221 HD11 ILE 35 3HD1 ILE 35 -3.554 7.180 5.494
222 HD12 ILE 35 1HD1 ILE 35 -2.934 5.855 4.509
223 HD13 ILE 35 2HD1 ILE 35 -2.507 7.521 4.117
224 H ALA 36 H ALA 36 -8.049 4.619 4.486
225 HA ALA 36 HA ALA 36 -8.033 2.056 3.400
226 HB1 ALA 36 3HB ALA 36 -10.178 3.319 5.103
227 HB2 ALA 36 1HB ALA 36 -9.933 1.590 4.853
228 HB3 ALA 36 2HB ALA 36 -8.712 2.542 5.698
229 H ASP 37 H ASP 37 -10.486 4.613 3.058
230 HA ASP 37 HA ASP 37 -12.176 3.128 1.339
231 HB2 ASP 37 1HB ASP 37 -12.795 5.189 2.691
232 HB3 ASP 37 2HB ASP 37 -11.982 6.138 1.449
233 H TYR 38 H TYR 38 -9.229 4.787 0.825
234 HA TYR 38 HA TYR 38 -9.664 5.124 -2.030
235 HB2 TYR 38 1HB TYR 38 -8.410 6.811 -0.649
236 HB3 TYR 38 2HB TYR 38 -7.132 5.616 -0.454
237 HD1 TYR 38 HD1 TYR 38 -5.861 4.842 -2.463
238 HD2 TYR 38 HD2 TYR 38 -8.603 8.091 -2.638
239 HE1 TYR 38 HE1 TYR 38 -4.845 5.578 -4.578
240 HE2 TYR 38 HE2 TYR 38 -7.595 8.835 -4.754
241 HH TYR 38 HH TYR 38 -4.967 8.373 -5.802
242 H VAL 39 H VAL 39 -7.970 3.013 0.186
243 HA VAL 39 HA VAL 39 -6.603 1.619 -1.969
244 HB VAL 39 HB VAL 39 -6.638 1.117 1.010
245 HG11 VAL 39 1HG1 VAL 39 -4.799 -0.449 0.590
246 HG12 VAL 39 2HG1 VAL 39 -6.288 -0.967 -0.202
247 HG13 VAL 39 3HG1 VAL 39 -5.001 -0.216 -1.146
248 HG21 VAL 39 3HG2 VAL 39 -4.501 2.112 1.079
249 HG22 VAL 39 1HG2 VAL 39 -4.353 2.101 -0.679
250 HG23 VAL 39 2HG2 VAL 39 -5.493 3.195 0.103
251 H GLY 40 H GLY 40 -8.580 0.456 0.769
252 HA2 GLY 40 1HA GLY 40 -10.235 -1.135 0.863
253 HA3 GLY 40 2HA GLY 40 -10.467 -0.891 -0.862
254 H ASN 41 H ASN 41 -10.337 -2.754 -1.907
255 HA ASN 41 HA ASN 41 -9.709 -4.856 -2.517
256 HB2 ASN 41 1HB ASN 41 -6.943 -4.303 -1.503
257 HB3 ASN 41 2HB ASN 41 -7.445 -5.140 -2.969
258 HD21 ASN 41 1HD2 ASN 41 -6.129 -2.370 -1.794
259 HD22 ASN 41 2HD2 ASN 41 -6.458 -1.310 -3.118
260 H ALA 42 H ALA 42 -10.988 -4.997 -0.203
261 HA ALA 42 HA ALA 42 -11.369 -6.369 1.575
262 HB1 ALA 42 3HB ALA 42 -9.374 -7.794 -0.008
263 HB2 ALA 42 1HB ALA 42 -9.352 -8.220 1.703
264 HB3 ALA 42 2HB ALA 42 -10.840 -8.387 0.772
265 H ARG 43 H ARG 43 -9.652 -3.982 1.773
266 HA ARG 43 HA ARG 43 -8.180 -4.721 4.217
267 HB2 ARG 43 1HB ARG 43 -7.454 -2.445 2.371
268 HB3 ARG 43 2HB ARG 43 -6.528 -3.049 3.738
269 HG2 ARG 43 1HG ARG 43 -7.079 -4.556 1.189
270 HG3 ARG 43 2HG ARG 43 -5.566 -3.751 1.611
271 HD2 ARG 43 1HD ARG 43 -5.193 -5.249 3.431
272 HD3 ARG 43 2HD ARG 43 -6.809 -5.936 3.270
273 HE ARG 43 HE ARG 43 -5.250 -6.246 0.895
274 HH11 ARG 43 1HH1 ARG 43 -5.851 -7.559 4.063
275 HH12 ARG 43 2HH1 ARG 43 -5.329 -9.157 3.643
276 HH21 ARG 43 1HH2 ARG 43 -4.560 -8.346 0.330
277 HH22 ARG 43 2HH2 ARG 43 -4.594 -9.603 1.520
278 H THR 44 H THR 44 -7.642 -2.379 5.335
279 HA THR 44 HA THR 44 -9.712 -0.451 5.275
280 HB THR 44 HB THR 44 -10.967 -2.350 6.314
281 HG1 THR 44 HG1 THR 44 -10.532 -0.142 8.066
282 HG21 THR 44 3HG2 THR 44 -9.267 -1.892 8.751
283 HG22 THR 44 1HG2 THR 44 -8.900 -3.163 7.585
284 HG23 THR 44 2HG2 THR 44 -10.437 -3.177 8.451
285 H LYS 45 H LYS 45 -9.477 1.178 6.966
286 HA LYS 45 HA LYS 45 -7.016 2.170 7.353
287 HB2 LYS 45 1HB LYS 45 -7.845 3.397 9.284
288 HB3 LYS 45 2HB LYS 45 -9.084 3.318 8.039
289 HG2 LYS 45 1HG LYS 45 -9.994 1.308 9.332
290 HG3 LYS 45 2HG LYS 45 -8.955 1.854 10.650
291 HD2 LYS 45 1HD LYS 45 -10.182 3.757 11.010
292 HD3 LYS 45 2HD LYS 45 -10.745 3.839 9.339
293 HE2 LYS 45 1HE LYS 45 -11.639 1.766 11.337
294 HE3 LYS 45 2HE LYS 45 -12.518 3.254 10.992
295 HZ1 LYS 45 3HZ LYS 45 -13.272 2.457 9.049
296 HZ2 LYS 45 1HZ LYS 45 -12.943 0.943 9.729
297 HZ3 LYS 45 2HZ LYS 45 -11.829 1.657 8.675
298 H GLU 46 H GLU 46 -8.600 -0.063 9.630
299 HA GLU 46 HA GLU 46 -6.568 -0.245 11.509
300 HB2 GLU 46 1HB GLU 46 -8.570 -2.315 10.602
301 HB3 GLU 46 2HB GLU 46 -7.515 -2.533 11.991
302 HG2 GLU 46 1HG GLU 46 -8.541 -0.246 12.742
303 HG3 GLU 46 2HG GLU 46 -9.837 -0.708 11.641
304 H GLU 47 H GLU 47 -6.978 -1.976 8.462
305 HA GLU 47 HA GLU 47 -4.577 -3.545 8.906
306 HB2 GLU 47 1HB GLU 47 -6.615 -3.421 6.696
307 HB3 GLU 47 2HB GLU 47 -5.113 -4.314 6.506
308 HG2 GLU 47 1HG GLU 47 -5.670 -5.828 8.211
309 HG3 GLU 47 2HG GLU 47 -6.975 -4.803 8.804
310 H CYS 48 H CYS 48 -5.654 -1.460 6.217
311 HA CYS 48 HA CYS 48 -3.331 -1.110 4.879
312 HB2 CYS 48 1HB CYS 48 -5.553 0.830 5.455
313 HB3 CYS 48 2HB CYS 48 -4.173 1.311 4.475
314 HG CYS 48 HG CYS 48 -5.239 0.497 2.297
315 H ARG 49 H ARG 49 -4.152 0.252 7.983
316 HA ARG 49 HA ARG 49 -2.056 2.171 8.086
317 HB2 ARG 49 1HB ARG 49 -3.898 2.501 9.549
318 HB3 ARG 49 2HB ARG 49 -3.764 0.873 10.201
319 HG2 ARG 49 1HG ARG 49 -1.833 1.414 11.434
320 HG3 ARG 49 2HG ARG 49 -1.605 2.928 10.556
321 HD2 ARG 49 1HD ARG 49 -3.844 3.647 11.509
322 HD3 ARG 49 2HD ARG 49 -3.726 2.248 12.576
323 HE ARG 49 HE ARG 49 -1.383 3.499 12.998
324 HH11 ARG 49 1HH1 ARG 49 -4.678 4.624 12.977
325 HH12 ARG 49 2HH1 ARG 49 -4.396 5.875 14.142
326 HH21 ARG 49 1HH2 ARG 49 -0.999 5.143 14.533
327 HH22 ARG 49 2HH2 ARG 49 -2.303 6.170 15.025
328 H ASP 50 H ASP 50 -2.401 -0.765 10.078
329 HA ASP 50 HA ASP 50 0.279 -0.884 10.857
330 HB2 ASP 50 1HB ASP 50 -1.671 -2.115 11.896
331 HB3 ASP 50 2HB ASP 50 -1.551 -3.270 10.572
332 H HIS 51 H HIS 51 -1.400 -2.686 8.286
333 HA HIS 51 HA HIS 51 0.542 -4.294 7.316
334 HB2 HIS 51 1HB HIS 51 -1.585 -4.302 6.246
335 HB3 HIS 51 2HB HIS 51 -1.438 -2.609 5.785
336 HD1 HIS 51 HD1 HIS 51 0.168 -5.955 4.991
337 HD2 HIS 51 HD2 HIS 51 -0.432 -2.212 3.289
338 HE1 HIS 51 HE1 HIS 51 1.011 -6.146 2.629
339 HE2 HIS 51 HE2 HIS 51 0.717 -3.846 1.646
340 H TYR 52 H TYR 52 0.231 -0.830 6.612
341 HA TYR 52 HA TYR 52 2.482 -0.697 4.894
342 HB2 TYR 52 1HB TYR 52 0.679 0.997 4.913
343 HB3 TYR 52 2HB TYR 52 1.201 1.516 6.512
344 HD1 TYR 52 HD2 TYR 52 3.676 2.306 6.704
345 HD2 TYR 52 HD1 TYR 52 1.547 2.041 3.030
346 HE1 TYR 52 HE2 TYR 52 5.260 3.884 5.679
347 HE2 TYR 52 HE1 TYR 52 3.126 3.617 1.994
348 HH TYR 52 HH TYR 52 4.701 5.310 2.599
349 H LEU 53 H LEU 53 2.072 -0.488 8.353
350 HA LEU 53 HA LEU 53 4.753 0.494 8.809
351 HB2 LEU 53 1HB LEU 53 2.611 -0.490 10.685
352 HB3 LEU 53 2HB LEU 53 4.177 0.126 11.208
353 HG LEU 53 HG LEU 53 2.435 1.858 9.516
354 HD11 LEU 53 1HD1 LEU 53 2.106 1.567 12.497
355 HD12 LEU 53 2HD1 LEU 53 0.978 0.938 11.296
356 HD13 LEU 53 3HD1 LEU 53 1.241 2.677 11.432
357 HD21 LEU 53 3HD2 LEU 53 4.742 2.121 11.324
358 HD22 LEU 53 1HD2 LEU 53 3.530 3.397 11.446
359 HD23 LEU 53 2HD2 LEU 53 4.301 3.059 9.896
360 H LYS 54 H LYS 54 3.369 -2.484 8.143
361 HA LYS 54 HA LYS 54 5.421 -3.983 9.606
362 HB2 LYS 54 1HB LYS 54 3.051 -5.032 8.050
363 HB3 LYS 54 2HB LYS 54 4.118 -5.969 9.088
364 HG2 LYS 54 1HG LYS 54 3.317 -4.193 10.883
365 HG3 LYS 54 2HG LYS 54 1.926 -4.106 9.799
366 HD2 LYS 54 1HD LYS 54 1.364 -5.765 11.361
367 HD3 LYS 54 2HD LYS 54 1.886 -6.657 9.930
368 HE2 LYS 54 1HE LYS 54 4.141 -6.862 10.959
369 HE3 LYS 54 2HE LYS 54 3.501 -6.106 12.417
370 HZ1 LYS 54 3HZ LYS 54 1.738 -8.062 12.069
371 HZ2 LYS 54 1HZ LYS 54 3.144 -8.237 12.994
372 HZ3 LYS 54 2HZ LYS 54 3.107 -8.797 11.399
373 H THR 55 H THR 55 4.762 -2.718 6.543
374 HA THR 55 HA THR 55 6.631 -4.603 5.264
375 HB THR 55 HB THR 55 4.544 -2.823 3.990
376 HG1 THR 55 HG1 THR 55 3.545 -4.624 4.779
377 HG21 THR 55 3HG2 THR 55 6.630 -3.072 2.641
378 HG22 THR 55 1HG2 THR 55 5.198 -3.755 1.874
379 HG23 THR 55 2HG2 THR 55 6.372 -4.816 2.651
380 H TYR 56 H TYR 56 5.653 -1.175 5.061
381 HA TYR 56 HA TYR 56 8.058 -0.341 3.816
382 HB2 TYR 56 1HB TYR 56 5.931 1.212 5.298
383 HB3 TYR 56 2HB TYR 56 7.269 1.964 4.437
384 HD1 TYR 56 HD1 TYR 56 4.298 -0.213 3.982
385 HD2 TYR 56 HD2 TYR 56 7.154 2.329 2.115
386 HE1 TYR 56 HE1 TYR 56 2.986 -0.277 1.903
387 HE2 TYR 56 HE2 TYR 56 5.849 2.273 0.031
388 HH TYR 56 HH TYR 56 4.198 0.823 -1.069
389 H ILE 57 H ILE 57 6.863 0.370 7.104
390 HA ILE 57 HA ILE 57 9.318 1.364 8.054
391 HB ILE 57 HB ILE 57 6.963 0.220 9.553
392 HG12 ILE 57 1HG1 ILE 57 6.420 2.243 8.343
393 HG13 ILE 57 2HG1 ILE 57 6.535 2.625 10.057
394 HG21 ILE 57 1HG2 ILE 57 9.579 1.231 10.498
395 HG22 ILE 57 2HG2 ILE 57 8.148 1.745 11.391
396 HG23 ILE 57 3HG2 ILE 57 8.503 0.028 11.208
397 HD11 ILE 57 3HD1 ILE 57 7.752 4.349 9.299
398 HD12 ILE 57 1HD1 ILE 57 9.052 3.158 9.291
399 HD13 ILE 57 2HD1 ILE 57 8.184 3.527 7.800
400 H GLU 58 H GLU 58 7.736 -1.735 8.862
401 HA GLU 58 HA GLU 58 10.269 -2.795 9.808
402 HB2 GLU 58 1HB GLU 58 7.997 -3.165 10.930
403 HB3 GLU 58 2HB GLU 58 7.664 -4.295 9.625
404 HG2 GLU 58 1HG GLU 58 10.162 -4.584 11.228
405 HG3 GLU 58 2HG GLU 58 8.625 -5.145 11.885
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