Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
512269 | 2lcy RC | 17638 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 507 1HT ALA 507 -12.052 -8.204 -0.490
2 H2 ALA 507 2HT ALA 507 -12.158 -9.035 -1.989
3 H3 ALA 507 3HT ALA 507 -10.630 -8.529 -1.391
4 HA ALA 507 HA ALA 507 -12.402 -10.480 -0.086
5 HB1 ALA 507 2HB ALA 507 -10.327 -10.751 -2.169
6 HB2 ALA 507 3HB ALA 507 -11.729 -11.763 -1.820
7 HB3 ALA 507 1HB ALA 507 -10.268 -11.914 -0.844
8 H GLN 508 H GLN 508 -11.715 -8.659 1.587
9 HA GLN 508 HA GLN 508 -9.966 -9.880 3.405
10 HB2 GLN 508 2HB GLN 508 -8.268 -7.899 3.381
11 HB3 GLN 508 1HB GLN 508 -8.061 -9.244 2.272
12 HG2 GLN 508 2HG GLN 508 -9.612 -7.552 0.795
13 HG3 GLN 508 1HG GLN 508 -8.626 -6.430 1.728
14 HE21 GLN 508 1HE2 GLN 508 -8.360 -9.352 -0.252
15 HE22 GLN 508 2HE2 GLN 508 -6.843 -8.939 -0.967
16 HA PRO 509 HA PRO 509 -12.389 -6.848 5.671
17 HB2 PRO 509 2HB PRO 509 -12.792 -8.261 7.820
18 HB3 PRO 509 1HB PRO 509 -13.353 -8.926 6.273
19 HG2 PRO 509 2HG PRO 509 -10.838 -9.536 7.785
20 HG3 PRO 509 1HG PRO 509 -11.996 -10.676 7.073
21 HD2 PRO 509 2HD PRO 509 -9.652 -9.799 5.854
22 HD3 PRO 509 1HD PRO 509 -11.045 -10.489 4.994
23 H LYS 510 H LYS 510 -10.984 -5.167 6.086
24 HA LYS 510 HA LYS 510 -9.759 -5.144 8.701
25 HB2 LYS 510 2HB LYS 510 -8.181 -5.110 6.196
26 HB3 LYS 510 1HB LYS 510 -7.688 -3.992 7.456
27 HG2 LYS 510 2HG LYS 510 -7.166 -5.707 8.939
28 HG3 LYS 510 1HG LYS 510 -8.118 -6.893 8.046
29 HD2 LYS 510 2HD LYS 510 -6.118 -5.826 6.312
30 HD3 LYS 510 1HD LYS 510 -5.352 -6.332 7.819
31 HE2 LYS 510 2HE LYS 510 -5.314 -8.348 6.814
32 HE3 LYS 510 1HE LYS 510 -6.981 -8.433 7.380
33 HZ1 LYS 510 3HZ LYS 510 -6.583 -7.142 4.810
34 HZ2 LYS 510 1HZ LYS 510 -7.788 -8.222 5.306
35 HZ3 LYS 510 2HZ LYS 510 -6.267 -8.803 4.847
36 H CYS 511 H CYS 511 -10.206 -3.408 5.699
37 HA CYS 511 HA CYS 511 -11.079 -1.385 5.228
38 HB2 CYS 511 2HB CYS 511 -12.045 -1.843 7.897
39 HB3 CYS 511 1HB CYS 511 -11.688 -0.137 7.660
40 H ASN 512 H ASN 512 -8.384 -1.693 5.409
41 HA ASN 512 HA ASN 512 -7.606 1.008 6.234
42 HB2 ASN 512 2HB ASN 512 -6.751 -0.939 7.744
43 HB3 ASN 512 1HB ASN 512 -5.639 -1.250 6.417
44 HD21 ASN 512 1HD2 ASN 512 -5.845 1.852 5.982
45 HD22 ASN 512 2HD2 ASN 512 -4.675 2.449 7.097
46 HA PRO 513 HA PRO 513 -6.122 -0.211 1.918
47 HB2 PRO 513 2HB PRO 513 -8.153 0.186 0.287
48 HB3 PRO 513 1HB PRO 513 -8.142 -1.248 1.320
49 HG2 PRO 513 2HG PRO 513 -9.566 1.362 1.761
50 HG3 PRO 513 1HG PRO 513 -10.212 -0.281 1.874
51 HD2 PRO 513 2HD PRO 513 -9.322 1.162 4.034
52 HD3 PRO 513 1HD PRO 513 -9.337 -0.612 3.961
53 H ASN 514 H ASN 514 -8.360 1.949 0.555
54 HA ASN 514 HA ASN 514 -6.368 3.912 0.094
55 HB2 ASN 514 2HB ASN 514 -7.775 4.705 -1.519
56 HB3 ASN 514 1HB ASN 514 -8.480 3.107 -1.312
57 HD21 ASN 514 1HD2 ASN 514 -10.297 2.949 0.216
58 HD22 ASN 514 2HD2 ASN 514 -11.406 4.272 0.303
59 H LEU 515 H LEU 515 -8.190 3.407 2.791
60 HA LEU 515 HA LEU 515 -8.643 6.237 3.334
61 HB2 LEU 515 2HB LEU 515 -9.396 3.809 4.960
62 HB3 LEU 515 1HB LEU 515 -9.873 5.461 5.302
63 HG LEU 515 HG LEU 515 -11.774 4.627 4.287
64 HD11 LEU 515 1HD1 LEU 515 -11.159 6.640 3.123
65 HD12 LEU 515 2HD1 LEU 515 -11.854 5.502 1.969
66 HD13 LEU 515 3HD1 LEU 515 -10.106 5.739 2.031
67 HD21 LEU 515 3HD2 LEU 515 -10.078 3.187 2.251
68 HD22 LEU 515 1HD2 LEU 515 -11.828 3.068 2.446
69 HD23 LEU 515 2HD2 LEU 515 -10.754 2.446 3.702
70 H HIS 516 H HIS 516 -5.994 5.508 3.127
71 HA HIS 516 HA HIS 516 -4.833 6.646 5.362
72 HB2 HIS 516 2HB HIS 516 -5.576 4.411 6.383
73 HB3 HIS 516 1HB HIS 516 -4.330 3.672 5.384
74 HD1 HIS 516 1HD HIS 516 -2.731 2.985 7.205
75 HD2 HIS 516 2HD HIS 516 -3.777 7.002 7.413
76 HE1 HIS 516 1HE HIS 516 -1.208 3.988 8.937
77 HE2 HIS 516 2HE HIS 516 -1.797 6.437 8.978
78 H TYR 517 H TYR 517 -4.512 4.336 2.762
79 HA TYR 517 HA TYR 517 -1.894 4.080 2.250
80 HB2 TYR 517 2HB TYR 517 -2.423 3.690 -0.005
81 HB3 TYR 517 1HB TYR 517 -3.915 3.339 0.849
82 HD1 TYR 517 2HD TYR 517 -5.383 5.658 1.170
83 HD2 TYR 517 1HD TYR 517 -2.721 4.760 -2.021
84 HE1 TYR 517 2HE TYR 517 -6.602 7.231 -0.275
85 HE2 TYR 517 1HE TYR 517 -3.926 6.334 -3.477
86 HH TYR 517 HH TYR 517 -6.280 8.527 -2.266
87 H TRP 518 H TRP 518 -3.753 7.006 1.559
88 HA TRP 518 HA TRP 518 -1.695 8.443 0.262
89 HB2 TRP 518 2HB TRP 518 -3.139 10.450 0.998
90 HB3 TRP 518 1HB TRP 518 -3.888 9.256 -0.061
91 HD1 TRP 518 HD TRP 518 -3.535 8.395 3.624
92 HE1 TRP 518 1HE TRP 518 -5.861 8.368 4.709
93 HE3 TRP 518 3HE TRP 518 -6.244 10.342 -0.242
94 HZ2 TRP 518 2HZ TRP 518 -8.508 9.086 4.018
95 HZ3 TRP 518 3HZ TRP 518 -8.670 10.641 0.048
96 HH2 TRP 518 HH TRP 518 -9.778 10.024 2.136
97 H THR 519 H THR 519 0.143 7.994 1.648
98 HA THR 519 HA THR 519 0.634 10.084 3.519
99 HB THR 519 HB THR 519 -0.679 8.796 5.019
100 HG1 THR 519 1HG THR 519 0.880 9.251 6.348
101 HG21 THR 519 3HG2 THR 519 -0.239 6.631 3.571
102 HG22 THR 519 1HG2 THR 519 -0.751 6.558 5.259
103 HG23 THR 519 2HG2 THR 519 0.951 6.348 4.843
104 H THR 520 H THR 520 1.582 6.731 2.869
105 HA THR 520 HA THR 520 4.327 7.666 2.423
106 HB THR 520 HB THR 520 3.959 6.381 4.597
107 HG1 THR 520 1HG THR 520 5.882 5.198 4.274
108 HG21 THR 520 3HG2 THR 520 3.097 4.351 4.628
109 HG22 THR 520 1HG2 THR 520 4.292 3.790 3.458
110 HG23 THR 520 2HG2 THR 520 2.769 4.485 2.900
111 H GLN 521 H GLN 521 1.620 6.353 1.075
112 HA GLN 521 HA GLN 521 3.054 4.631 -0.765
113 HB2 GLN 521 2HB GLN 521 1.055 3.608 -1.268
114 HB3 GLN 521 1HB GLN 521 0.723 4.139 0.372
115 HG2 GLN 521 2HG GLN 521 -1.183 4.759 -0.745
116 HG3 GLN 521 1HG GLN 521 -0.245 6.249 -0.762
117 HE21 GLN 521 1HE2 GLN 521 -0.755 7.218 -2.581
118 HE22 GLN 521 2HE2 GLN 521 -0.695 6.514 -4.156
119 H ASP 522 H ASP 522 1.220 7.573 -0.640
120 HA ASP 522 HA ASP 522 1.569 8.095 -3.475
121 HB2 ASP 522 2HB ASP 522 -0.320 8.874 -1.565
122 HB3 ASP 522 1HB ASP 522 0.573 10.343 -1.943
123 H GLU 523 H GLU 523 3.515 8.219 -0.964
124 HA GLU 523 HA GLU 523 5.084 10.455 -2.018
125 HB2 GLU 523 2HB GLU 523 5.218 9.948 0.905
126 HB3 GLU 523 1HB GLU 523 5.351 11.464 0.020
127 HG2 GLU 523 2HG GLU 523 2.804 11.025 -0.454
128 HG3 GLU 523 1HG GLU 523 2.931 10.043 1.008
129 H GLY 524 H GLY 524 4.830 7.323 -0.644
130 HA2 GLY 524 2HA GLY 524 7.737 6.934 -0.928
131 HA3 GLY 524 1HA GLY 524 6.749 6.077 0.249
132 H ALA 525 H ALA 525 4.528 5.772 -1.693
133 HA ALA 525 HA ALA 525 5.676 3.524 -3.188
134 HB1 ALA 525 1HB ALA 525 3.821 3.081 -1.564
135 HB2 ALA 525 2HB ALA 525 3.487 2.551 -3.213
136 HB3 ALA 525 3HB ALA 525 2.762 4.038 -2.598
137 H ALA 526 H ALA 526 5.631 6.421 -3.891
138 HA ALA 526 HA ALA 526 4.608 6.101 -6.616
139 HB1 ALA 526 1HB ALA 526 3.845 8.550 -6.429
140 HB2 ALA 526 2HB ALA 526 3.880 8.268 -4.688
141 HB3 ALA 526 3HB ALA 526 2.829 7.294 -5.720
142 H ILE 527 H ILE 527 7.135 6.916 -4.638
143 HA ILE 527 HA ILE 527 8.566 8.184 -6.830
144 HB ILE 527 HB ILE 527 9.513 9.631 -4.694
145 HG12 ILE 527 2HG1 ILE 527 7.277 8.672 -3.596
146 HG13 ILE 527 1HG1 ILE 527 7.853 10.300 -3.259
147 HG21 ILE 527 1HG2 ILE 527 8.393 11.541 -5.755
148 HG22 ILE 527 2HG2 ILE 527 7.410 10.424 -6.701
149 HG23 ILE 527 3HG2 ILE 527 9.157 10.475 -6.934
150 HD11 ILE 527 3HD1 ILE 527 5.955 9.876 -5.513
151 HD12 ILE 527 1HD1 ILE 527 6.180 11.284 -4.475
152 HD13 ILE 527 2HD1 ILE 527 5.353 9.854 -3.855
153 H GLY 528 H GLY 528 8.633 6.754 -3.598
154 HA2 GLY 528 2HA GLY 528 11.444 6.443 -3.445
155 HA3 GLY 528 1HA GLY 528 10.257 5.578 -2.482
156 H LEU 529 H LEU 529 10.749 3.483 -2.610
157 HA LEU 529 HA LEU 529 11.177 2.366 -5.300
158 HB2 LEU 529 2HB LEU 529 12.864 2.250 -2.943
159 HB3 LEU 529 1HB LEU 529 12.488 0.654 -3.557
160 HG LEU 529 HG LEU 529 13.343 1.323 -5.777
161 HD11 LEU 529 1HD1 LEU 529 13.910 3.903 -4.342
162 HD12 LEU 529 2HD1 LEU 529 12.988 3.654 -5.826
163 HD13 LEU 529 3HD1 LEU 529 14.737 3.430 -5.826
164 HD21 LEU 529 3HD2 LEU 529 15.514 0.875 -5.246
165 HD22 LEU 529 1HD2 LEU 529 14.746 0.433 -3.721
166 HD23 LEU 529 2HD2 LEU 529 15.533 2.003 -3.889
167 H ALA 530 H ALA 530 8.818 2.040 -5.143
168 HA ALA 530 HA ALA 530 8.036 -0.267 -3.486
169 HB1 ALA 530 1HB ALA 530 6.728 2.116 -4.045
170 HB2 ALA 530 2HB ALA 530 6.016 0.675 -3.318
171 HB3 ALA 530 3HB ALA 530 5.914 0.928 -5.062
172 H TRP 531 H TRP 531 8.413 0.915 -6.698
173 HA TRP 531 HA TRP 531 7.180 -1.216 -8.131
174 HB2 TRP 531 2HB TRP 531 8.882 -0.144 -9.934
175 HB3 TRP 531 1HB TRP 531 7.366 0.633 -9.490
176 HD1 TRP 531 HD TRP 531 11.032 0.705 -8.217
177 HE1 TRP 531 1HE TRP 531 11.564 3.107 -7.486
178 HE3 TRP 531 3HE TRP 531 6.492 2.850 -9.160
179 HZ2 TRP 531 2HZ TRP 531 10.229 5.609 -7.351
180 HZ3 TRP 531 3HZ TRP 531 6.197 5.248 -8.700
181 HH2 TRP 531 HH TRP 531 8.024 6.599 -7.811
182 H ILE 532 H ILE 532 10.193 -0.776 -6.567
183 HA ILE 532 HA ILE 532 11.564 -2.823 -8.097
184 HB ILE 532 HB ILE 532 12.771 -0.822 -7.433
185 HG12 ILE 532 2HG1 ILE 532 14.073 -2.837 -5.696
186 HG13 ILE 532 1HG1 ILE 532 13.747 -3.317 -7.362
187 HG21 ILE 532 1HG2 ILE 532 12.012 -1.650 -4.658
188 HG22 ILE 532 2HG2 ILE 532 11.779 -0.098 -5.458
189 HG23 ILE 532 3HG2 ILE 532 13.396 -0.608 -4.973
190 HD11 ILE 532 3HD1 ILE 532 14.848 -0.695 -7.361
191 HD12 ILE 532 1HD1 ILE 532 15.508 -2.180 -8.053
192 HD13 ILE 532 2HD1 ILE 532 15.869 -1.752 -6.380
193 HA PRO 533 HA PRO 533 10.128 -5.803 -5.025
194 HB2 PRO 533 2HB PRO 533 10.598 -8.016 -6.454
195 HB3 PRO 533 1HB PRO 533 9.259 -6.933 -6.854
196 HG2 PRO 533 2HG PRO 533 11.945 -7.181 -8.142
197 HG3 PRO 533 1HG PRO 533 10.357 -6.954 -8.897
198 HD2 PRO 533 2HD PRO 533 12.181 -4.931 -8.440
199 HD3 PRO 533 1HD PRO 533 10.435 -4.688 -8.640
200 H TYR 534 H TYR 534 12.403 -4.742 -4.208
201 HA TYR 534 HA TYR 534 14.451 -6.832 -4.183
202 HB2 TYR 534 2HB TYR 534 15.056 -4.463 -4.762
203 HB3 TYR 534 1HB TYR 534 14.648 -4.017 -3.108
204 HD1 TYR 534 2HD TYR 534 16.527 -6.899 -4.548
205 HD2 TYR 534 1HD TYR 534 16.587 -3.529 -1.959
206 HE1 TYR 534 2HE TYR 534 18.808 -7.495 -3.839
207 HE2 TYR 534 1HE TYR 534 18.868 -4.111 -1.240
208 HH TYR 534 HH TYR 534 20.295 -6.180 -1.139
209 H PHE 535 H PHE 535 12.714 -4.697 -1.918
210 HA PHE 535 HA PHE 535 13.269 -6.664 0.206
211 HB2 PHE 535 2HB PHE 535 12.590 -4.421 1.587
212 HB3 PHE 535 1HB PHE 535 14.244 -4.877 1.193
213 HD1 PHE 535 1HD PHE 535 11.389 -2.789 0.109
214 HD2 PHE 535 2HD PHE 535 15.564 -3.547 -0.221
215 HE1 PHE 535 1HE PHE 535 11.670 -0.682 -1.131
216 HE2 PHE 535 2HE PHE 535 15.852 -1.441 -1.461
217 HZ PHE 535 HZ PHE 535 13.903 -0.005 -1.916
218 H GLY 536 H GLY 536 10.844 -4.469 -1.145
219 HA2 GLY 536 2HA GLY 536 8.560 -4.380 -0.889
220 HA3 GLY 536 1HA GLY 536 8.672 -6.132 -0.856
221 HA PRO 537 HA PRO 537 6.853 -5.886 3.196
222 HB2 PRO 537 2HB PRO 537 8.169 -8.489 3.687
223 HB3 PRO 537 1HB PRO 537 6.456 -8.063 3.749
224 HG2 PRO 537 2HG PRO 537 7.444 -9.533 1.747
225 HG3 PRO 537 1HG PRO 537 6.170 -8.330 1.469
226 HD2 PRO 537 2HD PRO 537 9.106 -8.149 0.911
227 HD3 PRO 537 1HD PRO 537 7.735 -7.581 -0.064
228 H ALA 538 H ALA 538 10.190 -5.991 2.581
229 HA ALA 538 HA ALA 538 11.050 -6.063 5.329
230 HB1 ALA 538 1HB ALA 538 12.283 -6.563 2.913
231 HB2 ALA 538 2HB ALA 538 13.078 -6.446 4.482
232 HB3 ALA 538 3HB ALA 538 12.996 -5.035 3.428
233 H ALA 539 H ALA 539 9.900 -3.688 3.157
234 HA ALA 539 HA ALA 539 11.128 -1.498 4.670
235 HB1 ALA 539 1HB ALA 539 9.665 -1.625 2.053
236 HB2 ALA 539 2HB ALA 539 11.341 -1.159 2.348
237 HB3 ALA 539 3HB ALA 539 10.027 -0.100 2.860
238 H GLU 540 H GLU 540 8.475 -3.413 4.765
239 HA GLU 540 HA GLU 540 6.302 -1.730 5.105
240 HB2 GLU 540 2HB GLU 540 6.987 -4.477 5.557
241 HB3 GLU 540 1HB GLU 540 5.959 -3.887 6.860
242 HG2 GLU 540 2HG GLU 540 4.463 -2.983 4.975
243 HG3 GLU 540 1HG GLU 540 5.383 -4.068 3.931
244 H GLY 541 H GLY 541 7.060 0.110 6.249
245 HA2 GLY 541 2HA GLY 541 6.311 0.807 8.578
246 HA3 GLY 541 1HA GLY 541 7.518 -0.344 9.125
247 H ILE 542 H ILE 542 9.082 0.701 6.586
248 HA ILE 542 HA ILE 542 10.321 2.892 8.089
249 HB ILE 542 HB ILE 542 12.039 2.403 5.988
250 HG12 ILE 542 2HG1 ILE 542 10.699 0.339 5.468
251 HG13 ILE 542 1HG1 ILE 542 12.396 0.042 5.819
252 HG21 ILE 542 1HG2 ILE 542 12.894 2.833 8.107
253 HG22 ILE 542 2HG2 ILE 542 13.359 1.160 7.795
254 HG23 ILE 542 3HG2 ILE 542 11.988 1.513 8.846
255 HD11 ILE 542 3HD1 ILE 542 10.686 -0.122 8.172
256 HD12 ILE 542 1HD1 ILE 542 11.917 -1.237 7.577
257 HD13 ILE 542 2HD1 ILE 542 10.283 -1.293 6.916
258 H TYR 543 H TYR 543 8.674 2.218 5.074
259 HA TYR 543 HA TYR 543 8.127 4.906 4.593
260 HB2 TYR 543 2HB TYR 543 9.671 4.849 2.343
261 HB3 TYR 543 1HB TYR 543 10.118 5.653 3.844
262 HD1 TYR 543 2HD TYR 543 10.108 1.996 3.122
263 HD2 TYR 543 1HD TYR 543 12.447 5.474 3.856
264 HE1 TYR 543 2HE TYR 543 12.129 0.602 3.259
265 HE2 TYR 543 1HE TYR 543 14.474 4.090 3.994
266 HH TYR 543 HH TYR 543 15.294 1.952 3.313
267 H ILE 544 H ILE 544 9.222 3.125 1.815
268 HA ILE 544 HA ILE 544 6.691 3.221 0.584
269 HB ILE 544 HB ILE 544 8.946 1.438 -0.286
270 HG12 ILE 544 2HG1 ILE 544 9.268 3.806 -1.662
271 HG13 ILE 544 1HG1 ILE 544 8.873 4.361 -0.041
272 HG21 ILE 544 1HG2 ILE 544 7.999 2.432 -2.533
273 HG22 ILE 544 2HG2 ILE 544 6.556 2.674 -1.548
274 HG23 ILE 544 3HG2 ILE 544 7.230 1.055 -1.743
275 HD11 ILE 544 3HD1 ILE 544 10.809 3.582 0.845
276 HD12 ILE 544 1HD1 ILE 544 11.356 3.864 -0.806
277 HD13 ILE 544 2HD1 ILE 544 10.919 2.236 -0.289
278 H GLU 545 H GLU 545 8.568 0.422 1.717
279 HA GLU 545 HA GLU 545 7.880 -1.562 2.624
280 HB2 GLU 545 2HB GLU 545 4.998 -0.939 2.093
281 HB3 GLU 545 1HB GLU 545 5.707 -1.938 3.352
282 HG2 GLU 545 2HG GLU 545 6.656 0.198 4.324
283 HG3 GLU 545 1HG GLU 545 5.604 1.061 3.206
284 H GLY 546 H GLY 546 5.934 -3.324 1.844
285 HA2 GLY 546 2HA GLY 546 6.557 -3.673 -1.021
286 HA3 GLY 546 1HA GLY 546 6.327 -4.997 0.115
287 H LEU 547 H LEU 547 4.476 -2.068 -0.643
288 HA LEU 547 HA LEU 547 2.008 -3.549 -0.504
289 HB2 LEU 547 2HB LEU 547 1.027 -1.267 -1.123
290 HB3 LEU 547 1HB LEU 547 1.818 -1.437 0.432
291 HG LEU 547 HG LEU 547 3.816 -0.566 -1.351
292 HD11 LEU 547 1HD1 LEU 547 1.258 0.294 -2.265
293 HD12 LEU 547 2HD1 LEU 547 2.855 0.691 -2.894
294 HD13 LEU 547 3HD1 LEU 547 2.136 1.683 -1.625
295 HD21 LEU 547 3HD2 LEU 547 3.753 -0.028 0.984
296 HD22 LEU 547 1HD2 LEU 547 2.243 0.860 0.783
297 HD23 LEU 547 2HD2 LEU 547 3.728 1.470 0.053
298 H MET 548 H MET 548 3.114 -1.273 -3.011
299 HA MET 548 HA MET 548 3.103 -1.352 -5.277
300 HB2 MET 548 2HB MET 548 2.649 -4.296 -4.822
301 HB3 MET 548 1HB MET 548 2.857 -3.575 -6.410
302 HG2 MET 548 2HG MET 548 5.073 -3.295 -6.146
303 HG3 MET 548 1HG MET 548 4.935 -2.932 -4.428
304 HE1 MET 548 3HE MET 548 4.808 -6.193 -2.652
305 HE2 MET 548 1HE MET 548 3.286 -6.001 -3.524
306 HE3 MET 548 2HE MET 548 4.075 -4.598 -2.808
307 H HIS 549 H HIS 549 0.412 -2.579 -3.494
308 HA HIS 549 HA HIS 549 -1.402 -2.464 -5.742
309 HB2 HIS 549 2HB HIS 549 -3.058 -2.686 -3.611
310 HB3 HIS 549 1HB HIS 549 -2.290 -4.061 -4.393
311 HD1 HIS 549 1HD HIS 549 -0.988 -1.618 -1.776
312 HD2 HIS 549 2HD HIS 549 -1.471 -5.696 -2.404
313 HE1 HIS 549 1HE HIS 549 0.075 -2.732 0.207
314 HE2 HIS 549 2HE HIS 549 -0.323 -5.197 -0.141
315 H ASN 550 H ASN 550 -0.322 -0.432 -3.167
316 HA ASN 550 HA ASN 550 -0.610 1.792 -2.779
317 HB2 ASN 550 2HB ASN 550 -2.396 1.738 -5.223
318 HB3 ASN 550 1HB ASN 550 -1.848 3.189 -4.392
319 HD21 ASN 550 1HD2 ASN 550 -0.928 0.534 -6.434
320 HD22 ASN 550 2HD2 ASN 550 0.597 1.178 -6.927
321 H GLN 551 H GLN 551 -3.380 -0.292 -3.148
322 HA GLN 551 HA GLN 551 -5.217 -0.538 -1.852
323 HB2 GLN 551 2HB GLN 551 -4.291 1.830 -0.242
324 HB3 GLN 551 1HB GLN 551 -5.428 0.580 0.235
325 HG2 GLN 551 2HG GLN 551 -3.566 -1.070 0.018
326 HG3 GLN 551 1HG GLN 551 -2.473 0.300 -0.175
327 HE21 GLN 551 1HE2 GLN 551 -3.467 -1.865 1.981
328 HE22 GLN 551 2HE2 GLN 551 -3.312 -0.963 3.446
329 H ASP 552 H ASP 552 -7.101 -0.089 -2.599
330 HA ASP 552 HA ASP 552 -8.048 2.632 -2.854
331 HB2 ASP 552 2HB ASP 552 -7.317 0.952 -5.190
332 HB3 ASP 552 1HB ASP 552 -8.809 1.880 -5.307
333 H GLY 553 H GLY 553 -9.149 1.086 -1.051
334 HA2 GLY 553 2HA GLY 553 -11.192 0.296 -0.365
335 HA3 GLY 553 1HA GLY 553 -11.822 0.736 -1.945
336 H LEU 554 H LEU 554 -9.323 -1.596 -0.957
337 HA LEU 554 HA LEU 554 -10.814 -3.658 -2.436
338 HB2 LEU 554 2HB LEU 554 -7.922 -3.847 -1.649
339 HB3 LEU 554 1HB LEU 554 -8.775 -4.753 -2.883
340 HG LEU 554 HG LEU 554 -8.000 -1.840 -3.005
341 HD11 LEU 554 1HD1 LEU 554 -6.946 -4.352 -4.221
342 HD12 LEU 554 2HD1 LEU 554 -6.075 -2.992 -3.514
343 HD13 LEU 554 3HD1 LEU 554 -6.818 -2.833 -5.106
344 HD21 LEU 554 3HD2 LEU 554 -10.112 -2.038 -4.087
345 HD22 LEU 554 1HD2 LEU 554 -9.628 -3.531 -4.891
346 HD23 LEU 554 2HD2 LEU 554 -8.880 -2.001 -5.348
347 H ILE 555 H ILE 555 -9.679 -2.708 0.654
348 HA ILE 555 HA ILE 555 -10.238 -5.379 1.756
349 HB ILE 555 HB ILE 555 -8.880 -3.180 3.289
350 HG12 ILE 555 2HG1 ILE 555 -7.002 -5.113 2.242
351 HG13 ILE 555 1HG1 ILE 555 -7.833 -4.300 0.923
352 HG21 ILE 555 1HG2 ILE 555 -7.797 -5.277 4.310
353 HG22 ILE 555 2HG2 ILE 555 -9.096 -6.155 3.511
354 HG23 ILE 555 3HG2 ILE 555 -9.478 -4.921 4.706
355 HD11 ILE 555 3HD1 ILE 555 -7.039 -2.387 2.898
356 HD12 ILE 555 1HD1 ILE 555 -6.587 -2.497 1.196
357 HD13 ILE 555 2HD1 ILE 555 -5.660 -3.375 2.413
358 H CYS 556 H CYS 556 -10.757 -1.925 2.289
359 HA CYS 556 HA CYS 556 -12.598 -2.211 4.420
360 HB2 CYS 556 2HB CYS 556 -11.226 -0.128 3.586
361 HB3 CYS 556 1HB CYS 556 -12.629 0.153 2.572
362 H GLY 557 H GLY 557 -12.856 -2.603 1.052
363 HA2 GLY 557 2HA GLY 557 -15.608 -3.343 1.258
364 HA3 GLY 557 1HA GLY 557 -15.375 -1.847 0.367
365 H LEU 558 H LEU 558 -15.637 -5.081 0.103
366 HA LEU 558 HA LEU 558 -13.744 -5.677 -1.928
367 HB2 LEU 558 2HB LEU 558 -16.331 -7.058 -1.253
368 HB3 LEU 558 1HB LEU 558 -14.998 -7.743 -2.165
369 HG LEU 558 HG LEU 558 -13.681 -7.161 0.086
370 HD11 LEU 558 1HD1 LEU 558 -14.982 -6.589 1.786
371 HD12 LEU 558 2HD1 LEU 558 -15.791 -8.153 1.666
372 HD13 LEU 558 3HD1 LEU 558 -16.424 -6.763 0.781
373 HD21 LEU 558 3HD2 LEU 558 -13.879 -9.357 -1.036
374 HD22 LEU 558 1HD2 LEU 558 -15.423 -9.602 -0.218
375 HD23 LEU 558 2HD2 LEU 558 -13.937 -9.469 0.724
376 H ARG 559 H ARG 559 -16.687 -3.971 -1.947
377 HA ARG 559 HA ARG 559 -16.949 -4.337 -4.856
378 HB2 ARG 559 2HB ARG 559 -19.244 -3.245 -3.339
379 HB3 ARG 559 1HB ARG 559 -19.218 -4.360 -4.698
380 HG2 ARG 559 2HG ARG 559 -18.078 -5.647 -2.408
381 HG3 ARG 559 1HG ARG 559 -19.635 -4.940 -1.974
382 HD2 ARG 559 2HD ARG 559 -19.269 -6.598 -4.451
383 HD3 ARG 559 1HD ARG 559 -19.636 -7.324 -2.887
384 HE ARG 559 HE ARG 559 -21.462 -6.020 -4.615
385 HH11 ARG 559 1HH1 ARG 559 -20.705 -6.451 -1.236
386 HH12 ARG 559 2HH1 ARG 559 -22.332 -6.184 -0.708
387 HH21 ARG 559 1HH2 ARG 559 -23.605 -5.669 -3.922
388 HH22 ARG 559 2HH2 ARG 559 -23.978 -5.740 -2.232
389 H GLN 560 H GLN 560 -15.355 -2.337 -3.197
390 HA GLN 560 HA GLN 560 -16.634 0.193 -3.642
391 HB2 GLN 560 2HB GLN 560 -13.726 -0.387 -3.043
392 HB3 GLN 560 1HB GLN 560 -14.502 1.185 -2.951
393 HG2 GLN 560 2HG GLN 560 -14.509 -1.044 -1.051
394 HG3 GLN 560 1HG GLN 560 -14.648 0.691 -0.769
395 HE21 GLN 560 1HE2 GLN 560 -16.352 -2.254 -1.447
396 HE22 GLN 560 2HE2 GLN 560 -17.934 -1.683 -1.077
Start of MODEL 2
1 H1 ALA 507 1HT ALA 507 -13.922 -10.234 -0.279
2 H2 ALA 507 2HT ALA 507 -13.679 -9.812 1.367
3 H3 ALA 507 3HT ALA 507 -13.725 -11.463 0.898
4 HA ALA 507 HA ALA 507 -11.712 -11.387 -0.114
5 HB1 ALA 507 2HB ALA 507 -12.337 -8.511 -0.383
6 HB2 ALA 507 3HB ALA 507 -11.597 -9.628 -1.531
7 HB3 ALA 507 1HB ALA 507 -10.634 -8.942 -0.223
8 H GLN 508 H GLN 508 -12.231 -8.733 2.215
9 HA GLN 508 HA GLN 508 -11.108 -10.055 4.404
10 HB2 GLN 508 2HB GLN 508 -8.972 -8.640 4.535
11 HB3 GLN 508 1HB GLN 508 -8.971 -10.025 3.453
12 HG2 GLN 508 2HG GLN 508 -9.820 -8.061 1.786
13 HG3 GLN 508 1HG GLN 508 -8.752 -7.165 2.862
14 HE21 GLN 508 1HE2 GLN 508 -6.865 -6.917 1.904
15 HE22 GLN 508 2HE2 GLN 508 -5.988 -8.136 1.052
16 HA PRO 509 HA PRO 509 -12.998 -6.281 5.925
17 HB2 PRO 509 2HB PRO 509 -13.790 -7.176 8.249
18 HB3 PRO 509 1HB PRO 509 -14.404 -7.974 6.789
19 HG2 PRO 509 2HG PRO 509 -12.139 -8.795 8.572
20 HG3 PRO 509 1HG PRO 509 -13.491 -9.786 7.985
21 HD2 PRO 509 2HD PRO 509 -10.989 -9.687 6.806
22 HD3 PRO 509 1HD PRO 509 -12.477 -10.145 5.951
23 H LYS 510 H LYS 510 -11.595 -4.698 6.362
24 HA LYS 510 HA LYS 510 -10.290 -4.636 8.946
25 HB2 LYS 510 2HB LYS 510 -8.811 -4.814 6.382
26 HB3 LYS 510 1HB LYS 510 -8.188 -3.700 7.591
27 HG2 LYS 510 2HG LYS 510 -7.618 -5.371 9.041
28 HG3 LYS 510 1HG LYS 510 -8.851 -6.473 8.426
29 HD2 LYS 510 2HD LYS 510 -6.744 -5.710 6.513
30 HD3 LYS 510 1HD LYS 510 -6.219 -6.701 7.876
31 HE2 LYS 510 2HE LYS 510 -8.603 -7.860 6.985
32 HE3 LYS 510 1HE LYS 510 -7.708 -7.450 5.523
33 HZ1 LYS 510 3HZ LYS 510 -6.730 -9.417 5.917
34 HZ2 LYS 510 1HZ LYS 510 -7.114 -9.421 7.564
35 HZ3 LYS 510 2HZ LYS 510 -5.782 -8.539 7.008
36 H CYS 511 H CYS 511 -10.625 -2.983 5.879
37 HA CYS 511 HA CYS 511 -11.350 -0.916 5.335
38 HB2 CYS 511 2HB CYS 511 -12.293 -1.153 8.063
39 HB3 CYS 511 1HB CYS 511 -11.896 0.508 7.644
40 H ASN 512 H ASN 512 -8.709 -1.398 5.469
41 HA ASN 512 HA ASN 512 -7.726 1.261 6.186
42 HB2 ASN 512 2HB ASN 512 -6.924 -0.291 7.906
43 HB3 ASN 512 1HB ASN 512 -6.229 -1.323 6.662
44 HD21 ASN 512 1HD2 ASN 512 -6.027 2.075 6.130
45 HD22 ASN 512 2HD2 ASN 512 -4.361 2.255 6.542
46 HA PRO 513 HA PRO 513 -6.320 -0.298 1.942
47 HB2 PRO 513 2HB PRO 513 -8.320 0.149 0.265
48 HB3 PRO 513 1HB PRO 513 -8.341 -1.271 1.310
49 HG2 PRO 513 2HG PRO 513 -9.769 1.342 1.661
50 HG3 PRO 513 1HG PRO 513 -10.387 -0.301 1.879
51 HD2 PRO 513 2HD PRO 513 -9.488 1.311 3.930
52 HD3 PRO 513 1HD PRO 513 -9.549 -0.461 3.989
53 H ASN 514 H ASN 514 -8.470 1.926 0.486
54 HA ASN 514 HA ASN 514 -6.330 3.748 -0.021
55 HB2 ASN 514 2HB ASN 514 -7.777 4.771 -1.601
56 HB3 ASN 514 1HB ASN 514 -8.083 3.039 -1.692
57 HD21 ASN 514 1HD2 ASN 514 -10.142 2.620 -1.965
58 HD22 ASN 514 2HD2 ASN 514 -11.467 3.476 -1.262
59 H LEU 515 H LEU 515 -8.083 3.467 2.657
60 HA LEU 515 HA LEU 515 -8.561 6.333 3.005
61 HB2 LEU 515 2HB LEU 515 -9.363 3.994 4.741
62 HB3 LEU 515 1HB LEU 515 -9.782 5.672 5.040
63 HG LEU 515 HG LEU 515 -11.709 4.720 4.077
64 HD11 LEU 515 1HD1 LEU 515 -10.162 6.108 1.889
65 HD12 LEU 515 2HD1 LEU 515 -11.174 6.874 3.115
66 HD13 LEU 515 3HD1 LEU 515 -11.907 5.839 1.889
67 HD21 LEU 515 3HD2 LEU 515 -10.655 3.742 1.558
68 HD22 LEU 515 1HD2 LEU 515 -11.710 2.943 2.724
69 HD23 LEU 515 2HD2 LEU 515 -9.960 2.894 2.937
70 H HIS 516 H HIS 516 -5.945 5.516 2.817
71 HA HIS 516 HA HIS 516 -4.713 6.745 4.968
72 HB2 HIS 516 2HB HIS 516 -5.545 4.355 5.889
73 HB3 HIS 516 1HB HIS 516 -3.997 3.871 5.207
74 HD1 HIS 516 1HD HIS 516 -5.042 4.303 8.338
75 HD2 HIS 516 2HD HIS 516 -2.206 6.438 6.178
76 HE1 HIS 516 1HE HIS 516 -3.553 5.376 10.058
77 HE2 HIS 516 2HE HIS 516 -1.793 6.590 8.727
78 H TYR 517 H TYR 517 -4.544 4.367 2.422
79 HA TYR 517 HA TYR 517 -1.949 3.956 1.880
80 HB2 TYR 517 2HB TYR 517 -2.534 3.572 -0.366
81 HB3 TYR 517 1HB TYR 517 -4.021 3.291 0.525
82 HD1 TYR 517 2HD TYR 517 -5.433 5.614 0.830
83 HD2 TYR 517 1HD TYR 517 -2.782 4.693 -2.365
84 HE1 TYR 517 2HE TYR 517 -6.621 7.220 -0.603
85 HE2 TYR 517 1HE TYR 517 -3.955 6.299 -3.809
86 HH TYR 517 HH TYR 517 -6.268 8.528 -2.587
87 H TRP 518 H TRP 518 -3.672 6.950 1.125
88 HA TRP 518 HA TRP 518 -1.568 8.261 -0.216
89 HB2 TRP 518 2HB TRP 518 -2.901 10.350 0.498
90 HB3 TRP 518 1HB TRP 518 -3.726 9.172 -0.519
91 HD1 TRP 518 HD TRP 518 -3.336 8.364 3.170
92 HE1 TRP 518 1HE TRP 518 -5.637 8.466 4.304
93 HE3 TRP 518 3HE TRP 518 -6.033 10.376 -0.670
94 HZ2 TRP 518 2HZ TRP 518 -8.260 9.300 3.659
95 HZ3 TRP 518 3HZ TRP 518 -8.437 10.797 -0.333
96 HH2 TRP 518 HH TRP 518 -9.525 10.267 1.788
97 H THR 519 H THR 519 0.236 7.689 1.179
98 HA THR 519 HA THR 519 0.893 9.801 2.981
99 HB THR 519 HB THR 519 -0.434 8.608 4.546
100 HG1 THR 519 1HG THR 519 1.565 9.233 5.398
101 HG21 THR 519 3HG2 THR 519 1.053 6.069 4.367
102 HG22 THR 519 1HG2 THR 519 -0.162 6.393 3.130
103 HG23 THR 519 2HG2 THR 519 -0.619 6.384 4.835
104 H THR 520 H THR 520 1.653 6.394 2.379
105 HA THR 520 HA THR 520 4.443 7.176 1.872
106 HB THR 520 HB THR 520 4.189 5.886 3.978
107 HG1 THR 520 1HG THR 520 6.094 5.669 2.747
108 HG21 THR 520 3HG2 THR 520 2.682 4.072 2.251
109 HG22 THR 520 1HG2 THR 520 2.636 4.286 4.001
110 HG23 THR 520 2HG2 THR 520 3.892 3.287 3.268
111 H GLN 521 H GLN 521 1.615 5.964 0.597
112 HA GLN 521 HA GLN 521 2.975 4.372 -1.417
113 HB2 GLN 521 2HB GLN 521 1.110 3.115 -1.600
114 HB3 GLN 521 1HB GLN 521 0.711 3.821 -0.041
115 HG2 GLN 521 2HG GLN 521 -1.210 3.957 -1.411
116 HG3 GLN 521 1HG GLN 521 -0.566 5.585 -1.245
117 HE21 GLN 521 1HE2 GLN 521 -0.713 6.689 -3.024
118 HE22 GLN 521 2HE2 GLN 521 -0.533 6.087 -4.634
119 H ASP 522 H ASP 522 1.427 7.374 -0.909
120 HA ASP 522 HA ASP 522 1.457 7.952 -3.790
121 HB2 ASP 522 2HB ASP 522 -0.578 8.360 -1.944
122 HB3 ASP 522 1HB ASP 522 0.144 9.956 -2.131
123 H GLU 523 H GLU 523 3.327 8.202 -1.237
124 HA GLU 523 HA GLU 523 4.677 10.609 -2.197
125 HB2 GLU 523 2HB GLU 523 4.613 10.118 0.746
126 HB3 GLU 523 1HB GLU 523 4.804 11.633 -0.132
127 HG2 GLU 523 2HG GLU 523 2.346 11.168 -0.868
128 HG3 GLU 523 1HG GLU 523 2.325 10.143 0.568
129 H GLY 524 H GLY 524 4.682 7.488 -0.772
130 HA2 GLY 524 2HA GLY 524 7.624 7.426 -0.811
131 HA3 GLY 524 1HA GLY 524 6.621 6.401 0.210
132 H ALA 525 H ALA 525 4.687 6.075 -2.087
133 HA ALA 525 HA ALA 525 6.236 4.021 -3.509
134 HB1 ALA 525 1HB ALA 525 4.307 3.256 -2.122
135 HB2 ALA 525 2HB ALA 525 4.195 2.804 -3.824
136 HB3 ALA 525 3HB ALA 525 3.241 4.151 -3.202
137 H ALA 526 H ALA 526 5.889 6.933 -4.085
138 HA ALA 526 HA ALA 526 5.179 6.636 -6.914
139 HB1 ALA 526 1HB ALA 526 4.096 8.632 -4.978
140 HB2 ALA 526 2HB ALA 526 3.250 7.686 -6.205
141 HB3 ALA 526 3HB ALA 526 4.261 9.050 -6.685
142 H ILE 527 H ILE 527 7.434 7.518 -4.681
143 HA ILE 527 HA ILE 527 9.026 8.929 -6.654
144 HB ILE 527 HB ILE 527 9.622 10.413 -4.446
145 HG12 ILE 527 2HG1 ILE 527 7.395 9.238 -3.555
146 HG13 ILE 527 1HG1 ILE 527 7.816 10.891 -3.123
147 HG21 ILE 527 1HG2 ILE 527 8.441 12.245 -5.566
148 HG22 ILE 527 2HG2 ILE 527 7.608 11.073 -6.586
149 HG23 ILE 527 3HG2 ILE 527 9.357 11.257 -6.706
150 HD11 ILE 527 3HD1 ILE 527 6.144 10.434 -5.538
151 HD12 ILE 527 1HD1 ILE 527 6.152 11.786 -4.404
152 HD13 ILE 527 2HD1 ILE 527 5.409 10.254 -3.944
153 H GLY 528 H GLY 528 8.747 7.388 -3.495
154 HA2 GLY 528 2HA GLY 528 11.508 7.275 -2.907
155 HA3 GLY 528 1HA GLY 528 10.258 6.275 -2.187
156 H LEU 529 H LEU 529 10.774 4.205 -2.369
157 HA LEU 529 HA LEU 529 11.817 3.253 -4.949
158 HB2 LEU 529 2HB LEU 529 12.786 2.657 -2.179
159 HB3 LEU 529 1HB LEU 529 13.143 1.591 -3.514
160 HG LEU 529 HG LEU 529 14.058 4.428 -3.110
161 HD11 LEU 529 1HD1 LEU 529 15.458 2.890 -1.999
162 HD12 LEU 529 2HD1 LEU 529 16.283 3.299 -3.504
163 HD13 LEU 529 3HD1 LEU 529 15.426 1.764 -3.356
164 HD21 LEU 529 3HD2 LEU 529 13.453 4.368 -5.395
165 HD22 LEU 529 1HD2 LEU 529 14.126 2.753 -5.607
166 HD23 LEU 529 2HD2 LEU 529 15.198 4.126 -5.335
167 H ALA 530 H ALA 530 9.516 2.703 -5.293
168 HA ALA 530 HA ALA 530 8.687 0.251 -3.872
169 HB1 ALA 530 1HB ALA 530 7.152 2.299 -3.949
170 HB2 ALA 530 2HB ALA 530 6.452 0.746 -4.400
171 HB3 ALA 530 3HB ALA 530 6.912 1.902 -5.649
172 H TRP 531 H TRP 531 9.428 1.685 -6.911
173 HA TRP 531 HA TRP 531 8.589 -0.412 -8.651
174 HB2 TRP 531 2HB TRP 531 10.451 0.921 -10.095
175 HB3 TRP 531 1HB TRP 531 8.817 1.536 -9.851
176 HD1 TRP 531 HD TRP 531 12.203 1.787 -7.971
177 HE1 TRP 531 1HE TRP 531 12.395 4.158 -7.009
178 HE3 TRP 531 3HE TRP 531 7.726 3.654 -9.568
179 HZ2 TRP 531 2HZ TRP 531 10.844 6.539 -6.959
180 HZ3 TRP 531 3HZ TRP 531 7.150 5.981 -9.022
181 HH2 TRP 531 HH TRP 531 8.671 7.393 -7.742
182 H ILE 532 H ILE 532 11.105 -0.195 -6.450
183 HA ILE 532 HA ILE 532 12.864 -1.992 -7.960
184 HB ILE 532 HB ILE 532 13.856 0.094 -7.238
185 HG12 ILE 532 2HG1 ILE 532 14.993 -1.896 -5.308
186 HG13 ILE 532 1HG1 ILE 532 15.111 -2.183 -7.047
187 HG21 ILE 532 1HG2 ILE 532 12.341 -0.411 -4.860
188 HG22 ILE 532 2HG2 ILE 532 13.133 1.070 -5.398
189 HG23 ILE 532 3HG2 ILE 532 14.033 -0.119 -4.457
190 HD11 ILE 532 3HD1 ILE 532 16.805 -0.773 -7.206
191 HD12 ILE 532 1HD1 ILE 532 16.775 -0.601 -5.449
192 HD13 ILE 532 2HD1 ILE 532 15.848 0.512 -6.461
193 HA PRO 533 HA PRO 533 10.848 -4.795 -4.827
194 HB2 PRO 533 2HB PRO 533 11.677 -6.794 -6.846
195 HB3 PRO 533 1HB PRO 533 10.108 -6.564 -6.068
196 HG2 PRO 533 2HG PRO 533 10.502 -5.899 -8.629
197 HG3 PRO 533 1HG PRO 533 9.449 -4.940 -7.573
198 HD2 PRO 533 2HD PRO 533 12.247 -4.380 -8.479
199 HD3 PRO 533 1HD PRO 533 10.880 -3.268 -8.274
200 H TYR 534 H TYR 534 12.823 -4.132 -3.621
201 HA TYR 534 HA TYR 534 15.061 -6.000 -3.928
202 HB2 TYR 534 2HB TYR 534 15.654 -3.635 -3.926
203 HB3 TYR 534 1HB TYR 534 14.832 -3.405 -2.388
204 HD1 TYR 534 2HD TYR 534 16.742 -6.463 -2.840
205 HD2 TYR 534 1HD TYR 534 16.919 -2.428 -1.511
206 HE1 TYR 534 2HE TYR 534 18.837 -6.955 -1.648
207 HE2 TYR 534 1HE TYR 534 19.013 -2.905 -0.315
208 HH TYR 534 HH TYR 534 20.922 -5.415 -0.877
209 H PHE 535 H PHE 535 13.147 -4.509 -1.306
210 HA PHE 535 HA PHE 535 13.488 -7.010 0.216
211 HB2 PHE 535 2HB PHE 535 13.076 -5.390 2.241
212 HB3 PHE 535 1HB PHE 535 14.681 -5.537 1.536
213 HD1 PHE 535 2HD PHE 535 15.199 -3.825 -0.387
214 HD2 PHE 535 1HD PHE 535 12.205 -3.293 2.586
215 HE1 PHE 535 2HE PHE 535 15.261 -1.398 -0.776
216 HE2 PHE 535 1HE PHE 535 12.259 -0.862 2.209
217 HZ PHE 535 HZ PHE 535 13.787 0.089 0.532
218 H GLY 536 H GLY 536 11.357 -4.288 -0.509
219 HA2 GLY 536 2HA GLY 536 9.083 -4.045 -0.349
220 HA3 GLY 536 1HA GLY 536 9.027 -5.758 -0.727
221 HA PRO 537 HA PRO 537 7.100 -5.968 3.315
222 HB2 PRO 537 2HB PRO 537 6.552 -8.607 3.311
223 HB3 PRO 537 1HB PRO 537 5.632 -7.452 2.339
224 HG2 PRO 537 2HG PRO 537 7.855 -9.278 1.508
225 HG3 PRO 537 1HG PRO 537 6.328 -8.927 0.679
226 HD2 PRO 537 2HD PRO 537 8.690 -7.765 -0.006
227 HD3 PRO 537 1HD PRO 537 7.120 -6.965 -0.218
228 H ALA 538 H ALA 538 10.082 -7.162 2.406
229 HA ALA 538 HA ALA 538 10.693 -8.852 4.609
230 HB1 ALA 538 1HB ALA 538 12.808 -7.345 3.133
231 HB2 ALA 538 2HB ALA 538 11.884 -8.593 2.296
232 HB3 ALA 538 3HB ALA 538 12.820 -9.004 3.733
233 H ALA 539 H ALA 539 10.888 -5.427 3.980
234 HA ALA 539 HA ALA 539 12.206 -4.936 6.550
235 HB1 ALA 539 1HB ALA 539 12.469 -2.669 5.798
236 HB2 ALA 539 2HB ALA 539 11.405 -2.957 4.421
237 HB3 ALA 539 3HB ALA 539 12.981 -3.746 4.497
238 H GLU 540 H GLU 540 9.297 -4.245 4.719
239 HA GLU 540 HA GLU 540 7.346 -3.165 5.315
240 HB2 GLU 540 2HB GLU 540 6.015 -4.654 6.609
241 HB3 GLU 540 1HB GLU 540 7.155 -5.619 5.681
242 HG2 GLU 540 2HG GLU 540 8.595 -5.506 7.842
243 HG3 GLU 540 1HG GLU 540 7.064 -5.102 8.617
244 H GLY 541 H GLY 541 7.673 -1.113 6.092
245 HA2 GLY 541 2HA GLY 541 6.778 -0.118 8.311
246 HA3 GLY 541 1HA GLY 541 8.258 -0.810 8.951
247 H ILE 542 H ILE 542 9.232 0.044 6.003
248 HA ILE 542 HA ILE 542 10.331 2.554 6.972
249 HB ILE 542 HB ILE 542 10.845 1.446 4.234
250 HG12 ILE 542 2HG1 ILE 542 12.667 0.674 6.457
251 HG13 ILE 542 1HG1 ILE 542 11.162 -0.227 6.290
252 HG21 ILE 542 1HG2 ILE 542 11.639 3.733 5.204
253 HG22 ILE 542 2HG2 ILE 542 12.742 2.741 4.250
254 HG23 ILE 542 3HG2 ILE 542 12.856 2.744 6.010
255 HD11 ILE 542 3HD1 ILE 542 13.274 -1.085 5.102
256 HD12 ILE 542 1HD1 ILE 542 12.946 0.196 3.936
257 HD13 ILE 542 2HD1 ILE 542 11.746 -1.065 4.219
258 H TYR 543 H TYR 543 8.229 1.377 4.396
259 HA TYR 543 HA TYR 543 6.652 3.651 4.264
260 HB2 TYR 543 2HB TYR 543 7.593 4.345 1.849
261 HB3 TYR 543 1HB TYR 543 8.131 5.110 3.337
262 HD1 TYR 543 2HD TYR 543 9.143 1.713 2.263
263 HD2 TYR 543 1HD TYR 543 10.270 5.805 2.573
264 HE1 TYR 543 2HE TYR 543 11.463 1.109 1.722
265 HE2 TYR 543 1HE TYR 543 12.593 5.210 2.034
266 HH TYR 543 HH TYR 543 13.717 1.996 2.025
267 H ILE 544 H ILE 544 7.757 2.546 1.150
268 HA ILE 544 HA ILE 544 5.225 1.623 0.386
269 HB ILE 544 HB ILE 544 7.703 0.622 -0.965
270 HG12 ILE 544 2HG1 ILE 544 7.186 3.011 -2.219
271 HG13 ILE 544 1HG1 ILE 544 6.943 3.426 -0.528
272 HG21 ILE 544 1HG2 ILE 544 6.256 0.066 -2.550
273 HG22 ILE 544 2HG2 ILE 544 5.722 1.740 -2.685
274 HG23 ILE 544 3HG2 ILE 544 4.939 0.656 -1.537
275 HD11 ILE 544 3HD1 ILE 544 9.284 1.983 -0.500
276 HD12 ILE 544 1HD1 ILE 544 9.136 3.740 -0.449
277 HD13 ILE 544 2HD1 ILE 544 9.388 2.920 -1.989
278 H GLU 545 H GLU 545 8.152 -0.385 0.615
279 HA GLU 545 HA GLU 545 8.491 -2.475 1.450
280 HB2 GLU 545 2HB GLU 545 5.664 -2.469 2.501
281 HB3 GLU 545 1HB GLU 545 7.054 -3.379 3.101
282 HG2 GLU 545 2HG GLU 545 6.574 -0.417 3.315
283 HG3 GLU 545 1HG GLU 545 6.614 -1.598 4.620
284 H GLY 546 H GLY 546 5.835 -4.221 1.631
285 HA2 GLY 546 2HA GLY 546 6.165 -5.292 -1.047
286 HA3 GLY 546 1HA GLY 546 5.239 -6.016 0.261
287 H LEU 547 H LEU 547 4.304 -2.931 0.281
288 HA LEU 547 HA LEU 547 1.807 -3.497 -1.001
289 HB2 LEU 547 2HB LEU 547 1.050 -1.573 0.008
290 HB3 LEU 547 1HB LEU 547 2.380 -2.003 1.079
291 HG LEU 547 HG LEU 547 3.769 -0.475 -0.489
292 HD11 LEU 547 1HD1 LEU 547 2.723 0.887 -1.917
293 HD12 LEU 547 2HD1 LEU 547 1.406 1.216 -0.789
294 HD13 LEU 547 3HD1 LEU 547 1.374 -0.244 -1.785
295 HD21 LEU 547 3HD2 LEU 547 3.515 1.285 1.043
296 HD22 LEU 547 1HD2 LEU 547 3.112 -0.171 1.952
297 HD23 LEU 547 2HD2 LEU 547 1.826 0.882 1.356
298 H MET 548 H MET 548 1.374 -3.207 -3.038
299 HA MET 548 HA MET 548 2.653 -1.080 -4.571
300 HB2 MET 548 2HB MET 548 2.424 -3.773 -5.848
301 HB3 MET 548 1HB MET 548 3.445 -2.418 -6.294
302 HG2 MET 548 2HG MET 548 5.127 -3.376 -5.238
303 HG3 MET 548 1HG MET 548 4.257 -3.202 -3.722
304 HE1 MET 548 3HE MET 548 2.129 -4.862 -3.324
305 HE2 MET 548 1HE MET 548 2.171 -6.572 -3.751
306 HE3 MET 548 2HE MET 548 1.715 -5.373 -4.960
307 H HIS 549 H HIS 549 -0.123 -2.528 -3.630
308 HA HIS 549 HA HIS 549 -1.555 -2.352 -6.141
309 HB2 HIS 549 2HB HIS 549 -2.787 -2.717 -3.413
310 HB3 HIS 549 1HB HIS 549 -3.431 -3.214 -4.975
311 HD1 HIS 549 1HD HIS 549 -1.225 -4.319 -2.220
312 HD2 HIS 549 2HD HIS 549 -2.233 -5.565 -6.054
313 HE1 HIS 549 1HE HIS 549 -0.391 -6.684 -2.399
314 HE2 HIS 549 2HE HIS 549 -1.114 -7.453 -4.687
315 H ASN 550 H ASN 550 -0.777 -0.361 -3.473
316 HA ASN 550 HA ASN 550 -1.086 1.890 -3.189
317 HB2 ASN 550 2HB ASN 550 -3.137 1.924 -5.395
318 HB3 ASN 550 1HB ASN 550 -2.147 3.254 -4.801
319 HD21 ASN 550 1HD2 ASN 550 0.331 2.049 -4.734
320 HD22 ASN 550 2HD2 ASN 550 0.830 1.686 -6.348
321 H GLN 551 H GLN 551 -3.721 -0.347 -3.368
322 HA GLN 551 HA GLN 551 -5.459 -0.672 -1.958
323 HB2 GLN 551 2HB GLN 551 -4.784 1.901 -0.560
324 HB3 GLN 551 1HB GLN 551 -5.700 0.532 0.054
325 HG2 GLN 551 2HG GLN 551 -3.640 -0.841 -0.118
326 HG3 GLN 551 1HG GLN 551 -2.756 0.632 -0.515
327 HE21 GLN 551 1HE2 GLN 551 -3.551 -1.408 1.924
328 HE22 GLN 551 2HE2 GLN 551 -3.345 -0.350 3.274
329 H ASP 552 H ASP 552 -7.403 -0.467 -2.612
330 HA ASP 552 HA ASP 552 -8.627 2.113 -3.096
331 HB2 ASP 552 2HB ASP 552 -7.638 0.456 -5.253
332 HB3 ASP 552 1HB ASP 552 -9.381 0.667 -5.378
333 H GLY 553 H GLY 553 -9.439 0.772 -1.058
334 HA2 GLY 553 2HA GLY 553 -11.339 -0.091 -0.089
335 HA3 GLY 553 1HA GLY 553 -12.108 -0.007 -1.667
336 H LEU 554 H LEU 554 -9.391 -1.841 -0.282
337 HA LEU 554 HA LEU 554 -10.516 -4.270 -1.497
338 HB2 LEU 554 2HB LEU 554 -7.719 -3.825 -0.462
339 HB3 LEU 554 1HB LEU 554 -8.291 -5.199 -1.392
340 HG LEU 554 HG LEU 554 -7.882 -2.373 -2.354
341 HD11 LEU 554 1HD1 LEU 554 -5.886 -3.756 -2.273
342 HD12 LEU 554 2HD1 LEU 554 -6.364 -3.450 -3.943
343 HD13 LEU 554 3HD1 LEU 554 -6.703 -5.014 -3.201
344 HD21 LEU 554 3HD2 LEU 554 -8.626 -3.373 -4.585
345 HD22 LEU 554 1HD2 LEU 554 -9.884 -2.971 -3.414
346 HD23 LEU 554 2HD2 LEU 554 -9.375 -4.647 -3.623
347 H ILE 555 H ILE 555 -9.555 -2.802 1.498
348 HA ILE 555 HA ILE 555 -10.168 -5.295 2.936
349 HB ILE 555 HB ILE 555 -9.145 -3.616 4.852
350 HG12 ILE 555 2HG1 ILE 555 -8.524 -2.052 2.927
351 HG13 ILE 555 1HG1 ILE 555 -7.241 -2.475 4.050
352 HG21 ILE 555 1HG2 ILE 555 -7.164 -5.022 4.764
353 HG22 ILE 555 2HG2 ILE 555 -7.619 -5.579 3.154
354 HG23 ILE 555 3HG2 ILE 555 -8.630 -5.978 4.544
355 HD11 ILE 555 3HD1 ILE 555 -6.125 -3.748 2.507
356 HD12 ILE 555 1HD1 ILE 555 -6.816 -2.490 1.482
357 HD13 ILE 555 2HD1 ILE 555 -7.578 -4.078 1.564
358 H CYS 556 H CYS 556 -11.039 -1.944 2.549
359 HA CYS 556 HA CYS 556 -12.780 -1.860 4.823
360 HB2 CYS 556 2HB CYS 556 -11.585 0.077 3.416
361 HB3 CYS 556 1HB CYS 556 -13.122 0.059 2.568
362 H GLY 557 H GLY 557 -13.003 -3.286 1.819
363 HA2 GLY 557 2HA GLY 557 -15.778 -3.894 2.223
364 HA3 GLY 557 1HA GLY 557 -15.462 -2.910 0.796
365 H LEU 558 H LEU 558 -15.723 -4.274 -0.844
366 HA LEU 558 HA LEU 558 -13.805 -6.412 -1.131
367 HB2 LEU 558 2HB LEU 558 -16.542 -7.304 -1.753
368 HB3 LEU 558 1HB LEU 558 -15.184 -8.202 -1.107
369 HG LEU 558 HG LEU 558 -16.663 -6.250 0.624
370 HD11 LEU 558 1HD1 LEU 558 -18.205 -7.927 1.308
371 HD12 LEU 558 2HD1 LEU 558 -17.428 -9.139 0.289
372 HD13 LEU 558 3HD1 LEU 558 -18.300 -7.794 -0.448
373 HD21 LEU 558 3HD2 LEU 558 -15.347 -7.052 2.235
374 HD22 LEU 558 1HD2 LEU 558 -14.449 -7.919 0.988
375 HD23 LEU 558 2HD2 LEU 558 -15.778 -8.715 1.830
376 H ARG 559 H ARG 559 -16.474 -4.541 -2.449
377 HA ARG 559 HA ARG 559 -15.260 -4.814 -5.114
378 HB2 ARG 559 2HB ARG 559 -17.681 -4.502 -5.953
379 HB3 ARG 559 1HB ARG 559 -17.201 -6.086 -5.359
380 HG2 ARG 559 2HG ARG 559 -18.508 -5.940 -3.494
381 HG3 ARG 559 1HG ARG 559 -18.423 -4.178 -3.440
382 HD2 ARG 559 2HD ARG 559 -19.712 -4.787 -5.842
383 HD3 ARG 559 1HD ARG 559 -20.403 -5.887 -4.649
384 HE ARG 559 HE ARG 559 -21.430 -4.104 -3.651
385 HH11 ARG 559 1HH1 ARG 559 -18.947 -2.914 -5.795
386 HH12 ARG 559 2HH1 ARG 559 -19.420 -1.257 -5.627
387 HH21 ARG 559 1HH2 ARG 559 -22.053 -1.927 -3.426
388 HH22 ARG 559 2HH2 ARG 559 -21.184 -0.696 -4.281
389 H GLN 560 H GLN 560 -14.841 -2.765 -3.116
390 HA GLN 560 HA GLN 560 -16.311 -0.457 -3.371
391 HB2 GLN 560 2HB GLN 560 -13.321 -0.777 -3.067
392 HB3 GLN 560 1HB GLN 560 -14.142 0.769 -2.935
393 HG2 GLN 560 2HG GLN 560 -14.035 -1.496 -1.046
394 HG3 GLN 560 1HG GLN 560 -14.045 0.240 -0.740
395 HE21 GLN 560 1HE2 GLN 560 -16.047 -2.527 -1.554
396 HE22 GLN 560 2HE2 GLN 560 -17.527 -1.878 -0.950
Start of MODEL 3
1 H1 ALA 507 1HT ALA 507 -8.604 -10.537 -0.741
2 H2 ALA 507 2HT ALA 507 -9.315 -8.999 -1.016
3 H3 ALA 507 3HT ALA 507 -9.865 -10.370 -1.892
4 HA ALA 507 HA ALA 507 -11.253 -9.550 0.008
5 HB1 ALA 507 2HB ALA 507 -10.603 -12.404 0.438
6 HB2 ALA 507 3HB ALA 507 -11.060 -11.923 -1.197
7 HB3 ALA 507 1HB ALA 507 -12.158 -11.624 0.150
8 H GLN 508 H GLN 508 -10.996 -8.676 1.947
9 HA GLN 508 HA GLN 508 -9.949 -10.025 4.159
10 HB2 GLN 508 2HB GLN 508 -7.944 -8.438 4.509
11 HB3 GLN 508 1HB GLN 508 -7.750 -9.801 3.414
12 HG2 GLN 508 2HG GLN 508 -8.197 -8.292 1.513
13 HG3 GLN 508 1HG GLN 508 -8.279 -6.940 2.642
14 HE21 GLN 508 1HE2 GLN 508 -6.538 -6.441 0.879
15 HE22 GLN 508 2HE2 GLN 508 -4.913 -6.776 1.362
16 HA PRO 509 HA PRO 509 -12.226 -6.500 5.732
17 HB2 PRO 509 2HB PRO 509 -12.889 -7.480 8.069
18 HB3 PRO 509 1HB PRO 509 -13.437 -8.328 6.612
19 HG2 PRO 509 2HG PRO 509 -11.064 -8.915 8.350
20 HG3 PRO 509 1HG PRO 509 -12.323 -10.038 7.794
21 HD2 PRO 509 2HD PRO 509 -9.886 -9.725 6.553
22 HD3 PRO 509 1HD PRO 509 -11.356 -10.265 5.714
23 H LYS 510 H LYS 510 -11.124 -4.735 6.248
24 HA LYS 510 HA LYS 510 -9.799 -4.516 8.795
25 HB2 LYS 510 2HB LYS 510 -8.266 -4.541 6.246
26 HB3 LYS 510 1HB LYS 510 -7.764 -3.420 7.502
27 HG2 LYS 510 2HG LYS 510 -8.013 -6.406 7.800
28 HG3 LYS 510 1HG LYS 510 -6.510 -5.503 7.602
29 HD2 LYS 510 2HD LYS 510 -6.428 -5.021 9.778
30 HD3 LYS 510 1HD LYS 510 -8.089 -4.429 9.771
31 HE2 LYS 510 2HE LYS 510 -8.936 -6.664 10.070
32 HE3 LYS 510 1HE LYS 510 -7.314 -7.338 9.917
33 HZ1 LYS 510 3HZ LYS 510 -6.730 -6.649 11.998
34 HZ2 LYS 510 1HZ LYS 510 -8.380 -6.926 12.250
35 HZ3 LYS 510 2HZ LYS 510 -7.813 -5.350 12.014
36 H CYS 511 H CYS 511 -10.105 -2.927 5.691
37 HA CYS 511 HA CYS 511 -11.009 -0.947 5.074
38 HB2 CYS 511 2HB CYS 511 -12.083 -1.239 7.735
39 HB3 CYS 511 1HB CYS 511 -11.754 0.448 7.366
40 H ASN 512 H ASN 512 -8.367 -1.208 5.300
41 HA ASN 512 HA ASN 512 -7.599 1.527 6.009
42 HB2 ASN 512 2HB ASN 512 -6.773 0.098 7.810
43 HB3 ASN 512 1HB ASN 512 -5.979 -0.949 6.639
44 HD21 ASN 512 1HD2 ASN 512 -5.984 2.496 6.156
45 HD22 ASN 512 2HD2 ASN 512 -4.322 2.753 6.546
46 HA PRO 513 HA PRO 513 -5.864 -0.089 1.881
47 HB2 PRO 513 2HB PRO 513 -7.795 0.260 0.082
48 HB3 PRO 513 1HB PRO 513 -7.760 -1.178 1.102
49 HG2 PRO 513 2HG PRO 513 -9.401 1.311 1.415
50 HG3 PRO 513 1HG PRO 513 -9.902 -0.381 1.572
51 HD2 PRO 513 2HD PRO 513 -9.274 1.231 3.702
52 HD3 PRO 513 1HD PRO 513 -9.130 -0.537 3.714
53 H ASN 514 H ASN 514 -8.081 2.023 0.326
54 HA ASN 514 HA ASN 514 -6.005 3.932 -0.131
55 HB2 ASN 514 2HB ASN 514 -7.455 4.894 -1.751
56 HB3 ASN 514 1HB ASN 514 -7.664 3.150 -1.855
57 HD21 ASN 514 1HD2 ASN 514 -9.689 2.655 -2.241
58 HD22 ASN 514 2HD2 ASN 514 -11.079 3.421 -1.563
59 H LEU 515 H LEU 515 -7.840 3.577 2.489
60 HA LEU 515 HA LEU 515 -8.429 6.424 2.825
61 HB2 LEU 515 2HB LEU 515 -9.211 4.041 4.507
62 HB3 LEU 515 1HB LEU 515 -9.664 5.700 4.846
63 HG LEU 515 HG LEU 515 -11.562 4.786 3.824
64 HD11 LEU 515 1HD1 LEU 515 -11.715 5.890 1.630
65 HD12 LEU 515 2HD1 LEU 515 -9.967 6.139 1.647
66 HD13 LEU 515 3HD1 LEU 515 -10.984 6.930 2.853
67 HD21 LEU 515 3HD2 LEU 515 -10.137 3.741 1.431
68 HD22 LEU 515 1HD2 LEU 515 -11.614 3.166 2.208
69 HD23 LEU 515 2HD2 LEU 515 -10.042 2.813 2.927
70 H HIS 516 H HIS 516 -5.801 5.821 2.701
71 HA HIS 516 HA HIS 516 -4.655 7.065 4.850
72 HB2 HIS 516 2HB HIS 516 -5.361 4.406 5.565
73 HB3 HIS 516 1HB HIS 516 -3.607 4.454 5.417
74 HD1 HIS 516 1HD HIS 516 -4.920 4.051 8.159
75 HD2 HIS 516 2HD HIS 516 -3.807 7.754 6.639
76 HE1 HIS 516 1HE HIS 516 -4.625 5.539 10.165
77 HE2 HIS 516 2HE HIS 516 -3.864 7.749 9.225
78 H TYR 517 H TYR 517 -4.372 4.644 2.362
79 HA TYR 517 HA TYR 517 -1.758 4.232 1.929
80 HB2 TYR 517 2HB TYR 517 -2.243 3.854 -0.351
81 HB3 TYR 517 1HB TYR 517 -3.745 3.532 0.499
82 HD1 TYR 517 1HD TYR 517 -5.184 5.868 0.793
83 HD2 TYR 517 2HD TYR 517 -2.516 4.917 -2.380
84 HE1 TYR 517 1HE TYR 517 -6.375 7.445 -0.669
85 HE2 TYR 517 2HE TYR 517 -3.692 6.497 -3.850
86 HH TYR 517 HH TYR 517 -6.287 7.464 -3.812
87 H TRP 518 H TRP 518 -3.444 7.224 1.091
88 HA TRP 518 HA TRP 518 -1.281 8.524 -0.170
89 HB2 TRP 518 2HB TRP 518 -2.637 10.624 0.505
90 HB3 TRP 518 1HB TRP 518 -3.410 9.459 -0.569
91 HD1 TRP 518 HD TRP 518 -3.207 8.637 3.135
92 HE1 TRP 518 1HE TRP 518 -5.566 8.711 4.145
93 HE3 TRP 518 3HE TRP 518 -5.717 10.631 -0.841
94 HZ2 TRP 518 2HZ TRP 518 -8.161 9.521 3.361
95 HZ3 TRP 518 3HZ TRP 518 -8.138 11.027 -0.632
96 HH2 TRP 518 HH TRP 518 -9.332 10.482 1.427
97 H THR 519 H THR 519 0.450 7.924 1.318
98 HA THR 519 HA THR 519 1.049 10.035 3.147
99 HB THR 519 HB THR 519 -0.374 8.851 4.640
100 HG1 THR 519 1HG THR 519 2.262 8.001 5.232
101 HG21 THR 519 3HG2 THR 519 1.118 6.306 4.522
102 HG22 THR 519 1HG2 THR 519 -0.052 6.636 3.242
103 HG23 THR 519 2HG2 THR 519 -0.570 6.622 4.930
104 H THR 520 H THR 520 1.791 6.620 2.568
105 HA THR 520 HA THR 520 4.611 7.358 2.202
106 HB THR 520 HB THR 520 4.224 6.063 4.293
107 HG1 THR 520 1HG THR 520 6.203 5.690 3.564
108 HG21 THR 520 3HG2 THR 520 3.847 3.567 3.937
109 HG22 THR 520 1HG2 THR 520 3.128 4.026 2.393
110 HG23 THR 520 2HG2 THR 520 2.437 4.625 3.901
111 H GLN 521 H GLN 521 1.858 6.355 0.716
112 HA GLN 521 HA GLN 521 3.231 4.635 -1.175
113 HB2 GLN 521 2HB GLN 521 1.239 3.624 -1.653
114 HB3 GLN 521 1HB GLN 521 0.875 4.178 -0.027
115 HG2 GLN 521 2HG GLN 521 -0.995 4.792 -1.210
116 HG3 GLN 521 1HG GLN 521 -0.053 6.279 -1.192
117 HE21 GLN 521 1HE2 GLN 521 -0.406 7.265 -3.024
118 HE22 GLN 521 2HE2 GLN 521 -0.328 6.562 -4.599
119 H ASP 522 H ASP 522 1.440 7.590 -0.917
120 HA ASP 522 HA ASP 522 1.850 8.244 -3.724
121 HB2 ASP 522 2HB ASP 522 -0.160 8.872 -1.877
122 HB3 ASP 522 1HB ASP 522 0.693 10.386 -2.155
123 H GLU 523 H GLU 523 3.644 8.357 -1.083
124 HA GLU 523 HA GLU 523 5.210 10.645 -2.018
125 HB2 GLU 523 2HB GLU 523 5.121 10.166 0.916
126 HB3 GLU 523 1HB GLU 523 5.332 11.672 0.031
127 HG2 GLU 523 2HG GLU 523 2.827 11.212 -0.648
128 HG3 GLU 523 1HG GLU 523 2.843 10.280 0.850
129 H GLY 524 H GLY 524 4.952 7.530 -0.594
130 HA2 GLY 524 2HA GLY 524 7.881 7.248 -0.607
131 HA3 GLY 524 1HA GLY 524 6.800 6.317 0.422
132 H ALA 525 H ALA 525 4.854 6.065 -1.854
133 HA ALA 525 HA ALA 525 6.279 3.910 -3.265
134 HB1 ALA 525 1HB ALA 525 3.292 4.188 -2.959
135 HB2 ALA 525 2HB ALA 525 4.309 3.289 -1.833
136 HB3 ALA 525 3HB ALA 525 4.195 2.778 -3.518
137 H ALA 526 H ALA 526 6.177 6.793 -3.898
138 HA ALA 526 HA ALA 526 5.369 6.526 -6.698
139 HB1 ALA 526 1HB ALA 526 3.462 7.582 -5.833
140 HB2 ALA 526 2HB ALA 526 4.421 8.877 -6.552
141 HB3 ALA 526 3HB ALA 526 4.422 8.646 -4.804
142 H ILE 527 H ILE 527 7.705 7.368 -4.525
143 HA ILE 527 HA ILE 527 9.226 8.789 -6.551
144 HB ILE 527 HB ILE 527 9.921 10.227 -4.326
145 HG12 ILE 527 2HG1 ILE 527 7.705 9.090 -3.392
146 HG13 ILE 527 1HG1 ILE 527 8.129 10.749 -2.986
147 HG21 ILE 527 1HG2 ILE 527 8.423 12.028 -5.416
148 HG22 ILE 527 2HG2 ILE 527 8.108 10.793 -6.635
149 HG23 ILE 527 3HG2 ILE 527 9.757 11.345 -6.345
150 HD11 ILE 527 3HD1 ILE 527 6.411 11.613 -4.177
151 HD12 ILE 527 1HD1 ILE 527 5.715 10.033 -3.821
152 HD13 ILE 527 2HD1 ILE 527 6.460 10.335 -5.391
153 H GLY 528 H GLY 528 9.130 7.353 -3.314
154 HA2 GLY 528 2HA GLY 528 11.958 7.117 -3.050
155 HA3 GLY 528 1HA GLY 528 10.752 6.296 -2.070
156 H LEU 529 H LEU 529 10.507 4.155 -2.334
157 HA LEU 529 HA LEU 529 11.425 2.960 -4.847
158 HB2 LEU 529 2HB LEU 529 12.838 2.828 -2.417
159 HB3 LEU 529 1HB LEU 529 12.133 1.242 -2.663
160 HG LEU 529 HG LEU 529 13.153 1.325 -5.005
161 HD11 LEU 529 1HD1 LEU 529 13.692 3.920 -4.361
162 HD12 LEU 529 2HD1 LEU 529 14.491 3.003 -5.639
163 HD13 LEU 529 3HD1 LEU 529 15.241 3.135 -4.048
164 HD21 LEU 529 3HD2 LEU 529 14.005 -0.059 -3.154
165 HD22 LEU 529 1HD2 LEU 529 15.021 1.286 -2.638
166 HD23 LEU 529 2HD2 LEU 529 15.294 0.526 -4.206
167 H ALA 530 H ALA 530 9.312 2.558 -5.420
168 HA ALA 530 HA ALA 530 7.940 0.447 -3.873
169 HB1 ALA 530 1HB ALA 530 6.028 1.639 -5.513
170 HB2 ALA 530 2HB ALA 530 6.960 2.981 -4.853
171 HB3 ALA 530 3HB ALA 530 6.190 1.825 -3.767
172 H TRP 531 H TRP 531 9.222 1.506 -6.842
173 HA TRP 531 HA TRP 531 7.907 -0.270 -8.631
174 HB2 TRP 531 2HB TRP 531 10.349 0.405 -9.791
175 HB3 TRP 531 1HB TRP 531 8.841 1.295 -9.973
176 HD1 TRP 531 HD TRP 531 12.087 1.349 -7.915
177 HE1 TRP 531 1HE TRP 531 12.392 3.706 -6.940
178 HE3 TRP 531 3HE TRP 531 7.658 3.418 -9.403
179 HZ2 TRP 531 2HZ TRP 531 10.952 6.140 -6.834
180 HZ3 TRP 531 3HZ TRP 531 7.195 5.763 -8.824
181 HH2 TRP 531 HH TRP 531 8.803 7.098 -7.562
182 H ILE 532 H ILE 532 10.246 -0.728 -6.252
183 HA ILE 532 HA ILE 532 11.608 -2.913 -7.588
184 HB ILE 532 HB ILE 532 13.088 -3.008 -5.777
185 HG12 ILE 532 2HG1 ILE 532 11.435 -3.122 -3.957
186 HG13 ILE 532 1HG1 ILE 532 12.701 -1.957 -3.597
187 HG21 ILE 532 1HG2 ILE 532 13.523 -1.046 -7.020
188 HG22 ILE 532 2HG2 ILE 532 13.667 -0.597 -5.320
189 HG23 ILE 532 3HG2 ILE 532 12.218 -0.164 -6.227
190 HD11 ILE 532 3HD1 ILE 532 11.083 -0.206 -4.519
191 HD12 ILE 532 1HD1 ILE 532 10.749 -0.898 -2.933
192 HD13 ILE 532 2HD1 ILE 532 9.853 -1.456 -4.345
193 HA PRO 533 HA PRO 533 8.701 -5.848 -5.896
194 HB2 PRO 533 2HB PRO 533 9.585 -8.023 -7.149
195 HB3 PRO 533 1HB PRO 533 8.832 -6.699 -8.047
196 HG2 PRO 533 2HG PRO 533 11.727 -7.380 -7.745
197 HG3 PRO 533 1HG PRO 533 10.851 -6.824 -9.181
198 HD2 PRO 533 2HD PRO 533 12.375 -5.212 -7.508
199 HD3 PRO 533 1HD PRO 533 11.124 -4.632 -8.624
200 H TYR 534 H TYR 534 11.460 -5.266 -4.500
201 HA TYR 534 HA TYR 534 11.574 -7.862 -3.110
202 HB2 TYR 534 2HB TYR 534 13.943 -7.284 -2.541
203 HB3 TYR 534 1HB TYR 534 13.646 -7.596 -4.246
204 HD1 TYR 534 2HD TYR 534 13.703 -4.701 -1.873
205 HD2 TYR 534 1HD TYR 534 14.613 -6.159 -5.765
206 HE1 TYR 534 2HE TYR 534 14.734 -2.542 -2.434
207 HE2 TYR 534 1HE TYR 534 15.649 -4.003 -6.336
208 HH TYR 534 HH TYR 534 16.326 -1.608 -3.978
209 H PHE 535 H PHE 535 10.781 -4.620 -2.769
210 HA PHE 535 HA PHE 535 11.437 -4.534 0.073
211 HB2 PHE 535 2HB PHE 535 10.869 -2.553 -1.995
212 HB3 PHE 535 1HB PHE 535 10.019 -2.226 -0.491
213 HD1 PHE 535 1HD PHE 535 12.022 -3.251 1.461
214 HD2 PHE 535 2HD PHE 535 12.492 -0.883 -2.043
215 HE1 PHE 535 1HE PHE 535 14.073 -2.272 2.401
216 HE2 PHE 535 2HE PHE 535 14.545 0.097 -1.113
217 HZ PHE 535 HZ PHE 535 15.339 -0.597 1.114
218 H GLY 536 H GLY 536 9.316 -6.285 -1.226
219 HA2 GLY 536 2HA GLY 536 6.745 -5.419 -0.657
220 HA3 GLY 536 1HA GLY 536 7.258 -7.095 -0.615
221 HA PRO 537 HA PRO 537 6.140 -6.783 3.696
222 HB2 PRO 537 2HB PRO 537 7.294 -9.430 4.076
223 HB3 PRO 537 1HB PRO 537 5.601 -8.935 4.132
224 HG2 PRO 537 2HG PRO 537 6.624 -10.490 2.155
225 HG3 PRO 537 1HG PRO 537 5.261 -9.384 1.911
226 HD2 PRO 537 2HD PRO 537 8.148 -9.024 1.199
227 HD3 PRO 537 1HD PRO 537 6.694 -8.585 0.277
228 H ALA 538 H ALA 538 9.269 -6.904 2.476
229 HA ALA 538 HA ALA 538 10.650 -7.246 4.980
230 HB1 ALA 538 1HB ALA 538 11.595 -7.932 2.777
231 HB2 ALA 538 2HB ALA 538 12.661 -6.905 3.737
232 HB3 ALA 538 3HB ALA 538 11.768 -6.222 2.377
233 H ALA 539 H ALA 539 9.343 -4.589 3.169
234 HA ALA 539 HA ALA 539 10.828 -2.652 4.784
235 HB1 ALA 539 1HB ALA 539 10.926 -1.743 2.727
236 HB2 ALA 539 2HB ALA 539 9.328 -1.127 3.148
237 HB3 ALA 539 3HB ALA 539 9.481 -2.589 2.177
238 H GLU 540 H GLU 540 7.731 -4.061 4.388
239 HA GLU 540 HA GLU 540 5.786 -2.491 5.154
240 HB2 GLU 540 2HB GLU 540 6.479 -5.237 5.729
241 HB3 GLU 540 1HB GLU 540 5.440 -4.553 6.974
242 HG2 GLU 540 2HG GLU 540 4.726 -4.161 4.113
243 HG3 GLU 540 1HG GLU 540 4.434 -5.727 4.866
244 H GLY 541 H GLY 541 6.356 -0.619 6.295
245 HA2 GLY 541 2HA GLY 541 5.750 0.097 8.604
246 HA3 GLY 541 1HA GLY 541 6.951 -1.053 9.152
247 H ILE 542 H ILE 542 8.449 0.091 6.562
248 HA ILE 542 HA ILE 542 9.754 2.199 8.133
249 HB ILE 542 HB ILE 542 10.864 1.060 5.592
250 HG12 ILE 542 2HG1 ILE 542 11.846 -0.063 8.145
251 HG13 ILE 542 1HG1 ILE 542 10.242 -0.598 7.647
252 HG21 ILE 542 1HG2 ILE 542 11.931 2.567 7.944
253 HG22 ILE 542 2HG2 ILE 542 12.091 2.919 6.223
254 HG23 ILE 542 3HG2 ILE 542 13.005 1.592 6.940
255 HD11 ILE 542 3HD1 ILE 542 11.464 -2.169 6.594
256 HD12 ILE 542 1HD1 ILE 542 12.879 -1.127 6.439
257 HD13 ILE 542 2HD1 ILE 542 11.512 -0.926 5.342
258 H TYR 543 H TYR 543 8.158 1.590 5.070
259 HA TYR 543 HA TYR 543 7.317 4.210 4.713
260 HB2 TYR 543 2HB TYR 543 8.927 4.599 2.602
261 HB3 TYR 543 1HB TYR 543 9.299 5.201 4.211
262 HD1 TYR 543 2HD TYR 543 9.581 1.653 3.175
263 HD2 TYR 543 1HD TYR 543 11.660 5.270 4.011
264 HE1 TYR 543 2HE TYR 543 11.714 0.431 3.132
265 HE2 TYR 543 1HE TYR 543 13.797 4.057 3.968
266 HH TYR 543 HH TYR 543 13.969 0.631 3.939
267 H ILE 544 H ILE 544 8.756 2.833 1.855
268 HA ILE 544 HA ILE 544 6.388 2.704 0.430
269 HB ILE 544 HB ILE 544 8.766 0.931 -0.097
270 HG12 ILE 544 2HG1 ILE 544 8.938 3.268 -1.658
271 HG13 ILE 544 1HG1 ILE 544 8.620 3.811 -0.012
272 HG21 ILE 544 1HG2 ILE 544 6.316 1.457 -1.473
273 HG22 ILE 544 2HG2 ILE 544 7.617 0.346 -1.900
274 HG23 ILE 544 3HG2 ILE 544 7.673 2.022 -2.448
275 HD11 ILE 544 3HD1 ILE 544 10.869 3.714 0.102
276 HD12 ILE 544 1HD1 ILE 544 10.993 2.476 -1.147
277 HD13 ILE 544 2HD1 ILE 544 10.536 2.027 0.496
278 H GLU 545 H GLU 545 8.238 -0.177 1.417
279 HA GLU 545 HA GLU 545 7.551 -2.171 2.302
280 HB2 GLU 545 2HB GLU 545 4.683 -1.264 2.184
281 HB3 GLU 545 1HB GLU 545 5.403 -2.490 3.220
282 HG2 GLU 545 2HG GLU 545 6.544 -0.821 4.507
283 HG3 GLU 545 1HG GLU 545 6.030 0.447 3.404
284 H GLY 546 H GLY 546 7.398 -1.186 -0.620
285 HA2 GLY 546 2HA GLY 546 7.187 -2.319 -2.615
286 HA3 GLY 546 1HA GLY 546 6.662 -3.726 -1.706
287 H LEU 547 H LEU 547 4.384 -3.274 -0.639
288 HA LEU 547 HA LEU 547 2.183 -3.441 -1.168
289 HB2 LEU 547 2HB LEU 547 1.159 -1.219 -1.772
290 HB3 LEU 547 1HB LEU 547 2.108 -1.281 -0.303
291 HG LEU 547 HG LEU 547 3.896 -0.436 -2.297
292 HD11 LEU 547 1HD1 LEU 547 1.532 1.371 -2.428
293 HD12 LEU 547 2HD1 LEU 547 1.642 -0.005 -3.524
294 HD13 LEU 547 3HD1 LEU 547 2.902 1.227 -3.530
295 HD21 LEU 547 3HD2 LEU 547 3.257 0.231 0.238
296 HD22 LEU 547 1HD2 LEU 547 2.620 1.622 -0.640
297 HD23 LEU 547 2HD2 LEU 547 4.320 1.181 -0.800
298 H MET 548 H MET 548 3.046 -1.267 -3.859
299 HA MET 548 HA MET 548 2.983 -1.573 -6.124
300 HB2 MET 548 2HB MET 548 2.045 -4.399 -5.706
301 HB3 MET 548 1HB MET 548 2.852 -3.718 -7.110
302 HG2 MET 548 2HG MET 548 4.893 -4.007 -6.238
303 HG3 MET 548 1HG MET 548 4.382 -3.542 -4.620
304 HE1 MET 548 3HE MET 548 4.800 -6.328 -2.733
305 HE2 MET 548 1HE MET 548 3.067 -6.023 -2.860
306 HE3 MET 548 2HE MET 548 4.205 -4.678 -2.924
307 H HIS 549 H HIS 549 0.346 -2.498 -4.085
308 HA HIS 549 HA HIS 549 -1.604 -2.309 -6.225
309 HB2 HIS 549 2HB HIS 549 -3.135 -2.501 -4.009
310 HB3 HIS 549 1HB HIS 549 -2.452 -3.897 -4.835
311 HD1 HIS 549 1HD HIS 549 -0.840 -1.519 -2.338
312 HD2 HIS 549 2HD HIS 549 -1.681 -5.555 -2.836
313 HE1 HIS 549 1HE HIS 549 0.272 -2.675 -0.408
314 HE2 HIS 549 2HE HIS 549 -0.353 -5.105 -0.662
315 H ASN 550 H ASN 550 -0.265 -0.343 -3.719
316 HA ASN 550 HA ASN 550 -0.504 1.871 -3.221
317 HB2 ASN 550 2HB ASN 550 -2.313 1.945 -5.651
318 HB3 ASN 550 1HB ASN 550 -1.667 3.347 -4.809
319 HD21 ASN 550 1HD2 ASN 550 -0.948 0.676 -6.907
320 HD22 ASN 550 2HD2 ASN 550 0.603 1.234 -7.422
321 H GLN 551 H GLN 551 -3.078 -0.316 -3.241
322 HA GLN 551 HA GLN 551 -4.891 -0.521 -1.923
323 HB2 GLN 551 2HB GLN 551 -4.187 2.132 -0.694
324 HB3 GLN 551 1HB GLN 551 -5.157 0.840 -0.003
325 HG2 GLN 551 2HG GLN 551 -3.296 -0.540 0.323
326 HG3 GLN 551 1HG GLN 551 -2.273 0.464 -0.701
327 HE21 GLN 551 1HE2 GLN 551 -3.954 0.302 2.373
328 HE22 GLN 551 2HE2 GLN 551 -2.977 1.471 3.186
329 H ASP 552 H ASP 552 -6.808 -0.354 -2.662
330 HA ASP 552 HA ASP 552 -8.056 2.181 -3.260
331 HB2 ASP 552 2HB ASP 552 -6.732 1.113 -5.342
332 HB3 ASP 552 1HB ASP 552 -8.260 0.253 -5.505
333 H GLY 553 H GLY 553 -8.938 0.838 -1.260
334 HA2 GLY 553 2HA GLY 553 -10.861 -0.067 -0.381
335 HA3 GLY 553 1HA GLY 553 -11.548 -0.026 -1.999
336 H LEU 554 H LEU 554 -8.843 -1.768 -0.465
337 HA LEU 554 HA LEU 554 -9.889 -4.245 -1.658
338 HB2 LEU 554 2HB LEU 554 -7.096 -3.730 -0.648
339 HB3 LEU 554 1HB LEU 554 -7.648 -5.111 -1.580
340 HG LEU 554 HG LEU 554 -7.350 -2.269 -2.546
341 HD11 LEU 554 1HD1 LEU 554 -5.434 -4.124 -2.328
342 HD12 LEU 554 2HD1 LEU 554 -5.484 -2.938 -3.631
343 HD13 LEU 554 3HD1 LEU 554 -6.092 -4.571 -3.901
344 HD21 LEU 554 3HD2 LEU 554 -7.966 -3.421 -4.783
345 HD22 LEU 554 1HD2 LEU 554 -9.256 -2.940 -3.679
346 HD23 LEU 554 2HD2 LEU 554 -8.742 -4.626 -3.753
347 H ILE 555 H ILE 555 -8.884 -2.720 1.314
348 HA ILE 555 HA ILE 555 -9.464 -5.201 2.778
349 HB ILE 555 HB ILE 555 -8.476 -3.425 4.661
350 HG12 ILE 555 2HG1 ILE 555 -7.779 -1.955 2.732
351 HG13 ILE 555 1HG1 ILE 555 -6.474 -2.444 3.804
352 HG21 ILE 555 1HG2 ILE 555 -8.045 -5.873 4.335
353 HG22 ILE 555 2HG2 ILE 555 -6.643 -4.921 4.823
354 HG23 ILE 555 3HG2 ILE 555 -6.824 -5.427 3.143
355 HD11 ILE 555 3HD1 ILE 555 -6.375 -2.571 1.109
356 HD12 ILE 555 1HD1 ILE 555 -6.903 -4.208 1.502
357 HD13 ILE 555 2HD1 ILE 555 -5.409 -3.573 2.192
358 H CYS 556 H CYS 556 -10.648 -2.052 2.126
359 HA CYS 556 HA CYS 556 -12.314 -1.948 4.495
360 HB2 CYS 556 2HB CYS 556 -11.214 0.031 3.087
361 HB3 CYS 556 1HB CYS 556 -12.730 -0.079 2.210
362 H GLY 557 H GLY 557 -12.514 -3.977 2.210
363 HA2 GLY 557 2HA GLY 557 -15.218 -4.520 2.390
364 HA3 GLY 557 1HA GLY 557 -14.973 -3.599 0.906
365 H LEU 558 H LEU 558 -14.949 -4.943 -0.736
366 HA LEU 558 HA LEU 558 -12.996 -7.071 -0.792
367 HB2 LEU 558 2HB LEU 558 -15.649 -7.991 -1.689
368 HB3 LEU 558 1HB LEU 558 -14.366 -8.870 -0.882
369 HG LEU 558 HG LEU 558 -16.061 -6.894 0.618
370 HD11 LEU 558 1HD1 LEU 558 -16.689 -9.822 0.441
371 HD12 LEU 558 2HD1 LEU 558 -17.451 -8.627 -0.611
372 HD13 LEU 558 3HD1 LEU 558 -17.660 -8.524 1.138
373 HD21 LEU 558 3HD2 LEU 558 -13.842 -8.459 1.285
374 HD22 LEU 558 1HD2 LEU 558 -15.225 -9.273 2.017
375 HD23 LEU 558 2HD2 LEU 558 -14.897 -7.578 2.390
376 H ARG 559 H ARG 559 -15.543 -5.255 -2.399
377 HA ARG 559 HA ARG 559 -13.979 -5.350 -4.872
378 HB2 ARG 559 2HB ARG 559 -16.287 -5.436 -6.065
379 HB3 ARG 559 1HB ARG 559 -15.573 -6.927 -5.468
380 HG2 ARG 559 2HG ARG 559 -17.138 -7.194 -3.845
381 HG3 ARG 559 1HG ARG 559 -17.383 -5.459 -3.641
382 HD2 ARG 559 2HD ARG 559 -18.253 -5.889 -6.203
383 HD3 ARG 559 1HD ARG 559 -18.758 -7.362 -5.377
384 HE ARG 559 HE ARG 559 -19.814 -4.712 -5.005
385 HH11 ARG 559 1HH1 ARG 559 -19.405 -7.863 -3.561
386 HH12 ARG 559 2HH1 ARG 559 -20.759 -7.688 -2.496
387 HH21 ARG 559 1HH2 ARG 559 -21.595 -4.480 -3.605
388 HH22 ARG 559 2HH2 ARG 559 -22.002 -5.767 -2.520
389 H GLN 560 H GLN 560 -14.037 -3.302 -2.986
390 HA GLN 560 HA GLN 560 -15.836 -1.268 -3.177
391 HB2 GLN 560 2HB GLN 560 -12.823 -1.063 -3.081
392 HB3 GLN 560 1HB GLN 560 -13.899 0.304 -2.841
393 HG2 GLN 560 2HG GLN 560 -13.349 -2.016 -1.062
394 HG3 GLN 560 1HG GLN 560 -13.435 -0.296 -0.679
395 HE21 GLN 560 1HE2 GLN 560 -15.323 -3.158 -1.418
396 HE22 GLN 560 2HE2 GLN 560 -16.783 -2.625 -0.667
Start of MODEL 4
1 H1 ALA 507 1HT ALA 507 -10.197 -9.044 -1.709
2 H2 ALA 507 2HT ALA 507 -8.575 -9.569 -1.508
3 H3 ALA 507 3HT ALA 507 -9.231 -8.378 -0.460
4 HA ALA 507 HA ALA 507 -10.943 -10.144 0.091
5 HB1 ALA 507 2HB ALA 507 -10.632 -11.932 -1.263
6 HB2 ALA 507 3HB ALA 507 -9.503 -12.394 0.011
7 HB3 ALA 507 1HB ALA 507 -8.907 -11.624 -1.459
8 H GLN 508 H GLN 508 -10.239 -8.681 1.819
9 HA GLN 508 HA GLN 508 -8.987 -10.049 3.914
10 HB2 GLN 508 2HB GLN 508 -6.977 -8.455 4.111
11 HB3 GLN 508 1HB GLN 508 -6.871 -9.778 2.958
12 HG2 GLN 508 2HG GLN 508 -7.530 -8.205 1.164
13 HG3 GLN 508 1HG GLN 508 -7.487 -6.898 2.345
14 HE21 GLN 508 1HE2 GLN 508 -5.304 -7.199 3.741
15 HE22 GLN 508 2HE2 GLN 508 -3.885 -7.216 2.756
16 HA PRO 509 HA PRO 509 -11.165 -6.578 5.728
17 HB2 PRO 509 2HB PRO 509 -11.639 -7.612 8.086
18 HB3 PRO 509 1HB PRO 509 -12.285 -8.440 6.658
19 HG2 PRO 509 2HG PRO 509 -9.782 -9.029 8.199
20 HG3 PRO 509 1HG PRO 509 -11.067 -10.158 7.719
21 HD2 PRO 509 2HD PRO 509 -8.733 -9.784 6.303
22 HD3 PRO 509 1HD PRO 509 -10.254 -10.336 5.570
23 H LYS 510 H LYS 510 -9.987 -4.829 6.145
24 HA LYS 510 HA LYS 510 -8.464 -4.659 8.593
25 HB2 LYS 510 2HB LYS 510 -7.193 -4.628 5.914
26 HB3 LYS 510 1HB LYS 510 -6.610 -3.456 7.088
27 HG2 LYS 510 2HG LYS 510 -5.914 -5.145 8.577
28 HG3 LYS 510 1HG LYS 510 -6.801 -6.390 7.696
29 HD2 LYS 510 2HD LYS 510 -5.083 -5.237 5.818
30 HD3 LYS 510 1HD LYS 510 -4.119 -5.407 7.286
31 HE2 LYS 510 2HE LYS 510 -5.806 -7.710 6.486
32 HE3 LYS 510 1HE LYS 510 -4.383 -7.370 5.502
33 HZ1 LYS 510 3HZ LYS 510 -3.061 -7.416 7.573
34 HZ2 LYS 510 1HZ LYS 510 -3.789 -8.900 7.215
35 HZ3 LYS 510 2HZ LYS 510 -4.439 -7.907 8.419
36 H CYS 511 H CYS 511 -9.226 -3.011 5.604
37 HA CYS 511 HA CYS 511 -10.201 -1.027 5.152
38 HB2 CYS 511 2HB CYS 511 -10.913 -1.387 7.951
39 HB3 CYS 511 1HB CYS 511 -10.780 0.305 7.489
40 H ASN 512 H ASN 512 -7.562 -1.217 5.062
41 HA ASN 512 HA ASN 512 -6.752 1.485 5.847
42 HB2 ASN 512 2HB ASN 512 -5.664 -0.063 7.388
43 HB3 ASN 512 1HB ASN 512 -5.046 -1.007 6.040
44 HD21 ASN 512 1HD2 ASN 512 -5.139 2.484 5.963
45 HD22 ASN 512 2HD2 ASN 512 -3.434 2.720 6.083
46 HA PRO 513 HA PRO 513 -5.590 0.284 1.416
47 HB2 PRO 513 2HB PRO 513 -7.770 0.491 -0.073
48 HB3 PRO 513 1HB PRO 513 -7.491 -0.950 0.904
49 HG2 PRO 513 2HG PRO 513 -9.271 1.392 1.462
50 HG3 PRO 513 1HG PRO 513 -9.587 -0.335 1.698
51 HD2 PRO 513 2HD PRO 513 -8.757 1.415 3.686
52 HD3 PRO 513 1HD PRO 513 -8.591 -0.349 3.735
53 H ASN 514 H ASN 514 -8.153 2.224 0.237
54 HA ASN 514 HA ASN 514 -6.312 4.352 -0.343
55 HB2 ASN 514 2HB ASN 514 -7.906 5.122 -1.901
56 HB3 ASN 514 1HB ASN 514 -8.000 3.364 -1.963
57 HD21 ASN 514 1HD2 ASN 514 -9.997 2.693 -2.175
58 HD22 ASN 514 2HD2 ASN 514 -11.400 3.389 -1.448
59 H LEU 515 H LEU 515 -7.464 3.910 2.453
60 HA LEU 515 HA LEU 515 -8.718 6.533 2.813
61 HB2 LEU 515 2HB LEU 515 -8.583 4.140 4.646
62 HB3 LEU 515 1HB LEU 515 -9.300 5.679 5.086
63 HG LEU 515 HG LEU 515 -11.165 4.463 4.476
64 HD11 LEU 515 1HD1 LEU 515 -11.105 6.529 3.183
65 HD12 LEU 515 2HD1 LEU 515 -11.913 5.245 2.282
66 HD13 LEU 515 3HD1 LEU 515 -10.256 5.701 1.878
67 HD21 LEU 515 3HD2 LEU 515 -10.984 3.123 2.174
68 HD22 LEU 515 1HD2 LEU 515 -10.529 2.415 3.725
69 HD23 LEU 515 2HD2 LEU 515 -9.287 3.069 2.657
70 H HIS 516 H HIS 516 -5.825 4.798 3.303
71 HA HIS 516 HA HIS 516 -4.726 7.068 4.807
72 HB2 HIS 516 2HB HIS 516 -5.079 4.628 5.953
73 HB3 HIS 516 1HB HIS 516 -3.454 4.453 5.298
74 HD1 HIS 516 1HD HIS 516 -4.114 4.591 8.369
75 HD2 HIS 516 2HD HIS 516 -2.792 7.762 6.032
76 HE1 HIS 516 1HE HIS 516 -3.050 6.209 9.973
77 HE2 HIS 516 2HE HIS 516 -2.175 8.076 8.524
78 H TYR 517 H TYR 517 -4.504 4.948 2.149
79 HA TYR 517 HA TYR 517 -1.935 4.570 1.493
80 HB2 TYR 517 2HB TYR 517 -2.562 4.626 -0.812
81 HB3 TYR 517 1HB TYR 517 -3.960 4.069 0.091
82 HD1 TYR 517 1HD TYR 517 -5.547 6.125 0.879
83 HD2 TYR 517 2HD TYR 517 -2.981 6.121 -2.512
84 HE1 TYR 517 1HE TYR 517 -6.931 7.872 -0.159
85 HE2 TYR 517 2HE TYR 517 -4.353 7.873 -3.559
86 HH TYR 517 HH TYR 517 -6.573 8.786 -3.448
87 H TRP 518 H TRP 518 -3.604 7.662 0.921
88 HA TRP 518 HA TRP 518 -1.436 9.094 -0.118
89 HB2 TRP 518 2HB TRP 518 -2.783 11.099 0.838
90 HB3 TRP 518 1HB TRP 518 -3.542 10.098 -0.398
91 HD1 TRP 518 HD TRP 518 -3.391 8.751 3.151
92 HE1 TRP 518 1HE TRP 518 -5.762 8.688 4.131
93 HE3 TRP 518 3HE TRP 518 -5.843 11.318 -0.522
94 HZ2 TRP 518 2HZ TRP 518 -8.344 9.617 3.442
95 HZ3 TRP 518 3HZ TRP 518 -8.264 11.689 -0.287
96 HH2 TRP 518 HH TRP 518 -9.488 10.855 1.654
97 H THR 519 H THR 519 0.370 8.463 1.224
98 HA THR 519 HA THR 519 1.016 10.323 3.234
99 HB THR 519 HB THR 519 -0.573 9.099 4.593
100 HG1 THR 519 1HG THR 519 2.089 8.420 5.294
101 HG21 THR 519 3HG2 THR 519 -0.215 6.919 3.241
102 HG22 THR 519 1HG2 THR 519 -0.626 6.841 4.957
103 HG23 THR 519 2HG2 THR 519 1.045 6.608 4.439
104 H THR 520 H THR 520 1.533 6.916 2.422
105 HA THR 520 HA THR 520 4.407 7.462 2.162
106 HB THR 520 HB THR 520 3.983 6.102 4.166
107 HG1 THR 520 1HG THR 520 5.847 5.659 2.899
108 HG21 THR 520 3HG2 THR 520 2.448 4.397 2.268
109 HG22 THR 520 1HG2 THR 520 2.048 4.899 3.911
110 HG23 THR 520 2HG2 THR 520 3.275 3.661 3.641
111 H GLN 521 H GLN 521 1.639 6.826 0.575
112 HA GLN 521 HA GLN 521 2.834 5.050 -1.382
113 HB2 GLN 521 2HB GLN 521 0.716 4.373 -1.992
114 HB3 GLN 521 1HB GLN 521 0.462 4.752 -0.295
115 HG2 GLN 521 2HG GLN 521 -1.323 5.808 -1.206
116 HG3 GLN 521 1HG GLN 521 -0.148 7.117 -1.256
117 HE21 GLN 521 1HE2 GLN 521 -0.280 8.196 -3.038
118 HE22 GLN 521 2HE2 GLN 521 -0.578 7.568 -4.617
119 H ASP 522 H ASP 522 1.533 8.213 -0.923
120 HA ASP 522 HA ASP 522 2.048 8.966 -3.700
121 HB2 ASP 522 2HB ASP 522 0.055 9.722 -1.864
122 HB3 ASP 522 1HB ASP 522 1.075 11.141 -2.068
123 H GLU 523 H GLU 523 3.700 8.731 -0.968
124 HA GLU 523 HA GLU 523 5.556 10.878 -1.689
125 HB2 GLU 523 2HB GLU 523 5.299 10.219 1.196
126 HB3 GLU 523 1HB GLU 523 5.676 11.754 0.426
127 HG2 GLU 523 2HG GLU 523 3.158 11.569 -0.352
128 HG3 GLU 523 1HG GLU 523 3.045 10.549 1.082
129 H GLY 524 H GLY 524 4.896 7.715 -0.529
130 HA2 GLY 524 2HA GLY 524 7.772 7.111 -0.444
131 HA3 GLY 524 1HA GLY 524 6.554 6.245 0.485
132 H ALA 525 H ALA 525 4.684 6.340 -1.867
133 HA ALA 525 HA ALA 525 5.935 4.139 -3.372
134 HB1 ALA 525 1HB ALA 525 3.854 3.650 -2.041
135 HB2 ALA 525 2HB ALA 525 3.761 3.246 -3.755
136 HB3 ALA 525 3HB ALA 525 2.984 4.710 -3.150
137 H ALA 526 H ALA 526 6.120 7.067 -3.795
138 HA ALA 526 HA ALA 526 5.415 7.062 -6.634
139 HB1 ALA 526 1HB ALA 526 4.663 9.458 -6.382
140 HB2 ALA 526 2HB ALA 526 4.619 9.160 -4.643
141 HB3 ALA 526 3HB ALA 526 3.581 8.230 -5.725
142 H ILE 527 H ILE 527 7.727 7.534 -4.319
143 HA ILE 527 HA ILE 527 9.468 8.904 -6.193
144 HB ILE 527 HB ILE 527 10.188 10.167 -3.879
145 HG12 ILE 527 2HG1 ILE 527 7.851 9.181 -3.077
146 HG13 ILE 527 1HG1 ILE 527 8.400 10.776 -2.571
147 HG21 ILE 527 1HG2 ILE 527 9.252 12.183 -4.893
148 HG22 ILE 527 2HG2 ILE 527 8.292 11.186 -5.987
149 HG23 ILE 527 3HG2 ILE 527 10.052 11.167 -6.093
150 HD11 ILE 527 3HD1 ILE 527 6.788 11.836 -3.739
151 HD12 ILE 527 1HD1 ILE 527 5.967 10.287 -3.546
152 HD13 ILE 527 2HD1 ILE 527 6.809 10.658 -5.052
153 H GLY 528 H GLY 528 9.170 7.563 -2.910
154 HA2 GLY 528 2HA GLY 528 11.922 6.922 -2.639
155 HA3 GLY 528 1HA GLY 528 10.612 6.280 -1.658
156 H LEU 529 H LEU 529 9.565 4.352 -2.304
157 HA LEU 529 HA LEU 529 10.796 2.935 -4.553
158 HB2 LEU 529 2HB LEU 529 11.134 2.303 -1.742
159 HB3 LEU 529 1HB LEU 529 10.452 0.956 -2.634
160 HG LEU 529 HG LEU 529 12.358 1.191 -4.264
161 HD11 LEU 529 1HD1 LEU 529 13.018 3.356 -2.373
162 HD12 LEU 529 2HD1 LEU 529 13.378 3.197 -4.092
163 HD13 LEU 529 3HD1 LEU 529 14.360 2.343 -2.902
164 HD21 LEU 529 3HD2 LEU 529 13.511 -0.351 -3.103
165 HD22 LEU 529 1HD2 LEU 529 12.171 -0.220 -1.964
166 HD23 LEU 529 2HD2 LEU 529 13.661 0.679 -1.680
167 H ALA 530 H ALA 530 9.647 0.576 -4.470
168 HA ALA 530 HA ALA 530 7.322 -0.328 -3.926
169 HB1 ALA 530 1HB ALA 530 6.705 2.193 -5.451
170 HB2 ALA 530 2HB ALA 530 6.090 1.693 -3.877
171 HB3 ALA 530 3HB ALA 530 5.566 0.853 -5.335
172 H TRP 531 H TRP 531 9.072 0.994 -6.577
173 HA TRP 531 HA TRP 531 8.035 -0.674 -8.642
174 HB2 TRP 531 2HB TRP 531 10.557 0.122 -9.480
175 HB3 TRP 531 1HB TRP 531 9.060 1.005 -9.757
176 HD1 TRP 531 HD TRP 531 12.117 0.981 -7.436
177 HE1 TRP 531 1HE TRP 531 12.288 3.275 -6.293
178 HE3 TRP 531 3HE TRP 531 7.754 3.051 -9.110
179 HZ2 TRP 531 2HZ TRP 531 10.780 5.662 -6.129
180 HZ3 TRP 531 3HZ TRP 531 7.190 5.342 -8.414
181 HH2 TRP 531 HH TRP 531 8.669 6.622 -6.952
182 H ILE 532 H ILE 532 10.145 -1.215 -6.051
183 HA ILE 532 HA ILE 532 11.624 -3.339 -7.379
184 HB ILE 532 HB ILE 532 12.991 -3.493 -5.478
185 HG12 ILE 532 2HG1 ILE 532 11.149 -3.566 -3.789
186 HG13 ILE 532 1HG1 ILE 532 12.513 -2.567 -3.304
187 HG21 ILE 532 1HG2 ILE 532 13.508 -1.517 -6.679
188 HG22 ILE 532 2HG2 ILE 532 13.592 -1.109 -4.965
189 HG23 ILE 532 3HG2 ILE 532 12.188 -0.627 -5.918
190 HD11 ILE 532 3HD1 ILE 532 11.150 -0.609 -4.232
191 HD12 ILE 532 1HD1 ILE 532 10.664 -1.317 -2.693
192 HD13 ILE 532 2HD1 ILE 532 9.782 -1.721 -4.166
193 HA PRO 533 HA PRO 533 8.674 -6.351 -5.936
194 HB2 PRO 533 2HB PRO 533 9.716 -8.507 -7.098
195 HB3 PRO 533 1HB PRO 533 9.025 -7.197 -8.065
196 HG2 PRO 533 2HG PRO 533 11.892 -7.819 -7.487
197 HG3 PRO 533 1HG PRO 533 11.146 -7.280 -9.002
198 HD2 PRO 533 2HD PRO 533 12.469 -5.637 -7.192
199 HD3 PRO 533 1HD PRO 533 11.317 -5.084 -8.423
200 H TYR 534 H TYR 534 11.052 -5.658 -4.147
201 HA TYR 534 HA TYR 534 11.071 -8.225 -2.729
202 HB2 TYR 534 2HB TYR 534 13.465 -7.731 -2.051
203 HB3 TYR 534 1HB TYR 534 13.212 -8.233 -3.717
204 HD1 TYR 534 1HD TYR 534 13.651 -5.196 -1.608
205 HD2 TYR 534 2HD TYR 534 14.066 -6.947 -5.463
206 HE1 TYR 534 1HE TYR 534 14.861 -3.200 -2.377
207 HE2 TYR 534 2HE TYR 534 15.275 -4.953 -6.244
208 HH TYR 534 HH TYR 534 16.485 -2.596 -4.143
209 H PHE 535 H PHE 535 10.084 -5.157 -2.550
210 HA PHE 535 HA PHE 535 10.897 -4.669 0.210
211 HB2 PHE 535 2HB PHE 535 9.952 -3.032 -2.005
212 HB3 PHE 535 1HB PHE 535 9.111 -2.664 -0.503
213 HD1 PHE 535 2HD PHE 535 12.622 -3.455 -1.499
214 HD2 PHE 535 1HD PHE 535 9.987 -0.892 0.642
215 HE1 PHE 535 2HE PHE 535 14.541 -2.100 -0.771
216 HE2 PHE 535 1HE PHE 535 11.902 0.469 1.377
217 HZ PHE 535 HZ PHE 535 14.183 -0.135 0.671
218 H GLY 536 H GLY 536 8.936 -6.822 -0.725
219 HA2 GLY 536 2HA GLY 536 6.323 -6.226 -0.022
220 HA3 GLY 536 1HA GLY 536 7.058 -7.811 0.151
221 HA PRO 537 HA PRO 537 6.393 -7.183 4.503
222 HB2 PRO 537 2HB PRO 537 7.642 -9.363 5.452
223 HB3 PRO 537 1HB PRO 537 6.124 -9.477 4.553
224 HG2 PRO 537 2HG PRO 537 8.927 -9.940 3.608
225 HG3 PRO 537 1HG PRO 537 7.462 -10.882 3.271
226 HD2 PRO 537 2HD PRO 537 8.516 -9.045 1.540
227 HD3 PRO 537 1HD PRO 537 6.794 -9.470 1.594
228 H ALA 538 H ALA 538 9.349 -6.850 2.962
229 HA ALA 538 HA ALA 538 11.018 -6.650 5.297
230 HB1 ALA 538 1HB ALA 538 11.638 -5.675 2.517
231 HB2 ALA 538 2HB ALA 538 11.835 -7.350 3.035
232 HB3 ALA 538 3HB ALA 538 12.779 -6.071 3.802
233 H ALA 539 H ALA 539 9.086 -4.487 3.367
234 HA ALA 539 HA ALA 539 10.230 -2.148 4.701
235 HB1 ALA 539 1HB ALA 539 8.784 -2.617 2.194
236 HB2 ALA 539 2HB ALA 539 10.037 -1.438 2.582
237 HB3 ALA 539 3HB ALA 539 8.362 -1.130 3.042
238 H GLU 540 H GLU 540 7.616 -4.275 4.916
239 HA GLU 540 HA GLU 540 5.403 -2.932 5.608
240 HB2 GLU 540 2HB GLU 540 4.723 -4.815 6.837
241 HB3 GLU 540 1HB GLU 540 5.830 -5.415 5.609
242 HG2 GLU 540 2HG GLU 540 7.628 -5.281 7.417
243 HG3 GLU 540 1HG GLU 540 6.290 -5.117 8.554
244 H GLY 541 H GLY 541 5.260 -1.097 6.722
245 HA2 GLY 541 2HA GLY 541 4.884 -0.108 8.843
246 HA3 GLY 541 1HA GLY 541 6.130 -1.137 9.519
247 H ILE 542 H ILE 542 7.551 -0.082 6.807
248 HA ILE 542 HA ILE 542 8.767 2.171 8.243
249 HB ILE 542 HB ILE 542 9.866 0.858 5.770
250 HG12 ILE 542 2HG1 ILE 542 11.112 0.159 8.334
251 HG13 ILE 542 1HG1 ILE 542 9.475 -0.467 8.148
252 HG21 ILE 542 1HG2 ILE 542 11.485 2.167 7.901
253 HG22 ILE 542 2HG2 ILE 542 10.606 3.174 6.751
254 HG23 ILE 542 3HG2 ILE 542 11.805 2.018 6.173
255 HD11 ILE 542 3HD1 ILE 542 11.149 -0.841 5.799
256 HD12 ILE 542 1HD1 ILE 542 10.101 -1.975 6.648
257 HD13 ILE 542 2HD1 ILE 542 11.734 -1.671 7.243
258 H TYR 543 H TYR 543 7.193 1.304 5.228
259 HA TYR 543 HA TYR 543 6.190 3.864 4.771
260 HB2 TYR 543 2HB TYR 543 7.737 4.201 2.590
261 HB3 TYR 543 1HB TYR 543 8.088 4.935 4.149
262 HD1 TYR 543 1HD TYR 543 8.566 1.366 3.235
263 HD2 TYR 543 2HD TYR 543 10.430 5.103 4.046
264 HE1 TYR 543 1HE TYR 543 10.761 0.259 3.263
265 HE2 TYR 543 2HE TYR 543 12.629 4.007 4.076
266 HH TYR 543 HH TYR 543 13.401 1.394 2.792
267 H ILE 544 H ILE 544 7.588 2.474 1.909
268 HA ILE 544 HA ILE 544 5.149 2.126 0.635
269 HB ILE 544 HB ILE 544 7.586 0.506 -0.061
270 HG12 ILE 544 2HG1 ILE 544 7.628 2.869 -1.568
271 HG13 ILE 544 1HG1 ILE 544 7.322 3.391 0.085
272 HG21 ILE 544 1HG2 ILE 544 5.738 1.845 -1.981
273 HG22 ILE 544 2HG2 ILE 544 5.255 0.341 -1.203
274 HG23 ILE 544 3HG2 ILE 544 6.714 0.391 -2.190
275 HD11 ILE 544 3HD1 ILE 544 9.325 2.416 0.860
276 HD12 ILE 544 1HD1 ILE 544 9.730 3.290 -0.618
277 HD13 ILE 544 2HD1 ILE 544 9.562 1.533 -0.648
278 H GLU 545 H GLU 545 7.295 -0.582 1.499
279 HA GLU 545 HA GLU 545 6.851 -2.584 2.491
280 HB2 GLU 545 2HB GLU 545 3.942 -1.889 2.709
281 HB3 GLU 545 1HB GLU 545 4.889 -2.987 3.706
282 HG2 GLU 545 2HG GLU 545 5.829 -1.280 4.936
283 HG3 GLU 545 1HG GLU 545 5.581 -0.085 3.673
284 H GLY 546 H GLY 546 6.761 -2.174 -0.350
285 HA2 GLY 546 2HA GLY 546 6.367 -3.511 -2.190
286 HA3 GLY 546 1HA GLY 546 5.652 -4.693 -1.105
287 H LEU 547 H LEU 547 4.640 -1.374 -1.508
288 HA LEU 547 HA LEU 547 2.035 -2.349 -2.432
289 HB2 LEU 547 2HB LEU 547 1.043 -0.557 -1.399
290 HB3 LEU 547 1HB LEU 547 2.410 -0.831 -0.331
291 HG LEU 547 HG LEU 547 3.564 0.913 -1.945
292 HD11 LEU 547 1HD1 LEU 547 1.679 2.692 -2.324
293 HD12 LEU 547 2HD1 LEU 547 0.649 1.261 -2.399
294 HD13 LEU 547 3HD1 LEU 547 1.999 1.436 -3.521
295 HD21 LEU 547 3HD2 LEU 547 1.756 1.393 0.391
296 HD22 LEU 547 1HD2 LEU 547 2.632 2.719 -0.374
297 HD23 LEU 547 2HD2 LEU 547 3.517 1.368 0.331
298 H MET 548 H MET 548 1.498 -2.049 -4.447
299 HA MET 548 HA MET 548 2.646 0.188 -5.954
300 HB2 MET 548 2HB MET 548 2.439 -2.634 -6.998
301 HB3 MET 548 1HB MET 548 3.035 -1.238 -7.887
302 HG2 MET 548 2HG MET 548 5.069 -1.526 -7.081
303 HG3 MET 548 1HG MET 548 4.470 -1.483 -5.430
304 HE1 MET 548 3HE MET 548 3.746 -5.038 -4.488
305 HE2 MET 548 1HE MET 548 2.531 -4.464 -5.630
306 HE3 MET 548 2HE MET 548 3.190 -3.364 -4.418
307 H HIS 549 H HIS 549 -0.095 -1.204 -4.881
308 HA HIS 549 HA HIS 549 -1.662 -0.742 -7.300
309 HB2 HIS 549 2HB HIS 549 -2.783 -1.604 -4.642
310 HB3 HIS 549 1HB HIS 549 -3.431 -1.889 -6.253
311 HD1 HIS 549 1HD HIS 549 -1.594 -3.520 -3.632
312 HD2 HIS 549 2HD HIS 549 -1.683 -3.768 -7.778
313 HE1 HIS 549 1HE HIS 549 -0.542 -5.733 -4.196
314 HE2 HIS 549 2HE HIS 549 -0.725 -5.915 -6.702
315 H ASN 550 H ASN 550 -0.596 0.934 -4.589
316 HA ASN 550 HA ASN 550 -1.012 3.026 -3.797
317 HB2 ASN 550 2HB ASN 550 -2.820 3.136 -6.217
318 HB3 ASN 550 1HB ASN 550 -2.612 4.492 -5.119
319 HD21 ASN 550 1HD2 ASN 550 -0.622 2.160 -6.916
320 HD22 ASN 550 2HD2 ASN 550 0.553 3.311 -7.438
321 H GLN 551 H GLN 551 -3.257 0.566 -3.820
322 HA GLN 551 HA GLN 551 -4.943 0.033 -2.430
323 HB2 GLN 551 2HB GLN 551 -4.525 2.666 -1.043
324 HB3 GLN 551 1HB GLN 551 -5.244 1.197 -0.403
325 HG2 GLN 551 2HG GLN 551 -3.008 0.097 -0.758
326 HG3 GLN 551 1HG GLN 551 -2.365 1.716 -1.029
327 HE21 GLN 551 1HE2 GLN 551 -3.086 -0.627 1.253
328 HE22 GLN 551 2HE2 GLN 551 -2.910 0.333 2.679
329 H ASP 552 H ASP 552 -6.914 -0.011 -3.015
330 HA ASP 552 HA ASP 552 -8.483 2.399 -3.403
331 HB2 ASP 552 2HB ASP 552 -9.307 1.509 -5.646
332 HB3 ASP 552 1HB ASP 552 -7.690 2.208 -5.625
333 H GLY 553 H GLY 553 -9.025 0.966 -1.333
334 HA2 GLY 553 2HA GLY 553 -10.743 -0.135 -0.277
335 HA3 GLY 553 1HA GLY 553 -11.608 -0.116 -1.806
336 H LEU 554 H LEU 554 -8.630 -1.659 -0.608
337 HA LEU 554 HA LEU 554 -9.586 -4.185 -1.775
338 HB2 LEU 554 2HB LEU 554 -6.755 -3.456 -1.043
339 HB3 LEU 554 1HB LEU 554 -7.284 -4.856 -1.958
340 HG LEU 554 HG LEU 554 -7.274 -1.977 -2.846
341 HD11 LEU 554 1HD1 LEU 554 -5.679 -4.396 -3.417
342 HD12 LEU 554 2HD1 LEU 554 -5.207 -2.697 -3.407
343 HD13 LEU 554 3HD1 LEU 554 -6.072 -3.364 -4.793
344 HD21 LEU 554 3HD2 LEU 554 -8.137 -3.082 -5.032
345 HD22 LEU 554 1HD2 LEU 554 -9.284 -2.670 -3.757
346 HD23 LEU 554 2HD2 LEU 554 -8.742 -4.337 -3.949
347 H ILE 555 H ILE 555 -8.468 -2.639 1.134
348 HA ILE 555 HA ILE 555 -8.674 -5.200 2.566
349 HB ILE 555 HB ILE 555 -7.589 -3.437 4.390
350 HG12 ILE 555 2HG1 ILE 555 -7.270 -1.828 2.462
351 HG13 ILE 555 1HG1 ILE 555 -5.813 -2.230 3.360
352 HG21 ILE 555 1HG2 ILE 555 -6.232 -5.392 2.547
353 HG22 ILE 555 2HG2 ILE 555 -6.905 -5.717 4.144
354 HG23 ILE 555 3HG2 ILE 555 -5.483 -4.687 3.979
355 HD11 ILE 555 3HD1 ILE 555 -4.841 -3.194 1.588
356 HD12 ILE 555 1HD1 ILE 555 -6.007 -2.243 0.669
357 HD13 ILE 555 2HD1 ILE 555 -6.341 -3.935 1.034
358 H CYS 556 H CYS 556 -10.144 -2.131 2.156
359 HA CYS 556 HA CYS 556 -11.483 -2.182 4.722
360 HB2 CYS 556 2HB CYS 556 -10.719 -0.101 3.281
361 HB3 CYS 556 1HB CYS 556 -12.288 -0.318 2.525
362 H GLY 557 H GLY 557 -11.875 -4.241 2.520
363 HA2 GLY 557 2HA GLY 557 -14.475 -4.953 3.045
364 HA3 GLY 557 1HA GLY 557 -14.523 -3.985 1.574
365 H LEU 558 H LEU 558 -14.648 -5.265 -0.105
366 HA LEU 558 HA LEU 558 -12.611 -7.269 -0.529
367 HB2 LEU 558 2HB LEU 558 -15.324 -8.307 -1.052
368 HB3 LEU 558 1HB LEU 558 -13.885 -9.144 -0.504
369 HG LEU 558 HG LEU 558 -15.408 -7.334 1.346
370 HD11 LEU 558 1HD1 LEU 558 -16.670 -9.252 2.129
371 HD12 LEU 558 2HD1 LEU 558 -15.947 -10.258 0.873
372 HD13 LEU 558 3HD1 LEU 558 -17.015 -8.926 0.430
373 HD21 LEU 558 3HD2 LEU 558 -13.034 -8.774 1.570
374 HD22 LEU 558 1HD2 LEU 558 -14.228 -9.728 2.449
375 HD23 LEU 558 2HD2 LEU 558 -13.957 -8.038 2.880
376 H ARG 559 H ARG 559 -15.502 -5.613 -1.667
377 HA ARG 559 HA ARG 559 -14.327 -5.537 -4.354
378 HB2 ARG 559 2HB ARG 559 -16.809 -5.633 -5.148
379 HB3 ARG 559 1HB ARG 559 -15.961 -7.125 -4.768
380 HG2 ARG 559 2HG ARG 559 -17.141 -7.449 -2.805
381 HG3 ARG 559 1HG ARG 559 -17.586 -5.747 -2.674
382 HD2 ARG 559 2HD ARG 559 -19.573 -6.701 -3.350
383 HD3 ARG 559 1HD ARG 559 -18.877 -6.194 -4.888
384 HE ARG 559 HE ARG 559 -17.997 -8.739 -4.615
385 HH11 ARG 559 1HH1 ARG 559 -21.158 -7.270 -4.449
386 HH12 ARG 559 2HH1 ARG 559 -21.981 -8.681 -5.024
387 HH21 ARG 559 1HH2 ARG 559 -19.078 -10.594 -5.371
388 HH22 ARG 559 2HH2 ARG 559 -20.801 -10.568 -5.548
389 H GLN 560 H GLN 560 -14.092 -3.550 -2.433
390 HA GLN 560 HA GLN 560 -15.956 -1.562 -2.252
391 HB2 GLN 560 2HB GLN 560 -12.967 -1.292 -2.601
392 HB3 GLN 560 1HB GLN 560 -14.016 0.049 -2.172
393 HG2 GLN 560 2HG GLN 560 -13.158 -2.288 -0.548
394 HG3 GLN 560 1HG GLN 560 -13.247 -0.581 -0.113
395 HE21 GLN 560 1HE2 GLN 560 -15.147 -3.480 -0.683
396 HE22 GLN 560 2HE2 GLN 560 -16.491 -3.022 0.299
Start of MODEL 5
1 H1 ALA 507 1HT ALA 507 -12.179 -8.745 -0.587
2 H2 ALA 507 2HT ALA 507 -12.318 -10.188 -1.504
3 H3 ALA 507 3HT ALA 507 -10.996 -9.975 -0.431
4 HA ALA 507 HA ALA 507 -13.771 -9.942 0.493
5 HB1 ALA 507 2HB ALA 507 -12.103 -12.246 -0.323
6 HB2 ALA 507 3HB ALA 507 -13.857 -12.058 -0.317
7 HB3 ALA 507 1HB ALA 507 -13.001 -12.399 1.187
8 H GLN 508 H GLN 508 -12.916 -8.309 1.923
9 HA GLN 508 HA GLN 508 -12.117 -9.323 4.413
10 HB2 GLN 508 2HB GLN 508 -9.859 -8.405 4.597
11 HB3 GLN 508 1HB GLN 508 -9.941 -9.619 3.329
12 HG2 GLN 508 2HG GLN 508 -10.183 -7.740 1.681
13 HG3 GLN 508 1HG GLN 508 -9.831 -6.632 3.007
14 HE21 GLN 508 1HE2 GLN 508 -7.806 -7.332 4.289
15 HE22 GLN 508 2HE2 GLN 508 -6.429 -7.737 3.327
16 HA PRO 509 HA PRO 509 -13.649 -5.134 4.992
17 HB2 PRO 509 2HB PRO 509 -15.047 -5.568 7.171
18 HB3 PRO 509 1HB PRO 509 -15.507 -6.406 5.679
19 HG2 PRO 509 2HG PRO 509 -13.998 -7.434 8.042
20 HG3 PRO 509 1HG PRO 509 -15.243 -8.244 7.075
21 HD2 PRO 509 2HD PRO 509 -12.450 -8.505 6.771
22 HD3 PRO 509 1HD PRO 509 -13.684 -9.048 5.617
23 H LYS 510 H LYS 510 -12.851 -3.428 6.053
24 HA LYS 510 HA LYS 510 -11.932 -3.301 8.665
25 HB2 LYS 510 2HB LYS 510 -9.915 -4.112 6.684
26 HB3 LYS 510 1HB LYS 510 -9.426 -2.827 7.781
27 HG2 LYS 510 2HG LYS 510 -9.294 -4.206 9.531
28 HG3 LYS 510 1HG LYS 510 -10.762 -5.070 9.072
29 HD2 LYS 510 2HD LYS 510 -8.827 -6.552 8.987
30 HD3 LYS 510 1HD LYS 510 -9.499 -6.307 7.374
31 HE2 LYS 510 2HE LYS 510 -7.273 -6.024 6.928
32 HE3 LYS 510 1HE LYS 510 -7.731 -4.360 7.296
33 HZ1 LYS 510 3HZ LYS 510 -5.975 -4.509 8.673
34 HZ2 LYS 510 1HZ LYS 510 -6.050 -6.196 8.795
35 HZ3 LYS 510 2HZ LYS 510 -7.089 -5.234 9.719
36 H CYS 511 H CYS 511 -11.492 -2.081 5.435
37 HA CYS 511 HA CYS 511 -11.723 -0.016 4.550
38 HB2 CYS 511 2HB CYS 511 -12.887 0.500 7.250
39 HB3 CYS 511 1HB CYS 511 -12.562 1.848 6.165
40 H ASN 512 H ASN 512 -9.294 -0.838 5.128
41 HA ASN 512 HA ASN 512 -8.006 1.686 5.864
42 HB2 ASN 512 2HB ASN 512 -7.719 0.066 7.704
43 HB3 ASN 512 1HB ASN 512 -6.966 -1.060 6.581
44 HD21 ASN 512 1HD2 ASN 512 -6.326 2.323 6.194
45 HD22 ASN 512 2HD2 ASN 512 -4.721 2.298 6.824
46 HA PRO 513 HA PRO 513 -6.079 -0.181 1.988
47 HB2 PRO 513 2HB PRO 513 -8.035 -0.036 0.037
48 HB3 PRO 513 1HB PRO 513 -7.648 -1.476 0.965
49 HG2 PRO 513 2HG PRO 513 -10.057 0.027 1.045
50 HG3 PRO 513 1HG PRO 513 -9.610 -1.349 2.063
51 HD2 PRO 513 2HD PRO 513 -9.448 1.557 2.643
52 HD3 PRO 513 1HD PRO 513 -9.715 0.191 3.734
53 H ASN 514 H ASN 514 -8.609 1.760 0.494
54 HA ASN 514 HA ASN 514 -6.634 3.584 -0.535
55 HB2 ASN 514 2HB ASN 514 -8.244 4.251 -2.067
56 HB3 ASN 514 1HB ASN 514 -8.708 2.583 -1.744
57 HD21 ASN 514 1HD2 ASN 514 -10.556 2.166 -0.526
58 HD22 ASN 514 2HD2 ASN 514 -11.766 3.369 -0.258
59 H LEU 515 H LEU 515 -8.001 3.466 2.379
60 HA LEU 515 HA LEU 515 -8.359 6.380 2.570
61 HB2 LEU 515 2HB LEU 515 -9.397 4.257 4.449
62 HB3 LEU 515 1HB LEU 515 -9.718 5.977 4.545
63 HG LEU 515 HG LEU 515 -11.675 5.125 3.630
64 HD11 LEU 515 1HD1 LEU 515 -11.022 6.974 2.295
65 HD12 LEU 515 2HD1 LEU 515 -11.648 5.740 1.200
66 HD13 LEU 515 3HD1 LEU 515 -9.907 5.984 1.353
67 HD21 LEU 515 3HD2 LEU 515 -10.760 2.845 3.265
68 HD22 LEU 515 1HD2 LEU 515 -10.076 3.407 1.740
69 HD23 LEU 515 2HD2 LEU 515 -11.824 3.396 1.970
70 H HIS 516 H HIS 516 -5.796 5.134 2.561
71 HA HIS 516 HA HIS 516 -4.589 6.387 4.739
72 HB2 HIS 516 2HB HIS 516 -5.771 4.171 5.688
73 HB3 HIS 516 1HB HIS 516 -4.230 3.481 5.189
74 HD1 HIS 516 1HD HIS 516 -2.985 3.193 7.319
75 HD2 HIS 516 2HD HIS 516 -4.789 6.926 7.057
76 HE1 HIS 516 1HE HIS 516 -2.193 4.466 9.338
77 HE2 HIS 516 2HE HIS 516 -3.223 6.754 9.107
78 H TYR 517 H TYR 517 -4.394 3.801 2.379
79 HA TYR 517 HA TYR 517 -1.787 3.174 2.206
80 HB2 TYR 517 2HB TYR 517 -2.079 2.679 -0.106
81 HB3 TYR 517 1HB TYR 517 -3.614 2.375 0.689
82 HD1 TYR 517 1HD TYR 517 -4.962 4.885 0.812
83 HD2 TYR 517 2HD TYR 517 -2.419 3.416 -2.263
84 HE1 TYR 517 1HE TYR 517 -6.090 6.346 -0.813
85 HE2 TYR 517 2HE TYR 517 -3.538 4.872 -3.895
86 HH TYR 517 HH TYR 517 -5.066 7.363 -3.394
87 H TRP 518 H TRP 518 -3.149 6.191 0.939
88 HA TRP 518 HA TRP 518 -0.939 7.187 -0.398
89 HB2 TRP 518 2HB TRP 518 -1.950 9.487 0.456
90 HB3 TRP 518 1HB TRP 518 -2.783 8.510 -0.749
91 HD1 TRP 518 HD TRP 518 -2.837 7.742 3.019
92 HE1 TRP 518 1HE TRP 518 -5.258 7.894 3.846
93 HE3 TRP 518 3HE TRP 518 -5.027 9.516 -1.243
94 HZ2 TRP 518 2HZ TRP 518 -7.777 8.680 2.831
95 HZ3 TRP 518 3HZ TRP 518 -7.449 9.946 -1.231
96 HH2 TRP 518 HH TRP 518 -8.795 9.536 0.765
97 H THR 519 H THR 519 -1.316 6.687 2.951
98 HA THR 519 HA THR 519 0.117 8.640 4.203
99 HB THR 519 HB THR 519 -0.935 6.911 5.437
100 HG1 THR 519 1HG THR 519 0.666 6.439 6.892
101 HG21 THR 519 3HG2 THR 519 -0.223 5.149 3.608
102 HG22 THR 519 1HG2 THR 519 -0.676 4.695 5.251
103 HG23 THR 519 2HG2 THR 519 1.028 4.818 4.809
104 H THR 520 H THR 520 1.515 5.629 2.921
105 HA THR 520 HA THR 520 4.058 7.048 2.575
106 HB THR 520 HB THR 520 4.124 5.541 4.556
107 HG1 THR 520 1HG THR 520 6.097 5.710 3.769
108 HG21 THR 520 3HG2 THR 520 3.128 3.567 4.459
109 HG22 THR 520 1HG2 THR 520 4.463 3.035 3.435
110 HG23 THR 520 2HG2 THR 520 2.979 3.648 2.702
111 H GLN 521 H GLN 521 1.582 5.237 1.173
112 HA GLN 521 HA GLN 521 3.216 3.966 -0.819
113 HB2 GLN 521 2HB GLN 521 1.341 2.863 -1.523
114 HB3 GLN 521 1HB GLN 521 0.855 3.244 0.120
115 HG2 GLN 521 2HG GLN 521 -0.998 3.954 -0.935
116 HG3 GLN 521 1HG GLN 521 -0.052 5.430 -1.085
117 HE21 GLN 521 1HE2 GLN 521 0.122 6.261 -3.032
118 HE22 GLN 521 2HE2 GLN 521 -0.133 5.428 -4.523
119 H ASP 522 H ASP 522 1.658 6.973 -0.425
120 HA ASP 522 HA ASP 522 2.089 7.648 -3.253
121 HB2 ASP 522 2HB ASP 522 -0.250 7.855 -2.041
122 HB3 ASP 522 1HB ASP 522 0.437 9.368 -1.465
123 H GLU 523 H GLU 523 3.607 7.846 -0.473
124 HA GLU 523 HA GLU 523 4.867 10.420 -1.108
125 HB2 GLU 523 2HB GLU 523 4.873 9.585 1.733
126 HB3 GLU 523 1HB GLU 523 4.735 11.192 1.035
127 HG2 GLU 523 2HG GLU 523 2.369 10.368 0.319
128 HG3 GLU 523 1HG GLU 523 2.607 9.185 1.606
129 H GLY 524 H GLY 524 5.033 7.165 -0.016
130 HA2 GLY 524 2HA GLY 524 7.979 7.264 -0.097
131 HA3 GLY 524 1HA GLY 524 7.065 6.161 0.923
132 H ALA 525 H ALA 525 5.085 5.749 -1.274
133 HA ALA 525 HA ALA 525 6.686 3.860 -2.848
134 HB1 ALA 525 1HB ALA 525 4.809 3.060 -1.274
135 HB2 ALA 525 2HB ALA 525 4.859 2.402 -2.911
136 HB3 ALA 525 3HB ALA 525 3.713 3.682 -2.506
137 H ALA 526 H ALA 526 6.095 6.741 -3.349
138 HA ALA 526 HA ALA 526 5.174 6.422 -6.110
139 HB1 ALA 526 1HB ALA 526 4.055 8.351 -4.109
140 HB2 ALA 526 2HB ALA 526 3.193 7.157 -5.080
141 HB3 ALA 526 3HB ALA 526 3.890 8.584 -5.849
142 H ILE 527 H ILE 527 7.486 7.557 -4.048
143 HA ILE 527 HA ILE 527 8.564 9.341 -6.100
144 HB ILE 527 HB ILE 527 9.421 10.479 -3.706
145 HG12 ILE 527 2HG1 ILE 527 7.370 9.099 -2.800
146 HG13 ILE 527 1HG1 ILE 527 7.641 10.749 -2.252
147 HG21 ILE 527 1HG2 ILE 527 7.221 11.404 -5.547
148 HG22 ILE 527 2HG2 ILE 527 8.951 11.642 -5.799
149 HG23 ILE 527 3HG2 ILE 527 8.144 12.418 -4.436
150 HD11 ILE 527 3HD1 ILE 527 5.268 9.938 -2.977
151 HD12 ILE 527 1HD1 ILE 527 5.872 10.281 -4.599
152 HD13 ILE 527 2HD1 ILE 527 5.827 11.561 -3.387
153 H GLY 528 H GLY 528 9.136 7.492 -3.135
154 HA2 GLY 528 2HA GLY 528 11.987 7.559 -3.386
155 HA3 GLY 528 1HA GLY 528 11.063 6.550 -2.286
156 H LEU 529 H LEU 529 10.842 4.425 -2.740
157 HA LEU 529 HA LEU 529 11.505 3.533 -5.452
158 HB2 LEU 529 2HB LEU 529 13.231 3.336 -3.284
159 HB3 LEU 529 1HB LEU 529 12.549 1.730 -3.439
160 HG LEU 529 HG LEU 529 13.194 1.882 -5.915
161 HD11 LEU 529 1HD1 LEU 529 14.357 3.623 -6.695
162 HD12 LEU 529 2HD1 LEU 529 15.358 3.725 -5.247
163 HD13 LEU 529 3HD1 LEU 529 13.761 4.476 -5.270
164 HD21 LEU 529 3HD2 LEU 529 15.468 1.147 -5.452
165 HD22 LEU 529 1HD2 LEU 529 14.347 0.472 -4.271
166 HD23 LEU 529 2HD2 LEU 529 15.376 1.835 -3.830
167 H ALA 530 H ALA 530 9.263 3.148 -5.714
168 HA ALA 530 HA ALA 530 8.303 0.713 -4.346
169 HB1 ALA 530 1HB ALA 530 6.602 1.969 -3.628
170 HB2 ALA 530 2HB ALA 530 6.033 1.940 -5.295
171 HB3 ALA 530 3HB ALA 530 7.008 3.292 -4.720
172 H TRP 531 H TRP 531 9.538 1.807 -7.088
173 HA TRP 531 HA TRP 531 7.815 0.293 -8.922
174 HB2 TRP 531 2HB TRP 531 9.754 1.479 -10.473
175 HB3 TRP 531 1HB TRP 531 8.186 2.198 -10.120
176 HD1 TRP 531 HD TRP 531 11.790 2.243 -8.737
177 HE1 TRP 531 1HE TRP 531 12.176 4.498 -7.581
178 HE3 TRP 531 3HE TRP 531 7.106 4.217 -9.244
179 HZ2 TRP 531 2HZ TRP 531 10.692 6.837 -6.977
180 HZ3 TRP 531 3HZ TRP 531 6.667 6.465 -8.350
181 HH2 TRP 531 HH TRP 531 8.419 7.748 -7.237
182 H ILE 532 H ILE 532 9.805 -0.702 -6.884
183 HA ILE 532 HA ILE 532 11.225 -2.519 -8.675
184 HB ILE 532 HB ILE 532 13.356 -2.226 -7.652
185 HG12 ILE 532 2HG1 ILE 532 12.808 -1.893 -5.340
186 HG13 ILE 532 1HG1 ILE 532 13.710 -0.481 -5.872
187 HG21 ILE 532 1HG2 ILE 532 12.550 0.635 -7.870
188 HG22 ILE 532 2HG2 ILE 532 12.356 -0.412 -9.280
189 HG23 ILE 532 3HG2 ILE 532 13.947 -0.204 -8.550
190 HD11 ILE 532 3HD1 ILE 532 11.362 0.537 -6.293
191 HD12 ILE 532 1HD1 ILE 532 12.010 0.462 -4.660
192 HD13 ILE 532 2HD1 ILE 532 10.822 -0.723 -5.184
193 HA PRO 533 HA PRO 533 9.549 -4.995 -5.277
194 HB2 PRO 533 2HB PRO 533 9.040 -7.205 -6.674
195 HB3 PRO 533 1HB PRO 533 8.048 -5.756 -6.872
196 HG2 PRO 533 2HG PRO 533 10.226 -6.814 -8.623
197 HG3 PRO 533 1HG PRO 533 8.683 -6.072 -9.078
198 HD2 PRO 533 2HD PRO 533 11.136 -4.764 -9.008
199 HD3 PRO 533 1HD PRO 533 9.550 -3.969 -8.983
200 H TYR 534 H TYR 534 11.404 -5.307 -4.005
201 HA TYR 534 HA TYR 534 12.629 -7.857 -4.265
202 HB2 TYR 534 2HB TYR 534 14.874 -7.295 -4.693
203 HB3 TYR 534 1HB TYR 534 13.920 -6.481 -5.921
204 HD1 TYR 534 1HD TYR 534 15.944 -6.008 -2.883
205 HD2 TYR 534 2HD TYR 534 13.894 -4.083 -6.076
206 HE1 TYR 534 1HE TYR 534 17.087 -3.900 -2.340
207 HE2 TYR 534 2HE TYR 534 15.028 -1.970 -5.540
208 HH TYR 534 HH TYR 534 16.510 -1.340 -2.724
209 H PHE 535 H PHE 535 13.131 -4.655 -2.749
210 HA PHE 535 HA PHE 535 13.840 -6.029 -0.268
211 HB2 PHE 535 2HB PHE 535 14.584 -3.912 0.574
212 HB3 PHE 535 1HB PHE 535 15.211 -4.083 -1.058
213 HD1 PHE 535 1HD PHE 535 13.901 -2.929 -2.935
214 HD2 PHE 535 2HD PHE 535 13.390 -2.022 1.187
215 HE1 PHE 535 1HE PHE 535 12.939 -0.753 -3.541
216 HE2 PHE 535 2HE PHE 535 12.416 0.158 0.588
217 HZ PHE 535 HZ PHE 535 12.189 0.793 -1.778
218 H GLY 536 H GLY 536 11.092 -5.832 -1.529
219 HA2 GLY 536 2HA GLY 536 9.352 -4.166 -0.211
220 HA3 GLY 536 1HA GLY 536 8.948 -5.808 -0.686
221 HA PRO 537 HA PRO 537 8.836 -7.136 3.521
222 HB2 PRO 537 2HB PRO 537 10.456 -9.289 3.742
223 HB3 PRO 537 1HB PRO 537 8.941 -9.327 2.833
224 HG2 PRO 537 2HG PRO 537 11.745 -9.001 1.831
225 HG3 PRO 537 1HG PRO 537 10.435 -10.002 1.180
226 HD2 PRO 537 2HD PRO 537 11.097 -7.590 0.131
227 HD3 PRO 537 1HD PRO 537 9.440 -8.226 0.106
228 H ALA 538 H ALA 538 11.721 -5.850 2.391
229 HA ALA 538 HA ALA 538 13.071 -6.044 4.983
230 HB1 ALA 538 1HB ALA 538 14.395 -4.628 2.761
231 HB2 ALA 538 2HB ALA 538 14.101 -6.350 2.517
232 HB3 ALA 538 3HB ALA 538 15.040 -5.805 3.907
233 H ALA 539 H ALA 539 11.410 -3.818 2.906
234 HA ALA 539 HA ALA 539 12.325 -1.474 4.349
235 HB1 ALA 539 1HB ALA 539 10.758 -2.001 1.909
236 HB2 ALA 539 2HB ALA 539 12.012 -0.799 2.218
237 HB3 ALA 539 3HB ALA 539 10.367 -0.527 2.792
238 H GLU 540 H GLU 540 9.845 -3.767 4.570
239 HA GLU 540 HA GLU 540 7.572 -2.655 5.376
240 HB2 GLU 540 2HB GLU 540 7.133 -4.582 6.646
241 HB3 GLU 540 1HB GLU 540 8.252 -5.082 5.383
242 HG2 GLU 540 2HG GLU 540 10.086 -4.717 7.134
243 HG3 GLU 540 1HG GLU 540 8.771 -4.710 8.309
244 H GLY 541 H GLY 541 7.266 -0.843 6.478
245 HA2 GLY 541 2HA GLY 541 6.871 0.141 8.597
246 HA3 GLY 541 1HA GLY 541 8.241 -0.744 9.237
247 H ILE 542 H ILE 542 9.492 0.371 6.489
248 HA ILE 542 HA ILE 542 10.485 2.786 7.828
249 HB ILE 542 HB ILE 542 11.682 1.482 5.392
250 HG12 ILE 542 2HG1 ILE 542 13.103 1.062 7.901
251 HG13 ILE 542 1HG1 ILE 542 11.506 0.321 7.913
252 HG21 ILE 542 1HG2 ILE 542 12.964 3.265 7.451
253 HG22 ILE 542 2HG2 ILE 542 12.253 3.860 5.951
254 HG23 ILE 542 3HG2 ILE 542 13.625 2.755 5.897
255 HD11 ILE 542 3HD1 ILE 542 13.063 -0.134 5.478
256 HD12 ILE 542 1HD1 ILE 542 12.083 -1.246 6.434
257 HD13 ILE 542 2HD1 ILE 542 13.725 -0.855 6.946
258 H TYR 543 H TYR 543 8.937 1.673 4.880
259 HA TYR 543 HA TYR 543 7.661 4.068 4.340
260 HB2 TYR 543 2HB TYR 543 9.171 4.625 2.198
261 HB3 TYR 543 1HB TYR 543 9.451 5.359 3.772
262 HD1 TYR 543 1HD TYR 543 10.307 1.868 2.874
263 HD2 TYR 543 2HD TYR 543 11.767 5.805 3.558
264 HE1 TYR 543 1HE TYR 543 12.610 1.009 2.866
265 HE2 TYR 543 2HE TYR 543 14.076 4.956 3.550
266 HH TYR 543 HH TYR 543 14.818 1.648 3.728
267 H ILE 544 H ILE 544 9.273 2.892 1.508
268 HA ILE 544 HA ILE 544 7.014 2.246 0.108
269 HB ILE 544 HB ILE 544 9.649 0.821 -0.239
270 HG12 ILE 544 2HG1 ILE 544 9.290 3.083 -1.985
271 HG13 ILE 544 1HG1 ILE 544 9.154 3.602 -0.308
272 HG21 ILE 544 1HG2 ILE 544 8.833 0.022 -2.151
273 HG22 ILE 544 2HG2 ILE 544 8.179 1.592 -2.613
274 HG23 ILE 544 3HG2 ILE 544 7.245 0.522 -1.568
275 HD11 ILE 544 3HD1 ILE 544 11.485 2.658 -1.811
276 HD12 ILE 544 1HD1 ILE 544 11.346 2.037 -0.166
277 HD13 ILE 544 2HD1 ILE 544 11.379 3.777 -0.452
278 H GLU 545 H GLU 545 9.216 -0.278 1.289
279 HA GLU 545 HA GLU 545 8.864 -2.365 2.106
280 HB2 GLU 545 2HB GLU 545 5.998 -1.749 2.685
281 HB3 GLU 545 1HB GLU 545 7.144 -2.704 3.610
282 HG2 GLU 545 2HG GLU 545 7.946 -0.910 4.730
283 HG3 GLU 545 1HG GLU 545 7.744 0.178 3.365
284 H GLY 546 H GLY 546 7.302 -4.327 1.895
285 HA2 GLY 546 2HA GLY 546 6.822 -4.663 -0.929
286 HA3 GLY 546 1HA GLY 546 6.632 -5.890 0.317
287 H LEU 547 H LEU 547 5.144 -2.862 -0.794
288 HA LEU 547 HA LEU 547 2.501 -4.084 -0.338
289 HB2 LEU 547 2HB LEU 547 1.702 -1.790 0.265
290 HB3 LEU 547 1HB LEU 547 2.798 -2.518 1.430
291 HG LEU 547 HG LEU 547 4.638 -1.196 0.176
292 HD11 LEU 547 1HD1 LEU 547 3.551 1.025 -0.626
293 HD12 LEU 547 2HD1 LEU 547 2.125 0.016 -0.882
294 HD13 LEU 547 3HD1 LEU 547 3.631 -0.360 -1.718
295 HD21 LEU 547 3HD2 LEU 547 4.449 -0.404 2.275
296 HD22 LEU 547 1HD2 LEU 547 2.687 -0.334 2.204
297 HD23 LEU 547 2HD2 LEU 547 3.651 0.950 1.473
298 H MET 548 H MET 548 3.787 -4.189 -2.798
299 HA MET 548 HA MET 548 3.096 -2.006 -4.477
300 HB2 MET 548 2HB MET 548 3.480 -4.852 -5.362
301 HB3 MET 548 1HB MET 548 3.712 -3.387 -6.303
302 HG2 MET 548 2HG MET 548 5.836 -3.292 -5.704
303 HG3 MET 548 1HG MET 548 5.382 -3.266 -4.001
304 HE1 MET 548 3HE MET 548 4.725 -6.239 -2.855
305 HE2 MET 548 1HE MET 548 5.633 -4.776 -2.470
306 HE3 MET 548 2HE MET 548 6.463 -6.331 -2.565
307 H HIS 549 H HIS 549 0.890 -2.809 -2.868
308 HA HIS 549 HA HIS 549 -0.989 -3.842 -4.881
309 HB2 HIS 549 2HB HIS 549 -1.692 -3.562 -1.979
310 HB3 HIS 549 1HB HIS 549 -2.324 -4.693 -3.171
311 HD1 HIS 549 1HD HIS 549 -0.420 -4.779 -0.258
312 HD2 HIS 549 2HD HIS 549 0.104 -6.455 -4.024
313 HE1 HIS 549 1HE HIS 549 1.188 -6.684 0.071
314 HE2 HIS 549 2HE HIS 549 1.433 -7.729 -2.208
315 H ASN 550 H ASN 550 0.042 -1.136 -3.128
316 HA ASN 550 HA ASN 550 -0.608 1.035 -3.072
317 HB2 ASN 550 2HB ASN 550 -2.006 0.004 -5.481
318 HB3 ASN 550 1HB ASN 550 -2.526 1.566 -4.855
319 HD21 ASN 550 1HD2 ASN 550 0.721 0.221 -4.725
320 HD22 ASN 550 2HD2 ASN 550 1.455 1.411 -5.737
321 H GLN 551 H GLN 551 -3.588 -0.840 -3.631
322 HA GLN 551 HA GLN 551 -5.328 -1.203 -2.158
323 HB2 GLN 551 2HB GLN 551 -4.394 1.196 -0.584
324 HB3 GLN 551 1HB GLN 551 -5.631 0.040 -0.122
325 HG2 GLN 551 2HG GLN 551 -3.854 -1.729 -0.151
326 HG3 GLN 551 1HG GLN 551 -2.674 -0.432 -0.328
327 HE21 GLN 551 1HE2 GLN 551 -3.093 -2.378 1.836
328 HE22 GLN 551 2HE2 GLN 551 -3.304 -1.440 3.272
329 H ASP 552 H ASP 552 -7.272 -0.686 -2.808
330 HA ASP 552 HA ASP 552 -8.021 2.063 -3.339
331 HB2 ASP 552 2HB ASP 552 -6.916 0.771 -5.429
332 HB3 ASP 552 1HB ASP 552 -8.593 0.272 -5.624
333 H GLY 553 H GLY 553 -9.114 0.690 -1.371
334 HA2 GLY 553 2HA GLY 553 -11.231 0.269 -0.543
335 HA3 GLY 553 1HA GLY 553 -11.863 0.465 -2.170
336 H LEU 554 H LEU 554 -9.384 -1.814 -1.089
337 HA LEU 554 HA LEU 554 -11.049 -3.991 -2.117
338 HB2 LEU 554 2HB LEU 554 -8.137 -3.939 -1.329
339 HB3 LEU 554 1HB LEU 554 -8.977 -5.334 -1.977
340 HG LEU 554 HG LEU 554 -8.232 -2.788 -3.387
341 HD11 LEU 554 1HD1 LEU 554 -6.505 -4.164 -3.820
342 HD12 LEU 554 2HD1 LEU 554 -7.608 -4.838 -5.020
343 HD13 LEU 554 3HD1 LEU 554 -7.431 -5.619 -3.448
344 HD21 LEU 554 3HD2 LEU 554 -10.473 -3.078 -4.071
345 HD22 LEU 554 1HD2 LEU 554 -10.297 -4.830 -4.174
346 HD23 LEU 554 2HD2 LEU 554 -9.487 -3.792 -5.348
347 H ILE 555 H ILE 555 -9.866 -2.659 0.821
348 HA ILE 555 HA ILE 555 -10.657 -5.077 2.282
349 HB ILE 555 HB ILE 555 -9.006 -2.812 3.382
350 HG12 ILE 555 2HG1 ILE 555 -7.468 -5.185 2.894
351 HG13 ILE 555 1HG1 ILE 555 -8.251 -4.698 1.394
352 HG21 ILE 555 1HG2 ILE 555 -8.638 -4.122 5.220
353 HG22 ILE 555 2HG2 ILE 555 -8.904 -5.626 4.341
354 HG23 ILE 555 3HG2 ILE 555 -10.277 -4.619 4.801
355 HD11 ILE 555 3HD1 ILE 555 -6.711 -3.148 1.097
356 HD12 ILE 555 1HD1 ILE 555 -5.937 -3.629 2.610
357 HD13 ILE 555 2HD1 ILE 555 -7.182 -2.379 2.616
358 H CYS 556 H CYS 556 -11.411 -1.726 1.816
359 HA CYS 556 HA CYS 556 -12.834 -1.290 4.219
360 HB2 CYS 556 2HB CYS 556 -11.996 0.495 2.641
361 HB3 CYS 556 1HB CYS 556 -13.336 0.083 1.581
362 H GLY 557 H GLY 557 -13.567 -3.200 1.550
363 HA2 GLY 557 2HA GLY 557 -16.137 -3.829 2.651
364 HA3 GLY 557 1HA GLY 557 -16.231 -2.996 1.102
365 H LEU 558 H LEU 558 -16.415 -4.290 -0.549
366 HA LEU 558 HA LEU 558 -14.762 -6.665 -0.730
367 HB2 LEU 558 2HB LEU 558 -17.507 -7.288 -1.482
368 HB3 LEU 558 1HB LEU 558 -16.359 -8.217 -0.539
369 HG LEU 558 HG LEU 558 -17.837 -5.894 0.669
370 HD11 LEU 558 1HD1 LEU 558 -19.621 -7.204 -0.106
371 HD12 LEU 558 2HD1 LEU 558 -19.397 -7.676 1.579
372 HD13 LEU 558 3HD1 LEU 558 -18.794 -8.712 0.285
373 HD21 LEU 558 3HD2 LEU 558 -15.880 -7.755 1.576
374 HD22 LEU 558 1HD2 LEU 558 -17.383 -8.054 2.449
375 HD23 LEU 558 2HD2 LEU 558 -16.655 -6.447 2.470
376 H ARG 559 H ARG 559 -17.073 -4.455 -2.192
377 HA ARG 559 HA ARG 559 -15.742 -4.858 -4.766
378 HB2 ARG 559 2HB ARG 559 -18.101 -4.570 -5.799
379 HB3 ARG 559 1HB ARG 559 -17.631 -6.148 -5.183
380 HG2 ARG 559 2HG ARG 559 -19.127 -6.090 -3.487
381 HG3 ARG 559 1HG ARG 559 -19.000 -4.341 -3.288
382 HD2 ARG 559 2HD ARG 559 -20.120 -4.526 -5.760
383 HD3 ARG 559 1HD ARG 559 -20.821 -5.929 -4.954
384 HE ARG 559 HE ARG 559 -22.138 -4.501 -3.772
385 HH11 ARG 559 1HH1 ARG 559 -19.341 -2.728 -4.874
386 HH12 ARG 559 2HH1 ARG 559 -19.901 -1.213 -4.252
387 HH21 ARG 559 1HH2 ARG 559 -22.876 -2.508 -2.951
388 HH22 ARG 559 2HH2 ARG 559 -21.908 -1.088 -3.158
389 H GLN 560 H GLN 560 -15.256 -2.788 -2.986
390 HA GLN 560 HA GLN 560 -16.740 -0.480 -3.156
391 HB2 GLN 560 2HB GLN 560 -13.729 -0.760 -3.150
392 HB3 GLN 560 1HB GLN 560 -14.573 0.760 -2.904
393 HG2 GLN 560 2HG GLN 560 -14.290 -1.570 -1.087
394 HG3 GLN 560 1HG GLN 560 -14.162 0.155 -0.745
395 HE21 GLN 560 1HE2 GLN 560 -16.378 -2.496 -1.313
396 HE22 GLN 560 2HE2 GLN 560 -17.750 -1.769 -0.558
Start of MODEL 6
1 H1 ALA 507 1HT ALA 507 -9.514 -10.017 -0.653
2 H2 ALA 507 2HT ALA 507 -10.005 -8.380 -0.813
3 H3 ALA 507 3HT ALA 507 -10.639 -9.575 -1.869
4 HA ALA 507 HA ALA 507 -12.092 -8.781 -0.020
5 HB1 ALA 507 2HB ALA 507 -12.927 -10.623 -1.089
6 HB2 ALA 507 3HB ALA 507 -12.646 -11.297 0.516
7 HB3 ALA 507 1HB ALA 507 -11.486 -11.593 -0.779
8 H GLN 508 H GLN 508 -11.588 -7.910 1.903
9 HA GLN 508 HA GLN 508 -10.970 -9.620 4.096
10 HB2 GLN 508 2HB GLN 508 -8.893 -7.970 4.602
11 HB3 GLN 508 1HB GLN 508 -8.723 -9.541 3.834
12 HG2 GLN 508 2HG GLN 508 -8.802 -8.443 1.631
13 HG3 GLN 508 1HG GLN 508 -8.893 -6.878 2.437
14 HE21 GLN 508 1HE2 GLN 508 -6.894 -7.526 0.629
15 HE22 GLN 508 2HE2 GLN 508 -5.385 -7.602 1.465
16 HA PRO 509 HA PRO 509 -13.119 -6.122 5.868
17 HB2 PRO 509 2HB PRO 509 -13.777 -7.185 8.178
18 HB3 PRO 509 1HB PRO 509 -14.380 -7.937 6.690
19 HG2 PRO 509 2HG PRO 509 -11.980 -8.688 8.333
20 HG3 PRO 509 1HG PRO 509 -13.304 -9.740 7.783
21 HD2 PRO 509 2HD PRO 509 -10.926 -9.517 6.463
22 HD3 PRO 509 1HD PRO 509 -12.457 -9.872 5.637
23 H LYS 510 H LYS 510 -11.254 -4.771 5.960
24 HA LYS 510 HA LYS 510 -10.119 -4.545 8.661
25 HB2 LYS 510 2HB LYS 510 -8.729 -4.730 6.066
26 HB3 LYS 510 1HB LYS 510 -8.109 -3.523 7.184
27 HG2 LYS 510 2HG LYS 510 -7.203 -5.062 8.532
28 HG3 LYS 510 1HG LYS 510 -8.595 -6.138 8.400
29 HD2 LYS 510 2HD LYS 510 -7.010 -7.398 7.330
30 HD3 LYS 510 1HD LYS 510 -7.661 -6.495 5.961
31 HE2 LYS 510 2HE LYS 510 -5.544 -5.917 5.544
32 HE3 LYS 510 1HE LYS 510 -5.706 -4.821 6.914
33 HZ1 LYS 510 3HZ LYS 510 -4.580 -6.250 8.302
34 HZ2 LYS 510 1HZ LYS 510 -3.754 -6.485 6.844
35 HZ3 LYS 510 2HZ LYS 510 -4.900 -7.617 7.360
36 H CYS 511 H CYS 511 -10.482 -2.867 5.610
37 HA CYS 511 HA CYS 511 -11.266 -0.819 5.069
38 HB2 CYS 511 2HB CYS 511 -12.251 -1.105 7.776
39 HB3 CYS 511 1HB CYS 511 -11.875 0.570 7.389
40 H ASN 512 H ASN 512 -8.632 -1.235 5.212
41 HA ASN 512 HA ASN 512 -7.692 1.425 5.996
42 HB2 ASN 512 2HB ASN 512 -6.941 -0.620 7.494
43 HB3 ASN 512 1HB ASN 512 -5.788 -0.866 6.186
44 HD21 ASN 512 1HD2 ASN 512 -5.553 1.978 5.585
45 HD22 ASN 512 2HD2 ASN 512 -4.611 2.661 6.855
46 HA PRO 513 HA PRO 513 -6.214 -0.091 1.727
47 HB2 PRO 513 2HB PRO 513 -8.200 0.421 0.028
48 HB3 PRO 513 1HB PRO 513 -8.177 -1.067 0.973
49 HG2 PRO 513 2HG PRO 513 -9.705 1.461 1.485
50 HG3 PRO 513 1HG PRO 513 -10.269 -0.217 1.565
51 HD2 PRO 513 2HD PRO 513 -9.508 1.230 3.759
52 HD3 PRO 513 1HD PRO 513 -9.403 -0.538 3.652
53 H ASN 514 H ASN 514 -8.410 2.185 0.381
54 HA ASN 514 HA ASN 514 -6.273 4.037 -0.060
55 HB2 ASN 514 2HB ASN 514 -7.757 5.152 -1.559
56 HB3 ASN 514 1HB ASN 514 -8.013 3.422 -1.768
57 HD21 ASN 514 1HD2 ASN 514 -10.061 2.960 -2.060
58 HD22 ASN 514 2HD2 ASN 514 -11.406 3.726 -1.294
59 H LEU 515 H LEU 515 -8.024 3.599 2.604
60 HA LEU 515 HA LEU 515 -8.518 6.436 3.116
61 HB2 LEU 515 2HB LEU 515 -9.286 4.010 4.742
62 HB3 LEU 515 1HB LEU 515 -9.743 5.666 5.096
63 HG LEU 515 HG LEU 515 -11.643 4.710 4.090
64 HD11 LEU 515 1HD1 LEU 515 -11.823 5.874 1.905
65 HD12 LEU 515 2HD1 LEU 515 -10.096 6.224 1.990
66 HD13 LEU 515 3HD1 LEU 515 -11.193 6.894 3.198
67 HD21 LEU 515 3HD2 LEU 515 -9.868 2.940 2.926
68 HD22 LEU 515 1HD2 LEU 515 -10.525 3.831 1.553
69 HD23 LEU 515 2HD2 LEU 515 -11.612 2.990 2.658
70 H HIS 516 H HIS 516 -5.907 5.748 2.876
71 HA HIS 516 HA HIS 516 -4.677 6.853 5.066
72 HB2 HIS 516 2HB HIS 516 -5.456 4.264 5.736
73 HB3 HIS 516 1HB HIS 516 -3.752 4.102 5.327
74 HD1 HIS 516 1HD HIS 516 -5.183 3.976 8.243
75 HD2 HIS 516 2HD HIS 516 -2.847 7.037 6.681
76 HE1 HIS 516 1HE HIS 516 -4.282 5.218 10.235
77 HE2 HIS 516 2HE HIS 516 -2.953 7.124 9.263
78 H TYR 517 H TYR 517 -4.482 4.507 2.489
79 HA TYR 517 HA TYR 517 -1.899 4.143 1.903
80 HB2 TYR 517 2HB TYR 517 -2.487 3.844 -0.358
81 HB3 TYR 517 1HB TYR 517 -3.967 3.516 0.529
82 HD1 TYR 517 1HD TYR 517 -5.352 5.870 0.955
83 HD2 TYR 517 2HD TYR 517 -2.805 4.980 -2.330
84 HE1 TYR 517 1HE TYR 517 -6.556 7.522 -0.414
85 HE2 TYR 517 2HE TYR 517 -3.993 6.634 -3.709
86 HH TYR 517 HH TYR 517 -6.956 8.050 -2.731
87 H TRP 518 H TRP 518 -3.628 7.160 1.317
88 HA TRP 518 HA TRP 518 -1.523 8.540 0.020
89 HB2 TRP 518 2HB TRP 518 -2.889 10.585 0.805
90 HB3 TRP 518 1HB TRP 518 -3.693 9.442 -0.268
91 HD1 TRP 518 HD TRP 518 -3.310 8.511 3.391
92 HE1 TRP 518 1HE TRP 518 -5.618 8.511 4.510
93 HE3 TRP 518 3HE TRP 518 -6.030 10.596 -0.394
94 HZ2 TRP 518 2HZ TRP 518 -8.258 9.311 3.877
95 HZ3 TRP 518 3HZ TRP 518 -8.443 10.949 -0.058
96 HH2 TRP 518 HH TRP 518 -9.533 10.317 2.033
97 H THR 519 H THR 519 0.202 7.797 1.510
98 HA THR 519 HA THR 519 0.779 9.854 3.456
99 HB THR 519 HB THR 519 -0.432 8.452 4.909
100 HG1 THR 519 1HG THR 519 2.241 7.577 5.205
101 HG21 THR 519 3HG2 THR 519 -0.072 6.423 3.194
102 HG22 THR 519 1HG2 THR 519 -0.650 6.233 4.850
103 HG23 THR 519 2HG2 THR 519 1.055 5.969 4.473
104 H THR 520 H THR 520 1.740 6.587 2.490
105 HA THR 520 HA THR 520 4.456 7.598 2.025
106 HB THR 520 HB THR 520 4.198 6.102 4.076
107 HG1 THR 520 1HG THR 520 6.198 6.425 3.043
108 HG21 THR 520 3HG2 THR 520 4.160 3.828 2.134
109 HG22 THR 520 1HG2 THR 520 2.678 4.445 2.861
110 HG23 THR 520 2HG2 THR 520 3.962 3.798 3.885
111 H GLN 521 H GLN 521 1.700 6.308 0.698
112 HA GLN 521 HA GLN 521 3.086 4.826 -1.364
113 HB2 GLN 521 2HB GLN 521 1.078 3.832 -1.916
114 HB3 GLN 521 1HB GLN 521 0.823 4.149 -0.209
115 HG2 GLN 521 2HG GLN 521 -1.141 4.895 -1.083
116 HG3 GLN 521 1HG GLN 521 -0.203 6.386 -1.083
117 HE21 GLN 521 1HE2 GLN 521 -0.597 7.500 -2.820
118 HE22 GLN 521 2HE2 GLN 521 -0.774 6.889 -4.424
119 H ASP 522 H ASP 522 1.386 7.781 -0.839
120 HA ASP 522 HA ASP 522 1.614 8.555 -3.648
121 HB2 ASP 522 2HB ASP 522 -0.312 9.075 -1.675
122 HB3 ASP 522 1HB ASP 522 0.507 10.610 -1.944
123 H GLU 523 H GLU 523 3.516 8.549 -1.085
124 HA GLU 523 HA GLU 523 4.985 10.945 -1.925
125 HB2 GLU 523 2HB GLU 523 5.123 10.159 0.942
126 HB3 GLU 523 1HB GLU 523 5.220 11.757 0.210
127 HG2 GLU 523 2HG GLU 523 2.716 11.398 -0.320
128 HG3 GLU 523 1HG GLU 523 2.803 10.149 0.922
129 H GLY 524 H GLY 524 4.878 7.678 -0.933
130 HA2 GLY 524 2HA GLY 524 7.801 7.464 -1.208
131 HA3 GLY 524 1HA GLY 524 6.849 6.439 -0.139
132 H ALA 525 H ALA 525 4.640 6.170 -2.043
133 HA ALA 525 HA ALA 525 5.904 4.184 -3.789
134 HB1 ALA 525 1HB ALA 525 2.958 4.473 -3.221
135 HB2 ALA 525 2HB ALA 525 4.047 3.500 -2.233
136 HB3 ALA 525 3HB ALA 525 3.793 3.090 -3.929
137 H ALA 526 H ALA 526 5.677 7.145 -4.137
138 HA ALA 526 HA ALA 526 4.730 7.091 -6.907
139 HB1 ALA 526 1HB ALA 526 2.898 8.080 -5.778
140 HB2 ALA 526 2HB ALA 526 3.789 9.402 -6.534
141 HB3 ALA 526 3HB ALA 526 3.962 9.098 -4.804
142 H ILE 527 H ILE 527 7.197 7.725 -4.788
143 HA ILE 527 HA ILE 527 8.681 9.210 -6.776
144 HB ILE 527 HB ILE 527 9.423 10.608 -4.554
145 HG12 ILE 527 2HG1 ILE 527 7.205 9.455 -3.590
146 HG13 ILE 527 1HG1 ILE 527 7.701 11.079 -3.126
147 HG21 ILE 527 1HG2 ILE 527 7.608 11.185 -6.841
148 HG22 ILE 527 2HG2 ILE 527 9.213 11.823 -6.484
149 HG23 ILE 527 3HG2 ILE 527 7.814 12.401 -5.580
150 HD11 ILE 527 3HD1 ILE 527 5.239 10.539 -3.854
151 HD12 ILE 527 1HD1 ILE 527 5.906 10.771 -5.471
152 HD13 ILE 527 2HD1 ILE 527 6.005 12.069 -4.281
153 H GLY 528 H GLY 528 8.684 7.895 -3.467
154 HA2 GLY 528 2HA GLY 528 11.518 7.543 -3.377
155 HA3 GLY 528 1HA GLY 528 10.355 6.887 -2.238
156 H LEU 529 H LEU 529 10.454 4.748 -2.107
157 HA LEU 529 HA LEU 529 10.946 3.248 -4.598
158 HB2 LEU 529 2HB LEU 529 12.622 3.377 -2.370
159 HB3 LEU 529 1HB LEU 529 11.827 1.819 -2.246
160 HG LEU 529 HG LEU 529 12.547 1.421 -4.658
161 HD11 LEU 529 1HD1 LEU 529 13.902 2.848 -5.748
162 HD12 LEU 529 2HD1 LEU 529 14.756 3.327 -4.282
163 HD13 LEU 529 3HD1 LEU 529 13.189 4.039 -4.660
164 HD21 LEU 529 3HD2 LEU 529 14.231 1.450 -2.230
165 HD22 LEU 529 1HD2 LEU 529 15.065 1.216 -3.767
166 HD23 LEU 529 2HD2 LEU 529 13.779 0.110 -3.284
167 H ALA 530 H ALA 530 10.219 0.992 -4.520
168 HA ALA 530 HA ALA 530 8.644 -0.361 -2.819
169 HB1 ALA 530 1HB ALA 530 7.080 1.896 -4.009
170 HB2 ALA 530 2HB ALA 530 7.042 1.247 -2.368
171 HB3 ALA 530 3HB ALA 530 6.284 0.355 -3.687
172 H TRP 531 H TRP 531 8.989 0.884 -6.005
173 HA TRP 531 HA TRP 531 7.637 -1.177 -7.428
174 HB2 TRP 531 2HB TRP 531 9.472 -0.078 -9.199
175 HB3 TRP 531 1HB TRP 531 7.828 0.491 -8.936
176 HD1 TRP 531 HD TRP 531 11.379 1.180 -7.549
177 HE1 TRP 531 1HE TRP 531 11.488 3.650 -6.849
178 HE3 TRP 531 3HE TRP 531 6.537 2.508 -8.499
179 HZ2 TRP 531 2HZ TRP 531 9.755 5.885 -6.744
180 HZ3 TRP 531 3HZ TRP 531 5.843 4.831 -8.075
181 HH2 TRP 531 HH TRP 531 7.419 6.483 -7.211
182 H ILE 532 H ILE 532 10.553 -1.108 -5.757
183 HA ILE 532 HA ILE 532 11.913 -3.018 -7.468
184 HB ILE 532 HB ILE 532 13.822 -2.742 -6.152
185 HG12 ILE 532 2HG1 ILE 532 12.821 -3.175 -3.947
186 HG13 ILE 532 1HG1 ILE 532 13.857 -1.756 -3.905
187 HG21 ILE 532 1HG2 ILE 532 13.979 -0.252 -5.741
188 HG22 ILE 532 2HG2 ILE 532 12.287 -0.158 -6.231
189 HG23 ILE 532 3HG2 ILE 532 13.503 -0.749 -7.364
190 HD11 ILE 532 3HD1 ILE 532 10.855 -1.823 -3.940
191 HD12 ILE 532 1HD1 ILE 532 11.807 -0.353 -4.140
192 HD13 ILE 532 2HD1 ILE 532 11.911 -1.273 -2.640
193 HA PRO 533 HA PRO 533 10.237 -6.393 -5.041
194 HB2 PRO 533 2HB PRO 533 11.058 -8.401 -6.589
195 HB3 PRO 533 1HB PRO 533 9.812 -7.278 -7.149
196 HG2 PRO 533 2HG PRO 533 12.711 -7.398 -7.852
197 HG3 PRO 533 1HG PRO 533 11.321 -7.030 -8.886
198 HD2 PRO 533 2HD PRO 533 13.019 -5.150 -7.717
199 HD3 PRO 533 1HD PRO 533 11.405 -4.817 -8.374
200 H TYR 534 H TYR 534 13.080 -5.201 -4.663
201 HA TYR 534 HA TYR 534 14.821 -7.366 -4.129
202 HB2 TYR 534 2HB TYR 534 15.670 -5.129 -4.562
203 HB3 TYR 534 1HB TYR 534 14.848 -4.511 -3.134
204 HD1 TYR 534 2HD TYR 534 16.519 -7.767 -3.028
205 HD2 TYR 534 1HD TYR 534 16.922 -3.604 -2.244
206 HE1 TYR 534 2HE TYR 534 18.525 -8.221 -1.680
207 HE2 TYR 534 1HE TYR 534 18.929 -4.046 -0.897
208 HH TYR 534 HH TYR 534 20.674 -6.738 -1.020
209 H PHE 535 H PHE 535 12.836 -5.322 -1.981
210 HA PHE 535 HA PHE 535 13.133 -7.408 0.081
211 HB2 PHE 535 2HB PHE 535 12.495 -5.294 1.594
212 HB3 PHE 535 1HB PHE 535 14.158 -5.699 1.184
213 HD1 PHE 535 1HD PHE 535 15.104 -4.580 -0.964
214 HD2 PHE 535 2HD PHE 535 11.697 -3.177 1.160
215 HE1 PHE 535 1HE PHE 535 15.399 -2.354 -1.973
216 HE2 PHE 535 2HE PHE 535 11.983 -0.949 0.158
217 HZ PHE 535 HZ PHE 535 13.837 -0.535 -1.409
218 H GLY 536 H GLY 536 10.952 -5.007 -1.340
219 HA2 GLY 536 2HA GLY 536 8.661 -4.800 -1.261
220 HA3 GLY 536 1HA GLY 536 8.684 -6.551 -1.364
221 HA PRO 537 HA PRO 537 6.524 -6.531 2.523
222 HB2 PRO 537 2HB PRO 537 7.655 -9.233 2.918
223 HB3 PRO 537 1HB PRO 537 5.968 -8.719 2.843
224 HG2 PRO 537 2HG PRO 537 7.087 -10.083 0.836
225 HG3 PRO 537 1HG PRO 537 5.906 -8.794 0.532
226 HD2 PRO 537 2HD PRO 537 8.890 -8.728 0.292
227 HD3 PRO 537 1HD PRO 537 7.657 -8.023 -0.774
228 H ALA 538 H ALA 538 9.887 -6.722 2.212
229 HA ALA 538 HA ALA 538 10.471 -7.081 5.015
230 HB1 ALA 538 1HB ALA 538 11.913 -7.424 2.672
231 HB2 ALA 538 2HB ALA 538 12.537 -7.540 4.318
232 HB3 ALA 538 3HB ALA 538 12.656 -6.018 3.434
233 H ALA 539 H ALA 539 9.958 -4.467 2.792
234 HA ALA 539 HA ALA 539 11.131 -2.437 4.450
235 HB1 ALA 539 1HB ALA 539 9.682 -2.531 1.879
236 HB2 ALA 539 2HB ALA 539 11.160 -1.673 2.316
237 HB3 ALA 539 3HB ALA 539 9.589 -1.024 2.788
238 H GLU 540 H GLU 540 8.129 -4.030 4.177
239 HA GLU 540 HA GLU 540 6.150 -2.425 4.962
240 HB2 GLU 540 2HB GLU 540 6.853 -5.221 5.411
241 HB3 GLU 540 1HB GLU 540 5.689 -4.585 6.571
242 HG2 GLU 540 2HG GLU 540 4.459 -3.706 4.468
243 HG3 GLU 540 1HG GLU 540 5.448 -4.888 3.610
244 H GLY 541 H GLY 541 6.821 -0.646 6.256
245 HA2 GLY 541 2HA GLY 541 6.191 -0.146 8.630
246 HA3 GLY 541 1HA GLY 541 7.395 -1.341 9.063
247 H ILE 542 H ILE 542 8.846 0.094 6.553
248 HA ILE 542 HA ILE 542 10.189 1.996 8.341
249 HB ILE 542 HB ILE 542 11.234 1.127 5.666
250 HG12 ILE 542 2HG1 ILE 542 12.406 -0.184 8.008
251 HG13 ILE 542 1HG1 ILE 542 10.731 -0.648 7.712
252 HG21 ILE 542 1HG2 ILE 542 13.267 1.988 6.356
253 HG22 ILE 542 2HG2 ILE 542 12.843 1.892 8.065
254 HG23 ILE 542 3HG2 ILE 542 12.115 3.132 7.043
255 HD11 ILE 542 3HD1 ILE 542 13.154 -1.251 6.189
256 HD12 ILE 542 1HD1 ILE 542 11.745 -0.804 5.224
257 HD13 ILE 542 2HD1 ILE 542 11.649 -2.158 6.353
258 H TYR 543 H TYR 543 8.440 1.831 5.303
259 HA TYR 543 HA TYR 543 7.871 4.587 5.340
260 HB2 TYR 543 2HB TYR 543 9.245 4.880 3.013
261 HB3 TYR 543 1HB TYR 543 9.849 5.382 4.589
262 HD1 TYR 543 2HD TYR 543 9.591 1.929 3.206
263 HD2 TYR 543 1HD TYR 543 12.160 5.105 4.402
264 HE1 TYR 543 2HE TYR 543 11.537 0.455 2.923
265 HE2 TYR 543 1HE TYR 543 14.113 3.637 4.122
266 HH TYR 543 HH TYR 543 14.673 1.556 2.771
267 H ILE 544 H ILE 544 8.678 3.335 2.205
268 HA ILE 544 HA ILE 544 5.956 3.491 1.375
269 HB ILE 544 HB ILE 544 7.991 2.119 -0.314
270 HG12 ILE 544 2HG1 ILE 544 8.393 4.727 -0.993
271 HG13 ILE 544 1HG1 ILE 544 8.224 4.865 0.753
272 HG21 ILE 544 1HG2 ILE 544 5.735 4.051 -0.794
273 HG22 ILE 544 2HG2 ILE 544 5.812 2.345 -1.233
274 HG23 ILE 544 3HG2 ILE 544 6.844 3.515 -2.055
275 HD11 ILE 544 3HD1 ILE 544 9.966 2.999 0.879
276 HD12 ILE 544 1HD1 ILE 544 10.509 4.605 0.398
277 HD13 ILE 544 2HD1 ILE 544 10.273 3.352 -0.819
278 H GLU 545 H GLU 545 8.248 0.768 1.209
279 HA GLU 545 HA GLU 545 7.956 -1.465 1.624
280 HB2 GLU 545 2HB GLU 545 5.056 -1.048 2.290
281 HB3 GLU 545 1HB GLU 545 6.171 -2.259 2.909
282 HG2 GLU 545 2HG GLU 545 7.062 -0.852 4.472
283 HG3 GLU 545 1HG GLU 545 6.713 0.596 3.542
284 H GLY 546 H GLY 546 6.608 -3.350 0.730
285 HA2 GLY 546 2HA GLY 546 6.395 -3.197 -2.010
286 HA3 GLY 546 1HA GLY 546 5.512 -4.364 -1.032
287 H LEU 547 H LEU 547 3.401 -3.845 -0.311
288 HA LEU 547 HA LEU 547 1.250 -3.274 -0.960
289 HB2 LEU 547 2HB LEU 547 0.791 -0.935 -0.309
290 HB3 LEU 547 1HB LEU 547 1.761 -1.804 0.868
291 HG LEU 547 HG LEU 547 3.794 -0.688 -0.152
292 HD11 LEU 547 1HD1 LEU 547 3.211 1.527 -1.266
293 HD12 LEU 547 2HD1 LEU 547 1.623 0.821 -1.573
294 HD13 LEU 547 3HD1 LEU 547 3.068 0.069 -2.249
295 HD21 LEU 547 3HD2 LEU 547 1.634 0.726 1.349
296 HD22 LEU 547 1HD2 LEU 547 3.116 1.579 0.910
297 HD23 LEU 547 2HD2 LEU 547 3.196 0.133 1.917
298 H MET 548 H MET 548 2.878 -3.466 -3.318
299 HA MET 548 HA MET 548 2.604 -1.200 -4.976
300 HB2 MET 548 2HB MET 548 2.701 -4.027 -5.965
301 HB3 MET 548 1HB MET 548 3.271 -2.571 -6.766
302 HG2 MET 548 2HG MET 548 5.282 -2.799 -5.876
303 HG3 MET 548 1HG MET 548 4.602 -2.863 -4.252
304 HE1 MET 548 3HE MET 548 3.219 -5.665 -3.679
305 HE2 MET 548 1HE MET 548 4.401 -4.643 -2.862
306 HE3 MET 548 2HE MET 548 4.760 -6.345 -3.154
307 H HIS 549 H HIS 549 0.117 -1.692 -3.706
308 HA HIS 549 HA HIS 549 -1.576 -2.254 -6.044
309 HB2 HIS 549 2HB HIS 549 -2.569 -2.491 -3.216
310 HB3 HIS 549 1HB HIS 549 -3.223 -3.217 -4.679
311 HD1 HIS 549 1HD HIS 549 -1.614 -4.219 -1.749
312 HD2 HIS 549 2HD HIS 549 -1.010 -5.110 -5.762
313 HE1 HIS 549 1HE HIS 549 -0.332 -6.381 -1.772
314 HE2 HIS 549 2HE HIS 549 -0.064 -6.950 -4.211
315 H ASN 550 H ASN 550 -0.450 0.023 -3.866
316 HA ASN 550 HA ASN 550 -0.918 2.217 -3.492
317 HB2 ASN 550 2HB ASN 550 -2.451 1.669 -5.992
318 HB3 ASN 550 1HB ASN 550 -2.771 3.176 -5.140
319 HD21 ASN 550 1HD2 ASN 550 0.319 1.509 -5.257
320 HD22 ASN 550 2HD2 ASN 550 1.152 2.726 -6.151
321 H GLN 551 H GLN 551 -3.693 0.068 -3.724
322 HA GLN 551 HA GLN 551 -5.358 -0.277 -2.218
323 HB2 GLN 551 2HB GLN 551 -4.647 2.302 -0.842
324 HB3 GLN 551 1HB GLN 551 -5.581 0.952 -0.217
325 HG2 GLN 551 2HG GLN 551 -3.463 -0.427 -0.522
326 HG3 GLN 551 1HG GLN 551 -2.634 1.120 -0.678
327 HE21 GLN 551 1HE2 GLN 551 -3.764 -1.212 1.448
328 HE22 GLN 551 2HE2 GLN 551 -3.575 -0.333 2.922
329 H ASP 552 H ASP 552 -7.331 -0.050 -2.795
330 HA ASP 552 HA ASP 552 -8.560 2.517 -3.255
331 HB2 ASP 552 2HB ASP 552 -7.891 0.651 -5.493
332 HB3 ASP 552 1HB ASP 552 -9.385 1.577 -5.573
333 H GLY 553 H GLY 553 -9.351 1.064 -1.269
334 HA2 GLY 553 2HA GLY 553 -11.264 0.182 -0.347
335 HA3 GLY 553 1HA GLY 553 -12.013 0.289 -1.931
336 H LEU 554 H LEU 554 -9.323 -1.566 -0.508
337 HA LEU 554 HA LEU 554 -10.439 -3.977 -1.771
338 HB2 LEU 554 2HB LEU 554 -7.620 -3.530 -0.794
339 HB3 LEU 554 1HB LEU 554 -8.208 -4.907 -1.711
340 HG LEU 554 HG LEU 554 -7.838 -2.078 -2.684
341 HD11 LEU 554 1HD1 LEU 554 -6.027 -2.825 -3.788
342 HD12 LEU 554 2HD1 LEU 554 -6.754 -4.392 -4.139
343 HD13 LEU 554 3HD1 LEU 554 -6.040 -4.085 -2.554
344 HD21 LEU 554 3HD2 LEU 554 -9.852 -2.698 -3.704
345 HD22 LEU 554 1HD2 LEU 554 -9.336 -4.373 -3.911
346 HD23 LEU 554 2HD2 LEU 554 -8.615 -3.100 -4.896
347 H ILE 555 H ILE 555 -9.328 -2.580 1.230
348 HA ILE 555 HA ILE 555 -9.971 -5.082 2.631
349 HB ILE 555 HB ILE 555 -8.886 -3.431 4.557
350 HG12 ILE 555 2HG1 ILE 555 -8.217 -1.877 2.667
351 HG13 ILE 555 1HG1 ILE 555 -6.908 -2.413 3.711
352 HG21 ILE 555 1HG2 ILE 555 -8.508 -5.862 4.089
353 HG22 ILE 555 2HG2 ILE 555 -7.076 -4.963 4.590
354 HG23 ILE 555 3HG2 ILE 555 -7.308 -5.376 2.891
355 HD11 ILE 555 3HD1 ILE 555 -6.776 -2.417 1.039
356 HD12 ILE 555 1HD1 ILE 555 -7.391 -4.048 1.311
357 HD13 ILE 555 2HD1 ILE 555 -5.878 -3.539 2.060
358 H CYS 556 H CYS 556 -11.055 -1.877 2.098
359 HA CYS 556 HA CYS 556 -12.654 -1.776 4.512
360 HB2 CYS 556 2HB CYS 556 -11.524 0.195 3.108
361 HB3 CYS 556 1HB CYS 556 -13.073 0.160 2.283
362 H GLY 557 H GLY 557 -13.018 -3.824 2.353
363 HA2 GLY 557 2HA GLY 557 -15.718 -4.255 2.530
364 HA3 GLY 557 1HA GLY 557 -15.479 -3.326 1.051
365 H LEU 558 H LEU 558 -15.452 -4.617 -0.637
366 HA LEU 558 HA LEU 558 -13.599 -6.837 -0.696
367 HB2 LEU 558 2HB LEU 558 -16.313 -7.536 -1.654
368 HB3 LEU 558 1HB LEU 558 -15.066 -8.560 -0.971
369 HG LEU 558 HG LEU 558 -16.618 -6.623 0.727
370 HD11 LEU 558 1HD1 LEU 558 -18.152 -8.169 -0.495
371 HD12 LEU 558 2HD1 LEU 558 -18.189 -8.325 1.262
372 HD13 LEU 558 3HD1 LEU 558 -17.323 -9.514 0.289
373 HD21 LEU 558 3HD2 LEU 558 -15.444 -7.463 2.423
374 HD22 LEU 558 1HD2 LEU 558 -14.409 -8.234 1.221
375 HD23 LEU 558 2HD2 LEU 558 -15.766 -9.121 1.913
376 H ARG 559 H ARG 559 -16.071 -4.945 -2.348
377 HA ARG 559 HA ARG 559 -14.390 -4.942 -4.741
378 HB2 ARG 559 2HB ARG 559 -16.689 -4.994 -6.018
379 HB3 ARG 559 1HB ARG 559 -15.897 -6.487 -5.539
380 HG2 ARG 559 2HG ARG 559 -17.405 -6.889 -3.824
381 HG3 ARG 559 1HG ARG 559 -17.921 -5.203 -3.752
382 HD2 ARG 559 2HD ARG 559 -19.706 -6.061 -4.861
383 HD3 ARG 559 1HD ARG 559 -18.668 -5.734 -6.247
384 HE ARG 559 HE ARG 559 -19.411 -8.322 -5.188
385 HH11 ARG 559 1HH1 ARG 559 -17.232 -6.544 -7.262
386 HH12 ARG 559 2HH1 ARG 559 -16.773 -7.938 -8.178
387 HH21 ARG 559 1HH2 ARG 559 -18.805 -10.150 -6.397
388 HH22 ARG 559 2HH2 ARG 559 -17.664 -9.982 -7.689
389 H GLN 560 H GLN 560 -14.525 -2.958 -2.833
390 HA GLN 560 HA GLN 560 -16.326 -0.939 -2.953
391 HB2 GLN 560 2HB GLN 560 -13.315 -0.686 -2.941
392 HB3 GLN 560 1HB GLN 560 -14.411 0.646 -2.610
393 HG2 GLN 560 2HG GLN 560 -13.828 -1.776 -0.959
394 HG3 GLN 560 1HG GLN 560 -13.794 -0.071 -0.497
395 HE21 GLN 560 1HE2 GLN 560 -15.881 -2.785 -1.268
396 HE22 GLN 560 2HE2 GLN 560 -17.272 -2.202 -0.426
Start of MODEL 7
1 H1 ALA 507 1HT ALA 507 -9.247 -11.158 -1.344
2 H2 ALA 507 2HT ALA 507 -10.741 -11.874 -1.793
3 H3 ALA 507 3HT ALA 507 -9.847 -12.503 -0.469
4 HA ALA 507 HA ALA 507 -11.124 -9.860 -0.646
5 HB1 ALA 507 2HB ALA 507 -11.919 -12.472 0.486
6 HB2 ALA 507 3HB ALA 507 -12.908 -11.166 -0.166
7 HB3 ALA 507 1HB ALA 507 -12.254 -11.044 1.467
8 H GLN 508 H GLN 508 -11.417 -9.269 1.897
9 HA GLN 508 HA GLN 508 -9.350 -9.871 3.676
10 HB2 GLN 508 2HB GLN 508 -8.258 -7.473 3.424
11 HB3 GLN 508 1HB GLN 508 -7.669 -8.853 2.511
12 HG2 GLN 508 2HG GLN 508 -9.782 -7.537 1.069
13 HG3 GLN 508 1HG GLN 508 -8.530 -6.385 1.518
14 HE21 GLN 508 1HE2 GLN 508 -6.233 -7.486 1.249
15 HE22 GLN 508 2HE2 GLN 508 -5.976 -8.177 -0.314
16 HA PRO 509 HA PRO 509 -12.374 -7.395 5.892
17 HB2 PRO 509 2HB PRO 509 -12.245 -8.641 8.178
18 HB3 PRO 509 1HB PRO 509 -12.693 -9.582 6.743
19 HG2 PRO 509 2HG PRO 509 -10.016 -9.333 8.072
20 HG3 PRO 509 1HG PRO 509 -10.862 -10.812 7.571
21 HD2 PRO 509 2HD PRO 509 -8.930 -9.500 6.071
22 HD3 PRO 509 1HD PRO 509 -10.157 -10.594 5.397
23 H LYS 510 H LYS 510 -11.406 -5.367 6.005
24 HA LYS 510 HA LYS 510 -10.162 -4.720 8.519
25 HB2 LYS 510 2HB LYS 510 -8.697 -4.654 5.948
26 HB3 LYS 510 1HB LYS 510 -8.462 -3.285 7.026
27 HG2 LYS 510 2HG LYS 510 -8.084 -6.152 7.846
28 HG3 LYS 510 1HG LYS 510 -6.783 -5.110 7.265
29 HD2 LYS 510 2HD LYS 510 -6.542 -4.218 9.289
30 HD3 LYS 510 1HD LYS 510 -8.244 -3.751 9.321
31 HE2 LYS 510 2HE LYS 510 -8.260 -5.149 11.106
32 HE3 LYS 510 1HE LYS 510 -8.521 -6.352 9.843
33 HZ1 LYS 510 3HZ LYS 510 -6.728 -7.361 10.645
34 HZ2 LYS 510 1HZ LYS 510 -6.308 -6.043 11.618
35 HZ3 LYS 510 2HZ LYS 510 -5.801 -6.099 10.006
36 H CYS 511 H CYS 511 -10.752 -3.360 5.336
37 HA CYS 511 HA CYS 511 -12.039 -1.645 4.625
38 HB2 CYS 511 2HB CYS 511 -13.256 -2.324 7.083
39 HB3 CYS 511 1HB CYS 511 -13.160 -0.569 7.020
40 H ASN 512 H ASN 512 -9.399 -1.273 5.138
41 HA ASN 512 HA ASN 512 -9.388 1.585 5.631
42 HB2 ASN 512 2HB ASN 512 -8.759 0.167 7.762
43 HB3 ASN 512 1HB ASN 512 -7.199 0.041 6.952
44 HD21 ASN 512 1HD2 ASN 512 -6.641 2.341 5.916
45 HD22 ASN 512 2HD2 ASN 512 -6.685 3.631 7.061
46 HA PRO 513 HA PRO 513 -6.336 -0.245 2.411
47 HB2 PRO 513 2HB PRO 513 -7.770 0.136 0.129
48 HB3 PRO 513 1HB PRO 513 -7.757 -1.382 1.023
49 HG2 PRO 513 2HG PRO 513 -9.803 0.790 1.023
50 HG3 PRO 513 1HG PRO 513 -10.024 -0.961 1.048
51 HD2 PRO 513 2HD PRO 513 -10.251 0.592 3.263
52 HD3 PRO 513 1HD PRO 513 -9.706 -1.097 3.316
53 H ASN 514 H ASN 514 -8.603 2.089 0.994
54 HA ASN 514 HA ASN 514 -6.406 3.867 0.415
55 HB2 ASN 514 2HB ASN 514 -7.765 4.806 -1.202
56 HB3 ASN 514 1HB ASN 514 -8.397 3.165 -1.126
57 HD21 ASN 514 1HD2 ASN 514 -10.456 2.823 -0.490
58 HD22 ASN 514 2HD2 ASN 514 -11.570 4.084 -0.096
59 H LEU 515 H LEU 515 -7.707 3.470 3.184
60 HA LEU 515 HA LEU 515 -8.268 6.311 3.699
61 HB2 LEU 515 2HB LEU 515 -9.218 3.827 5.121
62 HB3 LEU 515 1HB LEU 515 -9.393 5.438 5.794
63 HG LEU 515 HG LEU 515 -11.477 4.923 4.809
64 HD11 LEU 515 1HD1 LEU 515 -11.755 6.822 3.646
65 HD12 LEU 515 2HD1 LEU 515 -10.501 6.412 2.477
66 HD13 LEU 515 3HD1 LEU 515 -10.058 7.104 4.038
67 HD21 LEU 515 3HD2 LEU 515 -11.796 4.018 2.622
68 HD22 LEU 515 1HD2 LEU 515 -10.591 3.019 3.435
69 HD23 LEU 515 2HD2 LEU 515 -10.086 4.205 2.233
70 H HIS 516 H HIS 516 -5.676 5.520 3.449
71 HA HIS 516 HA HIS 516 -4.407 6.533 5.662
72 HB2 HIS 516 2HB HIS 516 -5.045 3.681 5.954
73 HB3 HIS 516 1HB HIS 516 -3.348 4.063 6.215
74 HD1 HIS 516 1HD HIS 516 -4.696 3.084 8.631
75 HD2 HIS 516 2HD HIS 516 -4.857 7.091 7.543
76 HE1 HIS 516 1HE HIS 516 -5.228 4.334 10.747
77 HE2 HIS 516 2HE HIS 516 -5.243 6.764 10.079
78 H TYR 517 H TYR 517 -4.303 4.267 3.014
79 HA TYR 517 HA TYR 517 -1.725 3.752 2.501
80 HB2 TYR 517 2HB TYR 517 -2.243 3.596 0.185
81 HB3 TYR 517 1HB TYR 517 -3.717 3.197 1.054
82 HD1 TYR 517 2HD TYR 517 -5.185 5.463 1.563
83 HD2 TYR 517 1HD TYR 517 -2.536 4.858 -1.708
84 HE1 TYR 517 2HE TYR 517 -6.405 7.160 0.268
85 HE2 TYR 517 1HE TYR 517 -3.749 6.553 -3.012
86 HH TYR 517 HH TYR 517 -5.209 8.430 -2.688
87 H TRP 518 H TRP 518 -3.248 6.848 1.673
88 HA TRP 518 HA TRP 518 -1.180 8.151 0.425
89 HB2 TRP 518 2HB TRP 518 -2.224 10.247 1.616
90 HB3 TRP 518 1HB TRP 518 -3.156 9.352 0.419
91 HD1 TRP 518 HD TRP 518 -2.677 8.511 4.174
92 HE1 TRP 518 1HE TRP 518 -4.995 8.323 5.251
93 HE3 TRP 518 3HE TRP 518 -5.537 9.844 0.155
94 HZ2 TRP 518 2HZ TRP 518 -7.693 8.706 4.504
95 HZ3 TRP 518 3HZ TRP 518 -7.982 9.913 0.421
96 HH2 TRP 518 HH TRP 518 -9.037 9.354 2.552
97 H THR 519 H THR 519 -1.342 7.230 3.737
98 HA THR 519 HA THR 519 0.198 9.134 5.015
99 HB THR 519 HB THR 519 -0.993 7.263 6.090
100 HG1 THR 519 1HG THR 519 1.755 7.299 6.762
101 HG21 THR 519 3HG2 THR 519 1.339 5.522 5.440
102 HG22 THR 519 1HG2 THR 519 -0.164 5.504 4.516
103 HG23 THR 519 2HG2 THR 519 -0.180 5.089 6.229
104 H THR 520 H THR 520 1.332 6.138 3.505
105 HA THR 520 HA THR 520 3.985 7.355 3.173
106 HB THR 520 HB THR 520 3.566 5.286 4.843
107 HG1 THR 520 1HG THR 520 5.781 5.507 3.088
108 HG21 THR 520 3HG2 THR 520 4.137 3.958 2.198
109 HG22 THR 520 1HG2 THR 520 2.681 3.761 3.175
110 HG23 THR 520 2HG2 THR 520 4.234 3.189 3.784
111 H GLN 521 H GLN 521 1.504 5.180 2.015
112 HA GLN 521 HA GLN 521 2.803 4.773 -0.532
113 HB2 GLN 521 2HB GLN 521 1.554 2.912 -0.296
114 HB3 GLN 521 1HB GLN 521 0.526 3.655 0.915
115 HG2 GLN 521 2HG GLN 521 -0.738 2.894 -1.008
116 HG3 GLN 521 1HG GLN 521 -0.846 4.641 -0.813
117 HE21 GLN 521 1HE2 GLN 521 -1.031 5.476 -2.741
118 HE22 GLN 521 2HE2 GLN 521 -0.037 5.118 -4.109
119 H ASP 522 H ASP 522 2.279 5.752 -2.439
120 HA ASP 522 HA ASP 522 1.270 7.235 -3.911
121 HB2 ASP 522 2HB ASP 522 -0.733 7.060 -1.966
122 HB3 ASP 522 1HB ASP 522 -0.376 8.778 -2.083
123 H GLU 523 H GLU 523 3.298 7.603 -1.588
124 HA GLU 523 HA GLU 523 4.062 10.297 -2.300
125 HB2 GLU 523 2HB GLU 523 4.359 10.074 0.553
126 HB3 GLU 523 1HB GLU 523 3.519 11.310 -0.371
127 HG2 GLU 523 2HG GLU 523 2.036 8.798 -0.116
128 HG3 GLU 523 1HG GLU 523 2.357 9.608 1.416
129 H GLY 524 H GLY 524 4.597 7.339 -0.573
130 HA2 GLY 524 2HA GLY 524 7.498 7.620 -1.022
131 HA3 GLY 524 1HA GLY 524 6.843 6.913 0.448
132 H ALA 525 H ALA 525 4.660 5.650 -1.294
133 HA ALA 525 HA ALA 525 6.312 3.427 -2.288
134 HB1 ALA 525 1HB ALA 525 4.836 1.898 -1.443
135 HB2 ALA 525 2HB ALA 525 3.460 2.991 -1.575
136 HB3 ALA 525 3HB ALA 525 4.622 3.191 -0.263
137 H ALA 526 H ALA 526 5.322 5.875 -3.646
138 HA ALA 526 HA ALA 526 4.182 4.539 -5.978
139 HB1 ALA 526 1HB ALA 526 2.992 7.037 -4.812
140 HB2 ALA 526 2HB ALA 526 2.284 5.425 -4.701
141 HB3 ALA 526 3HB ALA 526 2.460 6.206 -6.273
142 H ILE 527 H ILE 527 6.488 6.528 -4.770
143 HA ILE 527 HA ILE 527 6.927 7.793 -7.381
144 HB ILE 527 HB ILE 527 8.137 9.471 -5.487
145 HG12 ILE 527 2HG1 ILE 527 6.451 8.240 -3.922
146 HG13 ILE 527 1HG1 ILE 527 6.581 9.994 -3.838
147 HG21 ILE 527 1HG2 ILE 527 7.403 10.652 -7.248
148 HG22 ILE 527 2HG2 ILE 527 5.957 10.868 -6.263
149 HG23 ILE 527 3HG2 ILE 527 6.003 9.611 -7.499
150 HD11 ILE 527 3HD1 ILE 527 4.524 10.315 -4.836
151 HD12 ILE 527 1HD1 ILE 527 4.253 8.877 -3.850
152 HD13 ILE 527 2HD1 ILE 527 4.524 8.719 -5.586
153 H GLY 528 H GLY 528 8.328 6.612 -4.360
154 HA2 GLY 528 2HA GLY 528 11.034 6.820 -5.322
155 HA3 GLY 528 1HA GLY 528 10.514 6.068 -3.821
156 H LEU 529 H LEU 529 10.276 3.874 -3.728
157 HA LEU 529 HA LEU 529 10.437 2.391 -6.249
158 HB2 LEU 529 2HB LEU 529 12.590 2.692 -4.472
159 HB3 LEU 529 1HB LEU 529 12.001 1.058 -4.237
160 HG LEU 529 HG LEU 529 12.150 0.798 -6.770
161 HD11 LEU 529 1HD1 LEU 529 12.992 2.414 -8.066
162 HD12 LEU 529 2HD1 LEU 529 14.231 2.845 -6.887
163 HD13 LEU 529 3HD1 LEU 529 12.598 3.488 -6.725
164 HD21 LEU 529 3HD2 LEU 529 14.736 0.643 -6.601
165 HD22 LEU 529 1HD2 LEU 529 13.736 -0.396 -5.585
166 HD23 LEU 529 2HD2 LEU 529 14.473 1.057 -4.906
167 H ALA 530 H ALA 530 8.240 1.923 -5.910
168 HA ALA 530 HA ALA 530 7.741 -0.089 -3.814
169 HB1 ALA 530 1HB ALA 530 6.290 1.568 -3.178
170 HB2 ALA 530 2HB ALA 530 5.267 0.653 -4.285
171 HB3 ALA 530 3HB ALA 530 6.047 2.136 -4.830
172 H TRP 531 H TRP 531 7.794 0.658 -7.110
173 HA TRP 531 HA TRP 531 5.983 -1.299 -8.115
174 HB2 TRP 531 2HB TRP 531 7.825 -0.774 -10.140
175 HB3 TRP 531 1HB TRP 531 6.316 0.091 -9.869
176 HD1 TRP 531 HD TRP 531 10.080 0.393 -9.173
177 HE1 TRP 531 1HE TRP 531 10.610 2.847 -8.627
178 HE3 TRP 531 3HE TRP 531 5.321 2.245 -9.090
179 HZ2 TRP 531 2HZ TRP 531 9.192 5.267 -8.231
180 HZ3 TRP 531 3HZ TRP 531 4.989 4.635 -8.618
181 HH2 TRP 531 HH TRP 531 6.882 6.114 -8.194
182 H ILE 532 H ILE 532 9.041 -1.480 -6.718
183 HA ILE 532 HA ILE 532 9.932 -3.802 -8.203
184 HB ILE 532 HB ILE 532 11.952 -3.687 -7.023
185 HG12 ILE 532 2HG1 ILE 532 11.056 -3.647 -4.741
186 HG13 ILE 532 1HG1 ILE 532 12.285 -2.406 -4.954
187 HG21 ILE 532 1HG2 ILE 532 12.455 -1.158 -6.910
188 HG22 ILE 532 2HG2 ILE 532 10.809 -0.959 -7.514
189 HG23 ILE 532 3HG2 ILE 532 11.992 -1.864 -8.460
190 HD11 ILE 532 3HD1 ILE 532 10.537 -1.438 -3.703
191 HD12 ILE 532 1HD1 ILE 532 9.312 -2.042 -4.815
192 HD13 ILE 532 2HD1 ILE 532 10.421 -0.774 -5.331
193 HA PRO 533 HA PRO 533 7.911 -6.533 -5.296
194 HB2 PRO 533 2HB PRO 533 8.383 -8.837 -6.546
195 HB3 PRO 533 1HB PRO 533 7.301 -7.627 -7.248
196 HG2 PRO 533 2HG PRO 533 10.136 -8.267 -7.943
197 HG3 PRO 533 1HG PRO 533 8.783 -7.868 -9.014
198 HD2 PRO 533 2HD PRO 533 10.746 -6.087 -8.170
199 HD3 PRO 533 1HD PRO 533 9.161 -5.630 -8.822
200 H TYR 534 H TYR 534 10.435 -5.625 -4.397
201 HA TYR 534 HA TYR 534 11.347 -8.033 -3.050
202 HB2 TYR 534 2HB TYR 534 13.538 -8.015 -3.741
203 HB3 TYR 534 1HB TYR 534 12.732 -7.488 -5.213
204 HD1 TYR 534 1HD TYR 534 12.650 -4.965 -5.677
205 HD2 TYR 534 2HD TYR 534 15.214 -6.713 -2.768
206 HE1 TYR 534 1HE TYR 534 14.067 -2.956 -5.727
207 HE2 TYR 534 2HE TYR 534 16.637 -4.708 -2.808
208 HH TYR 534 HH TYR 534 16.547 -2.397 -3.409
209 H PHE 535 H PHE 535 10.284 -4.999 -2.732
210 HA PHE 535 HA PHE 535 12.150 -4.074 -0.723
211 HB2 PHE 535 2HB PHE 535 10.237 -2.861 -2.408
212 HB3 PHE 535 1HB PHE 535 9.709 -2.563 -0.756
213 HD1 PHE 535 1HD PHE 535 12.489 -2.120 -3.131
214 HD2 PHE 535 2HD PHE 535 10.853 -1.040 0.642
215 HE1 PHE 535 1HE PHE 535 14.130 -0.302 -2.952
216 HE2 PHE 535 2HE PHE 535 12.495 0.782 0.835
217 HZ PHE 535 HZ PHE 535 14.135 1.153 -0.960
218 H GLY 536 H GLY 536 10.383 -6.567 -0.368
219 HA2 GLY 536 2HA GLY 536 8.402 -6.131 1.532
220 HA3 GLY 536 1HA GLY 536 9.369 -7.593 1.425
221 HA PRO 537 HA PRO 537 11.203 -6.496 5.295
222 HB2 PRO 537 2HB PRO 537 13.711 -7.780 4.616
223 HB3 PRO 537 1HB PRO 537 12.433 -8.352 5.689
224 HG2 PRO 537 2HG PRO 537 13.028 -9.524 3.298
225 HG3 PRO 537 1HG PRO 537 11.419 -9.572 4.040
226 HD2 PRO 537 2HD PRO 537 12.442 -7.817 1.839
227 HD3 PRO 537 1HD PRO 537 10.866 -8.622 2.002
228 H ALA 538 H ALA 538 12.334 -5.248 2.414
229 HA ALA 538 HA ALA 538 14.787 -4.078 3.148
230 HB1 ALA 538 1HB ALA 538 12.957 -2.771 1.181
231 HB2 ALA 538 2HB ALA 538 13.662 -4.345 0.814
232 HB3 ALA 538 3HB ALA 538 14.709 -2.962 1.130
233 H ALA 539 H ALA 539 11.503 -2.695 3.034
234 HA ALA 539 HA ALA 539 12.423 -0.374 4.532
235 HB1 ALA 539 1HB ALA 539 10.442 0.676 3.925
236 HB2 ALA 539 2HB ALA 539 9.595 -0.853 3.696
237 HB3 ALA 539 3HB ALA 539 10.804 -0.329 2.521
238 H GLU 540 H GLU 540 10.258 -3.109 4.775
239 HA GLU 540 HA GLU 540 9.049 -3.979 6.498
240 HB2 GLU 540 2HB GLU 540 10.404 -4.592 8.363
241 HB3 GLU 540 1HB GLU 540 11.405 -4.617 6.917
242 HG2 GLU 540 2HG GLU 540 12.493 -2.614 7.513
243 HG3 GLU 540 1HG GLU 540 11.324 -2.273 8.788
244 H GLY 541 H GLY 541 8.722 -1.018 6.175
245 HA2 GLY 541 2HA GLY 541 6.861 -0.159 7.652
246 HA3 GLY 541 1HA GLY 541 7.995 -0.382 8.967
247 H ILE 542 H ILE 542 9.359 0.787 6.032
248 HA ILE 542 HA ILE 542 9.593 3.439 7.274
249 HB ILE 542 HB ILE 542 11.172 2.397 4.929
250 HG12 ILE 542 2HG1 ILE 542 12.415 2.624 7.617
251 HG13 ILE 542 1HG1 ILE 542 11.337 1.256 7.351
252 HG21 ILE 542 1HG2 ILE 542 12.581 4.246 5.230
253 HG22 ILE 542 2HG2 ILE 542 11.915 4.603 6.824
254 HG23 ILE 542 3HG2 ILE 542 10.947 4.894 5.378
255 HD11 ILE 542 3HD1 ILE 542 12.939 1.325 5.099
256 HD12 ILE 542 1HD1 ILE 542 13.062 0.205 6.454
257 HD13 ILE 542 2HD1 ILE 542 14.032 1.678 6.439
258 H TYR 543 H TYR 543 8.768 1.823 4.244
259 HA TYR 543 HA TYR 543 6.948 3.957 3.579
260 HB2 TYR 543 2HB TYR 543 8.325 3.836 1.165
261 HB3 TYR 543 1HB TYR 543 8.345 5.164 2.316
262 HD1 TYR 543 1HD TYR 543 9.973 1.793 2.340
263 HD2 TYR 543 2HD TYR 543 10.480 6.016 2.445
264 HE1 TYR 543 1HE TYR 543 12.392 1.489 2.639
265 HE2 TYR 543 2HE TYR 543 12.902 5.722 2.746
266 HH TYR 543 HH TYR 543 14.319 3.003 3.728
267 H ILE 544 H ILE 544 8.491 1.939 1.142
268 HA ILE 544 HA ILE 544 6.022 0.924 0.227
269 HB ILE 544 HB ILE 544 8.751 -0.231 -0.329
270 HG12 ILE 544 2HG1 ILE 544 8.158 1.358 -2.472
271 HG13 ILE 544 1HG1 ILE 544 7.498 2.308 -1.145
272 HG21 ILE 544 1HG2 ILE 544 6.417 -0.173 -2.202
273 HG22 ILE 544 2HG2 ILE 544 6.569 -1.439 -0.986
274 HG23 ILE 544 3HG2 ILE 544 7.824 -1.235 -2.207
275 HD11 ILE 544 3HD1 ILE 544 10.137 1.295 -0.533
276 HD12 ILE 544 1HD1 ILE 544 9.517 2.945 -0.487
277 HD13 ILE 544 2HD1 ILE 544 10.120 2.271 -2.002
278 H GLU 545 H GLU 545 8.693 -0.652 1.967
279 HA GLU 545 HA GLU 545 8.802 -2.590 3.153
280 HB2 GLU 545 2HB GLU 545 5.954 -2.616 3.894
281 HB3 GLU 545 1HB GLU 545 7.386 -2.663 4.912
282 HG2 GLU 545 2HG GLU 545 7.627 -0.276 4.774
283 HG3 GLU 545 1HG GLU 545 6.316 -0.173 3.603
284 H GLY 546 H GLY 546 7.935 -2.702 0.325
285 HA2 GLY 546 2HA GLY 546 7.657 -4.636 -1.001
286 HA3 GLY 546 1HA GLY 546 6.942 -5.453 0.381
287 H LEU 547 H LEU 547 5.353 -2.799 0.673
288 HA LEU 547 HA LEU 547 2.960 -3.725 -0.422
289 HB2 LEU 547 2HB LEU 547 2.011 -1.877 0.519
290 HB3 LEU 547 1HB LEU 547 3.530 -1.895 1.401
291 HG LEU 547 HG LEU 547 4.334 -0.341 -0.547
292 HD11 LEU 547 1HD1 LEU 547 1.415 -0.450 -0.885
293 HD12 LEU 547 2HD1 LEU 547 2.686 -0.104 -2.056
294 HD13 LEU 547 3HD1 LEU 547 2.145 1.156 -0.943
295 HD21 LEU 547 3HD2 LEU 547 3.398 1.625 0.778
296 HD22 LEU 547 1HD2 LEU 547 4.393 0.459 1.652
297 HD23 LEU 547 2HD2 LEU 547 2.635 0.413 1.806
298 H MET 548 H MET 548 2.186 -3.670 -2.393
299 HA MET 548 HA MET 548 3.139 -1.644 -4.290
300 HB2 MET 548 2HB MET 548 2.697 -4.476 -5.161
301 HB3 MET 548 1HB MET 548 3.532 -3.186 -6.010
302 HG2 MET 548 2HG MET 548 5.465 -3.819 -5.158
303 HG3 MET 548 1HG MET 548 4.842 -3.660 -3.523
304 HE1 MET 548 3HE MET 548 3.504 -6.990 -2.552
305 HE2 MET 548 1HE MET 548 2.431 -6.318 -3.780
306 HE3 MET 548 2HE MET 548 3.184 -5.256 -2.591
307 H HIS 549 H HIS 549 0.528 -3.150 -2.848
308 HA HIS 549 HA HIS 549 -1.282 -3.075 -5.078
309 HB2 HIS 549 2HB HIS 549 -2.068 -3.144 -2.167
310 HB3 HIS 549 1HB HIS 549 -2.962 -3.765 -3.550
311 HD1 HIS 549 1HD HIS 549 -0.800 -4.833 -0.883
312 HD2 HIS 549 2HD HIS 549 -1.544 -6.082 -4.775
313 HE1 HIS 549 1HE HIS 549 0.072 -7.189 -1.011
314 HE2 HIS 549 2HE HIS 549 -0.483 -7.957 -3.345
315 H ASN 550 H ASN 550 -0.192 -0.943 -2.595
316 HA ASN 550 HA ASN 550 -0.424 1.301 -2.340
317 HB2 ASN 550 2HB ASN 550 -2.344 1.335 -4.666
318 HB3 ASN 550 1HB ASN 550 -1.376 2.667 -4.043
319 HD21 ASN 550 1HD2 ASN 550 1.066 1.412 -3.750
320 HD22 ASN 550 2HD2 ASN 550 1.676 0.990 -5.310
321 H GLN 551 H GLN 551 -3.310 -0.662 -2.694
322 HA GLN 551 HA GLN 551 -5.182 -0.756 -1.422
323 HB2 GLN 551 2HB GLN 551 -4.121 1.564 0.176
324 HB3 GLN 551 1HB GLN 551 -5.332 0.387 0.654
325 HG2 GLN 551 2HG GLN 551 -3.538 -1.365 0.422
326 HG3 GLN 551 1HG GLN 551 -2.389 -0.031 0.318
327 HE21 GLN 551 1HE2 GLN 551 -1.586 0.725 2.148
328 HE22 GLN 551 2HE2 GLN 551 -2.218 0.434 3.728
329 H ASP 552 H ASP 552 -7.025 -0.159 -2.173
330 HA ASP 552 HA ASP 552 -7.757 2.607 -2.508
331 HB2 ASP 552 2HB ASP 552 -6.456 1.606 -4.627
332 HB3 ASP 552 1HB ASP 552 -8.084 1.063 -5.017
333 H GLY 553 H GLY 553 -9.043 1.100 -0.790
334 HA2 GLY 553 2HA GLY 553 -11.174 0.453 -0.216
335 HA3 GLY 553 1HA GLY 553 -11.685 0.964 -1.812
336 H LEU 554 H LEU 554 -9.157 -1.388 -1.531
337 HA LEU 554 HA LEU 554 -10.816 -3.344 -2.873
338 HB2 LEU 554 2HB LEU 554 -8.034 -3.877 -1.905
339 HB3 LEU 554 1HB LEU 554 -8.858 -4.535 -3.305
340 HG LEU 554 HG LEU 554 -7.893 -1.687 -3.052
341 HD11 LEU 554 1HD1 LEU 554 -6.296 -3.830 -3.334
342 HD12 LEU 554 2HD1 LEU 554 -5.963 -2.259 -4.067
343 HD13 LEU 554 3HD1 LEU 554 -6.716 -3.535 -5.023
344 HD21 LEU 554 3HD2 LEU 554 -9.444 -3.180 -5.104
345 HD22 LEU 554 1HD2 LEU 554 -8.261 -1.989 -5.648
346 HD23 LEU 554 2HD2 LEU 554 -9.580 -1.500 -4.583
347 H ILE 555 H ILE 555 -9.613 -2.715 0.306
348 HA ILE 555 HA ILE 555 -10.263 -5.389 1.261
349 HB ILE 555 HB ILE 555 -9.353 -3.091 2.978
350 HG12 ILE 555 2HG1 ILE 555 -7.328 -5.014 1.961
351 HG13 ILE 555 1HG1 ILE 555 -7.885 -3.792 0.824
352 HG21 ILE 555 1HG2 ILE 555 -9.900 -4.787 4.396
353 HG22 ILE 555 2HG2 ILE 555 -8.223 -5.214 4.060
354 HG23 ILE 555 3HG2 ILE 555 -9.530 -6.038 3.215
355 HD11 ILE 555 3HD1 ILE 555 -7.382 -2.325 3.078
356 HD12 ILE 555 1HD1 ILE 555 -6.296 -2.511 1.701
357 HD13 ILE 555 2HD1 ILE 555 -6.116 -3.552 3.116
358 H CYS 556 H CYS 556 -11.295 -2.044 1.685
359 HA CYS 556 HA CYS 556 -13.314 -2.618 3.594
360 HB2 CYS 556 2HB CYS 556 -12.077 -0.387 3.094
361 HB3 CYS 556 1HB CYS 556 -13.291 -0.175 1.841
362 H GLY 557 H GLY 557 -13.563 -1.555 0.189
363 HA2 GLY 557 2HA GLY 557 -16.281 -2.693 0.164
364 HA3 GLY 557 1HA GLY 557 -15.707 -1.433 -0.909
365 H LEU 558 H LEU 558 -13.148 -3.012 -1.283
366 HA LEU 558 HA LEU 558 -12.288 -4.575 -2.703
367 HB2 LEU 558 2HB LEU 558 -14.961 -5.940 -2.610
368 HB3 LEU 558 1HB LEU 558 -13.399 -6.659 -2.962
369 HG LEU 558 HG LEU 558 -12.953 -5.740 -0.453
370 HD11 LEU 558 1HD1 LEU 558 -15.860 -5.925 -0.811
371 HD12 LEU 558 2HD1 LEU 558 -14.912 -5.038 0.383
372 HD13 LEU 558 3HD1 LEU 558 -15.224 -6.760 0.606
373 HD21 LEU 558 3HD2 LEU 558 -14.098 -8.370 -1.361
374 HD22 LEU 558 1HD2 LEU 558 -13.504 -8.088 0.275
375 HD23 LEU 558 2HD2 LEU 558 -12.405 -7.954 -1.098
376 H ARG 559 H ARG 559 -14.246 -2.313 -3.549
377 HA ARG 559 HA ARG 559 -14.060 -2.840 -6.358
378 HB2 ARG 559 2HB ARG 559 -16.715 -2.329 -6.402
379 HB3 ARG 559 1HB ARG 559 -16.028 -3.947 -6.461
380 HG2 ARG 559 2HG ARG 559 -16.417 -4.294 -4.145
381 HG3 ARG 559 1HG ARG 559 -16.814 -2.594 -3.893
382 HD2 ARG 559 2HD ARG 559 -18.509 -3.675 -5.930
383 HD3 ARG 559 1HD ARG 559 -18.563 -4.718 -4.510
384 HE ARG 559 HE ARG 559 -19.692 -2.115 -4.765
385 HH11 ARG 559 1HH1 ARG 559 -18.225 -4.310 -2.482
386 HH12 ARG 559 2HH1 ARG 559 -19.018 -3.611 -1.111
387 HH21 ARG 559 1HH2 ARG 559 -20.736 -1.195 -2.962
388 HH22 ARG 559 2HH2 ARG 559 -20.443 -1.843 -1.382
389 H GLN 560 H GLN 560 -13.546 -0.761 -4.127
390 HA GLN 560 HA GLN 560 -15.079 1.532 -4.785
391 HB2 GLN 560 2HB GLN 560 -12.376 1.259 -3.466
392 HB3 GLN 560 1HB GLN 560 -13.229 2.784 -3.625
393 HG2 GLN 560 2HG GLN 560 -13.574 0.654 -1.689
394 HG3 GLN 560 1HG GLN 560 -14.085 2.338 -1.619
395 HE21 GLN 560 1HE2 GLN 560 -14.940 -0.868 -2.722
396 HE22 GLN 560 2HE2 GLN 560 -16.642 -0.607 -2.817
Start of MODEL 8
1 H1 ALA 507 1HT ALA 507 -9.657 -11.718 -0.142
2 H2 ALA 507 2HT ALA 507 -11.022 -11.667 -1.181
3 H3 ALA 507 3HT ALA 507 -11.039 -12.663 0.217
4 HA ALA 507 HA ALA 507 -11.218 -9.759 -0.010
5 HB1 ALA 507 2HB ALA 507 -13.175 -10.022 1.294
6 HB2 ALA 507 3HB ALA 507 -12.762 -11.686 1.707
7 HB3 ALA 507 1HB ALA 507 -13.230 -11.276 0.057
8 H GLN 508 H GLN 508 -11.504 -8.778 2.282
9 HA GLN 508 HA GLN 508 -10.073 -9.909 4.444
10 HB2 GLN 508 2HB GLN 508 -8.243 -8.066 4.363
11 HB3 GLN 508 1HB GLN 508 -8.039 -9.530 3.414
12 HG2 GLN 508 2HG GLN 508 -9.114 -8.188 1.500
13 HG3 GLN 508 1HG GLN 508 -8.745 -6.776 2.489
14 HE21 GLN 508 1HE2 GLN 508 -7.554 -6.577 0.262
15 HE22 GLN 508 2HE2 GLN 508 -5.895 -7.058 0.297
16 HA PRO 509 HA PRO 509 -12.486 -6.493 6.080
17 HB2 PRO 509 2HB PRO 509 -13.056 -7.544 8.402
18 HB3 PRO 509 1HB PRO 509 -13.586 -8.402 6.943
19 HG2 PRO 509 2HG PRO 509 -11.168 -8.895 8.644
20 HG3 PRO 509 1HG PRO 509 -12.364 -10.073 8.066
21 HD2 PRO 509 2HD PRO 509 -9.940 -9.543 6.830
22 HD3 PRO 509 1HD PRO 509 -11.352 -10.237 6.008
23 H LYS 510 H LYS 510 -11.082 -4.807 6.339
24 HA LYS 510 HA LYS 510 -9.880 -4.495 8.959
25 HB2 LYS 510 2HB LYS 510 -8.320 -4.656 6.431
26 HB3 LYS 510 1HB LYS 510 -7.814 -3.478 7.632
27 HG2 LYS 510 2HG LYS 510 -7.083 -5.058 9.077
28 HG3 LYS 510 1HG LYS 510 -8.314 -6.226 8.595
29 HD2 LYS 510 2HD LYS 510 -6.116 -6.996 7.913
30 HD3 LYS 510 1HD LYS 510 -7.093 -6.616 6.494
31 HE2 LYS 510 2HE LYS 510 -5.093 -5.618 5.947
32 HE3 LYS 510 1HE LYS 510 -5.957 -4.275 6.696
33 HZ1 LYS 510 3HZ LYS 510 -3.768 -5.911 7.817
34 HZ2 LYS 510 1HZ LYS 510 -4.805 -5.032 8.826
35 HZ3 LYS 510 2HZ LYS 510 -3.865 -4.228 7.671
36 H CYS 511 H CYS 511 -10.321 -3.076 5.794
37 HA CYS 511 HA CYS 511 -11.159 -1.106 5.102
38 HB2 CYS 511 2HB CYS 511 -12.232 -1.350 7.753
39 HB3 CYS 511 1HB CYS 511 -11.865 0.335 7.405
40 H ASN 512 H ASN 512 -8.490 -1.349 5.355
41 HA ASN 512 HA ASN 512 -7.751 1.398 6.034
42 HB2 ASN 512 2HB ASN 512 -6.939 -0.016 7.851
43 HB3 ASN 512 1HB ASN 512 -6.110 -1.053 6.697
44 HD21 ASN 512 1HD2 ASN 512 -6.146 2.377 6.165
45 HD22 ASN 512 2HD2 ASN 512 -4.501 2.663 6.600
46 HA PRO 513 HA PRO 513 -5.974 -0.161 1.921
47 HB2 PRO 513 2HB PRO 513 -7.889 0.173 0.121
48 HB3 PRO 513 1HB PRO 513 -7.899 -1.242 1.173
49 HG2 PRO 513 2HG PRO 513 -9.461 1.306 1.440
50 HG3 PRO 513 1HG PRO 513 -10.027 -0.365 1.592
51 HD2 PRO 513 2HD PRO 513 -9.362 1.219 3.730
52 HD3 PRO 513 1HD PRO 513 -9.276 -0.553 3.743
53 H ASN 514 H ASN 514 -8.149 1.943 0.323
54 HA ASN 514 HA ASN 514 -6.077 3.879 -0.054
55 HB2 ASN 514 2HB ASN 514 -7.361 4.710 -1.810
56 HB3 ASN 514 1HB ASN 514 -7.789 3.003 -1.779
57 HD21 ASN 514 1HD2 ASN 514 -9.835 2.390 -1.081
58 HD22 ASN 514 2HD2 ASN 514 -11.135 3.517 -0.936
59 H LEU 515 H LEU 515 -8.008 3.502 2.491
60 HA LEU 515 HA LEU 515 -8.673 6.336 2.787
61 HB2 LEU 515 2HB LEU 515 -9.453 3.952 4.471
62 HB3 LEU 515 1HB LEU 515 -9.975 5.603 4.753
63 HG LEU 515 HG LEU 515 -11.794 4.586 3.672
64 HD11 LEU 515 1HD1 LEU 515 -11.890 5.661 1.452
65 HD12 LEU 515 2HD1 LEU 515 -10.163 6.009 1.568
66 HD13 LEU 515 3HD1 LEU 515 -11.290 6.745 2.708
67 HD21 LEU 515 3HD2 LEU 515 -11.688 2.868 2.218
68 HD22 LEU 515 1HD2 LEU 515 -10.013 2.747 2.763
69 HD23 LEU 515 2HD2 LEU 515 -10.395 3.615 1.278
70 H HIS 516 H HIS 516 -6.011 5.658 2.773
71 HA HIS 516 HA HIS 516 -4.977 6.976 4.968
72 HB2 HIS 516 2HB HIS 516 -5.747 4.527 5.850
73 HB3 HIS 516 1HB HIS 516 -4.100 4.174 5.343
74 HD1 HIS 516 1HD HIS 516 -5.583 4.648 8.327
75 HD2 HIS 516 2HD HIS 516 -2.570 6.807 6.450
76 HE1 HIS 516 1HE HIS 516 -4.366 5.848 10.172
77 HE2 HIS 516 2HE HIS 516 -2.608 7.223 9.002
78 H TYR 517 H TYR 517 -4.553 4.614 2.440
79 HA TYR 517 HA TYR 517 -1.913 4.288 2.087
80 HB2 TYR 517 2HB TYR 517 -2.315 3.919 -0.212
81 HB3 TYR 517 1HB TYR 517 -3.832 3.535 0.588
82 HD1 TYR 517 2HD TYR 517 -5.328 5.861 0.876
83 HD2 TYR 517 1HD TYR 517 -2.595 4.948 -2.252
84 HE1 TYR 517 2HE TYR 517 -6.525 7.412 -0.611
85 HE2 TYR 517 1HE TYR 517 -3.780 6.498 -3.748
86 HH TYR 517 HH TYR 517 -6.426 7.417 -3.725
87 H TRP 518 H TRP 518 -3.673 7.242 1.277
88 HA TRP 518 HA TRP 518 -1.526 8.637 0.085
89 HB2 TRP 518 2HB TRP 518 -2.955 10.677 0.793
90 HB3 TRP 518 1HB TRP 518 -3.663 9.527 -0.337
91 HD1 TRP 518 HD TRP 518 -3.543 8.612 3.354
92 HE1 TRP 518 1HE TRP 518 -5.933 8.592 4.290
93 HE3 TRP 518 3HE TRP 518 -5.990 10.619 -0.653
94 HZ2 TRP 518 2HZ TRP 518 -8.528 9.339 3.443
95 HZ3 TRP 518 3HZ TRP 518 -8.428 10.936 -0.512
96 HH2 TRP 518 HH TRP 518 -9.669 10.306 1.494
97 H THR 519 H THR 519 0.216 8.084 1.577
98 HA THR 519 HA THR 519 0.729 10.159 3.456
99 HB THR 519 HB THR 519 -0.761 8.943 4.874
100 HG1 THR 519 1HG THR 519 1.871 8.190 5.598
101 HG21 THR 519 3HG2 THR 519 0.827 6.449 4.813
102 HG22 THR 519 1HG2 THR 519 -0.327 6.744 3.510
103 HG23 THR 519 2HG2 THR 519 -0.878 6.703 5.189
104 H THR 520 H THR 520 1.496 6.752 2.846
105 HA THR 520 HA THR 520 4.331 7.484 2.621
106 HB THR 520 HB THR 520 3.859 6.169 4.678
107 HG1 THR 520 1HG THR 520 5.403 4.991 2.630
108 HG21 THR 520 3HG2 THR 520 2.417 4.469 2.825
109 HG22 THR 520 1HG2 THR 520 2.338 4.557 4.584
110 HG23 THR 520 2HG2 THR 520 3.583 3.581 3.806
111 H GLN 521 H GLN 521 1.624 6.462 1.038
112 HA GLN 521 HA GLN 521 3.031 4.738 -0.818
113 HB2 GLN 521 2HB GLN 521 0.993 3.869 -1.445
114 HB3 GLN 521 1HB GLN 521 0.628 4.351 0.206
115 HG2 GLN 521 2HG GLN 521 -1.184 5.157 -0.937
116 HG3 GLN 521 1HG GLN 521 -0.140 6.573 -0.879
117 HE21 GLN 521 1HE2 GLN 521 -0.462 7.639 -2.684
118 HE22 GLN 521 2HE2 GLN 521 -0.428 6.976 -4.277
119 H ASP 522 H ASP 522 1.396 7.786 -0.598
120 HA ASP 522 HA ASP 522 1.901 8.438 -3.386
121 HB2 ASP 522 2HB ASP 522 -0.047 9.210 -1.538
122 HB3 ASP 522 1HB ASP 522 0.944 10.646 -1.769
123 H GLU 523 H GLU 523 3.717 8.308 -0.782
124 HA GLU 523 HA GLU 523 5.460 10.502 -1.627
125 HB2 GLU 523 2HB GLU 523 5.360 9.846 1.274
126 HB3 GLU 523 1HB GLU 523 5.693 11.382 0.483
127 HG2 GLU 523 2HG GLU 523 3.169 11.222 -0.195
128 HG3 GLU 523 1HG GLU 523 3.083 10.139 1.197
129 H GLY 524 H GLY 524 4.955 7.330 -0.421
130 HA2 GLY 524 2HA GLY 524 7.847 6.788 -0.552
131 HA3 GLY 524 1HA GLY 524 6.740 5.928 0.510
132 H ALA 525 H ALA 525 4.646 5.877 -1.602
133 HA ALA 525 HA ALA 525 5.764 3.646 -3.147
134 HB1 ALA 525 1HB ALA 525 3.535 2.790 -3.346
135 HB2 ALA 525 2HB ALA 525 2.849 4.275 -2.688
136 HB3 ALA 525 3HB ALA 525 3.800 3.211 -1.654
137 H ALA 526 H ALA 526 5.910 6.575 -3.690
138 HA ALA 526 HA ALA 526 5.017 6.458 -6.476
139 HB1 ALA 526 1HB ALA 526 4.327 8.582 -4.482
140 HB2 ALA 526 2HB ALA 526 3.259 7.694 -5.573
141 HB3 ALA 526 3HB ALA 526 4.357 8.916 -6.215
142 H ILE 527 H ILE 527 7.481 7.028 -4.333
143 HA ILE 527 HA ILE 527 9.071 8.359 -6.384
144 HB ILE 527 HB ILE 527 10.028 9.528 -4.069
145 HG12 ILE 527 2HG1 ILE 527 7.673 8.681 -3.181
146 HG13 ILE 527 1HG1 ILE 527 8.323 10.242 -2.699
147 HG21 ILE 527 1HG2 ILE 527 10.022 10.749 -6.051
148 HG22 ILE 527 2HG2 ILE 527 8.860 11.599 -5.031
149 HG23 ILE 527 3HG2 ILE 527 8.291 10.517 -6.302
150 HD11 ILE 527 3HD1 ILE 527 6.552 10.082 -5.087
151 HD12 ILE 527 1HD1 ILE 527 6.796 11.407 -3.949
152 HD13 ILE 527 2HD1 ILE 527 5.846 10.000 -3.474
153 H GLY 528 H GLY 528 8.927 6.581 -3.342
154 HA2 GLY 528 2HA GLY 528 11.713 6.105 -3.113
155 HA3 GLY 528 1HA GLY 528 10.444 5.204 -2.301
156 H LEU 529 H LEU 529 10.946 3.119 -2.636
157 HA LEU 529 HA LEU 529 11.397 2.297 -5.429
158 HB2 LEU 529 2HB LEU 529 12.815 1.563 -2.930
159 HB3 LEU 529 1HB LEU 529 12.608 0.313 -4.140
160 HG LEU 529 HG LEU 529 13.821 1.599 -5.774
161 HD11 LEU 529 1HD1 LEU 529 13.535 3.771 -3.756
162 HD12 LEU 529 2HD1 LEU 529 13.320 3.821 -5.505
163 HD13 LEU 529 3HD1 LEU 529 14.943 3.764 -4.818
164 HD21 LEU 529 3HD2 LEU 529 15.967 2.042 -4.260
165 HD22 LEU 529 1HD2 LEU 529 15.425 0.420 -4.685
166 HD23 LEU 529 2HD2 LEU 529 15.017 1.101 -3.112
167 H ALA 530 H ALA 530 9.034 2.061 -5.446
168 HA ALA 530 HA ALA 530 8.068 -0.382 -4.107
169 HB1 ALA 530 1HB ALA 530 6.068 1.098 -5.600
170 HB2 ALA 530 2HB ALA 530 6.885 2.115 -4.413
171 HB3 ALA 530 3HB ALA 530 6.083 0.630 -3.899
172 H TRP 531 H TRP 531 8.633 1.176 -7.129
173 HA TRP 531 HA TRP 531 7.398 -0.712 -8.868
174 HB2 TRP 531 2HB TRP 531 9.199 0.511 -10.459
175 HB3 TRP 531 1HB TRP 531 7.697 1.289 -9.968
176 HD1 TRP 531 HD TRP 531 11.311 1.048 -8.569
177 HE1 TRP 531 1HE TRP 531 11.905 3.321 -7.532
178 HE3 TRP 531 3HE TRP 531 6.900 3.483 -9.404
179 HZ2 TRP 531 2HZ TRP 531 10.664 5.843 -7.143
180 HZ3 TRP 531 3HZ TRP 531 6.679 5.820 -8.669
181 HH2 TRP 531 HH TRP 531 8.518 6.974 -7.558
182 H ILE 532 H ILE 532 10.287 -0.685 -7.076
183 HA ILE 532 HA ILE 532 11.526 -2.735 -8.777
184 HB ILE 532 HB ILE 532 12.968 -0.873 -8.498
185 HG12 ILE 532 2HG1 ILE 532 13.815 -2.996 -6.514
186 HG13 ILE 532 1HG1 ILE 532 14.103 -3.032 -8.254
187 HG21 ILE 532 1HG2 ILE 532 13.564 -0.499 -5.858
188 HG22 ILE 532 2HG2 ILE 532 11.830 -0.816 -5.812
189 HG23 ILE 532 3HG2 ILE 532 12.460 0.494 -6.810
190 HD11 ILE 532 3HD1 ILE 532 15.925 -1.794 -8.045
191 HD12 ILE 532 1HD1 ILE 532 15.766 -1.981 -6.297
192 HD13 ILE 532 2HD1 ILE 532 15.056 -0.578 -7.104
193 HA PRO 533 HA PRO 533 9.979 -5.277 -5.276
194 HB2 PRO 533 2HB PRO 533 10.559 -7.453 -7.179
195 HB3 PRO 533 1HB PRO 533 9.057 -7.073 -6.332
196 HG2 PRO 533 2HG PRO 533 9.329 -6.655 -8.967
197 HG3 PRO 533 1HG PRO 533 8.371 -5.569 -7.943
198 HD2 PRO 533 2HD PRO 533 11.142 -5.207 -9.023
199 HD3 PRO 533 1HD PRO 533 9.824 -4.027 -8.881
200 H TYR 534 H TYR 534 11.841 -4.888 -4.011
201 HA TYR 534 HA TYR 534 14.002 -6.842 -4.413
202 HB2 TYR 534 2HB TYR 534 14.857 -4.627 -4.868
203 HB3 TYR 534 1HB TYR 534 14.174 -4.011 -3.367
204 HD1 TYR 534 1HD TYR 534 15.772 -7.290 -3.430
205 HD2 TYR 534 2HD TYR 534 16.340 -3.148 -2.669
206 HE1 TYR 534 1HE TYR 534 17.884 -7.800 -2.270
207 HE2 TYR 534 2HE TYR 534 18.452 -3.641 -1.506
208 HH TYR 534 HH TYR 534 19.380 -6.839 -0.658
209 H PHE 535 H PHE 535 12.197 -4.928 -2.033
210 HA PHE 535 HA PHE 535 12.784 -7.014 -0.036
211 HB2 PHE 535 2HB PHE 535 12.135 -4.908 1.527
212 HB3 PHE 535 1HB PHE 535 13.784 -5.287 1.048
213 HD1 PHE 535 1HD PHE 535 14.620 -4.171 -1.144
214 HD2 PHE 535 2HD PHE 535 11.275 -2.809 1.106
215 HE1 PHE 535 1HE PHE 535 14.827 -1.953 -2.188
216 HE2 PHE 535 2HE PHE 535 11.477 -0.588 0.068
217 HZ PHE 535 HZ PHE 535 13.254 -0.156 -1.582
218 H GLY 536 H GLY 536 10.388 -4.716 -1.247
219 HA2 GLY 536 2HA GLY 536 8.098 -4.700 -1.125
220 HA3 GLY 536 1HA GLY 536 8.221 -6.447 -0.994
221 HA PRO 537 HA PRO 537 6.282 -5.888 2.981
222 HB2 PRO 537 2HB PRO 537 6.839 -8.375 3.993
223 HB3 PRO 537 1HB PRO 537 5.513 -8.036 2.877
224 HG2 PRO 537 2HG PRO 537 8.232 -9.147 2.308
225 HG3 PRO 537 1HG PRO 537 6.659 -9.641 1.652
226 HD2 PRO 537 2HD PRO 537 8.359 -8.107 0.246
227 HD3 PRO 537 1HD PRO 537 6.600 -7.889 0.139
228 H ALA 538 H ALA 538 9.602 -6.526 2.452
229 HA ALA 538 HA ALA 538 10.487 -6.661 5.144
230 HB1 ALA 538 1HB ALA 538 11.658 -6.896 2.615
231 HB2 ALA 538 2HB ALA 538 12.440 -7.110 4.180
232 HB3 ALA 538 3HB ALA 538 12.472 -5.535 3.386
233 H ALA 539 H ALA 539 9.598 -4.075 3.025
234 HA ALA 539 HA ALA 539 10.782 -2.045 4.749
235 HB1 ALA 539 1HB ALA 539 11.095 -1.399 2.567
236 HB2 ALA 539 2HB ALA 539 9.602 -0.547 2.968
237 HB3 ALA 539 3HB ALA 539 9.541 -2.050 2.045
238 H GLU 540 H GLU 540 7.950 -3.781 4.444
239 HA GLU 540 HA GLU 540 5.817 -2.203 4.778
240 HB2 GLU 540 2HB GLU 540 4.727 -4.018 5.767
241 HB3 GLU 540 1HB GLU 540 6.007 -4.730 4.791
242 HG2 GLU 540 2HG GLU 540 7.385 -4.813 6.916
243 HG3 GLU 540 1HG GLU 540 5.891 -4.440 7.777
244 H GLY 541 H GLY 541 5.656 -0.387 5.882
245 HA2 GLY 541 2HA GLY 541 4.989 0.625 7.921
246 HA3 GLY 541 1HA GLY 541 6.007 -0.509 8.786
247 H ILE 542 H ILE 542 7.968 0.377 6.394
248 HA ILE 542 HA ILE 542 9.110 2.530 8.022
249 HB ILE 542 HB ILE 542 10.549 1.144 5.789
250 HG12 ILE 542 2HG1 ILE 542 11.071 0.174 8.516
251 HG13 ILE 542 1HG1 ILE 542 9.487 -0.262 7.878
252 HG21 ILE 542 1HG2 ILE 542 12.450 2.063 6.654
253 HG22 ILE 542 2HG2 ILE 542 11.819 2.092 8.300
254 HG23 ILE 542 3HG2 ILE 542 11.284 3.297 7.128
255 HD11 ILE 542 3HD1 ILE 542 11.926 -1.519 7.395
256 HD12 ILE 542 1HD1 ILE 542 11.490 -0.700 5.895
257 HD13 ILE 542 2HD1 ILE 542 10.367 -1.842 6.634
258 H TYR 543 H TYR 543 8.000 1.787 4.768
259 HA TYR 543 HA TYR 543 7.477 4.484 4.186
260 HB2 TYR 543 2HB TYR 543 9.363 4.402 2.210
261 HB3 TYR 543 1HB TYR 543 9.547 5.241 3.746
262 HD1 TYR 543 2HD TYR 543 9.732 1.584 2.997
263 HD2 TYR 543 1HD TYR 543 11.801 5.080 4.265
264 HE1 TYR 543 2HE TYR 543 11.717 0.223 3.493
265 HE2 TYR 543 1HE TYR 543 13.791 3.727 4.764
266 HH TYR 543 HH TYR 543 14.733 1.456 3.924
267 H ILE 544 H ILE 544 8.998 2.689 1.622
268 HA ILE 544 HA ILE 544 6.642 2.759 0.052
269 HB ILE 544 HB ILE 544 9.046 1.086 -0.596
270 HG12 ILE 544 2HG1 ILE 544 9.460 3.577 -1.757
271 HG13 ILE 544 1HG1 ILE 544 8.925 3.963 -0.128
272 HG21 ILE 544 1HG2 ILE 544 6.763 2.258 -2.040
273 HG22 ILE 544 2HG2 ILE 544 7.680 0.786 -2.361
274 HG23 ILE 544 3HG2 ILE 544 8.322 2.351 -2.859
275 HD11 ILE 544 3HD1 ILE 544 11.012 1.883 -0.429
276 HD12 ILE 544 1HD1 ILE 544 10.780 3.084 0.842
277 HD13 ILE 544 2HD1 ILE 544 11.466 3.564 -0.711
278 H GLU 545 H GLU 545 8.303 0.153 1.768
279 HA GLU 545 HA GLU 545 7.670 -1.978 2.274
280 HB2 GLU 545 2HB GLU 545 4.814 -1.264 1.733
281 HB3 GLU 545 1HB GLU 545 5.487 -2.280 2.998
282 HG2 GLU 545 2HG GLU 545 6.277 -0.373 4.209
283 HG3 GLU 545 1HG GLU 545 5.851 0.703 2.881
284 H GLY 546 H GLY 546 5.629 -3.608 1.364
285 HA2 GLY 546 2HA GLY 546 6.319 -3.851 -1.494
286 HA3 GLY 546 1HA GLY 546 5.961 -5.210 -0.437
287 H LEU 547 H LEU 547 4.303 -2.122 -1.011
288 HA LEU 547 HA LEU 547 1.760 -3.466 -1.085
289 HB2 LEU 547 2HB LEU 547 0.918 -1.096 -1.563
290 HB3 LEU 547 1HB LEU 547 1.643 -1.419 0.000
291 HG LEU 547 HG LEU 547 3.744 -0.519 -1.645
292 HD11 LEU 547 1HD1 LEU 547 2.898 0.896 -3.121
293 HD12 LEU 547 2HD1 LEU 547 2.176 1.823 -1.806
294 HD13 LEU 547 3HD1 LEU 547 1.262 0.527 -2.578
295 HD21 LEU 547 3HD2 LEU 547 2.156 0.795 0.551
296 HD22 LEU 547 1HD2 LEU 547 3.667 1.432 -0.098
297 HD23 LEU 547 2HD2 LEU 547 3.646 -0.133 0.713
298 H MET 548 H MET 548 3.055 -1.071 -3.379
299 HA MET 548 HA MET 548 3.103 -0.973 -5.644
300 HB2 MET 548 2HB MET 548 2.612 -3.936 -5.407
301 HB3 MET 548 1HB MET 548 2.854 -3.115 -6.939
302 HG2 MET 548 2HG MET 548 5.067 -2.874 -6.620
303 HG3 MET 548 1HG MET 548 4.901 -2.616 -4.885
304 HE1 MET 548 3HE MET 548 3.179 -5.766 -4.286
305 HE2 MET 548 1HE MET 548 3.904 -4.405 -3.432
306 HE3 MET 548 2HE MET 548 4.651 -5.999 -3.341
307 H HIS 549 H HIS 549 0.337 -2.209 -4.018
308 HA HIS 549 HA HIS 549 -1.395 -1.917 -6.328
309 HB2 HIS 549 2HB HIS 549 -3.139 -2.353 -4.331
310 HB3 HIS 549 1HB HIS 549 -2.277 -3.657 -5.141
311 HD1 HIS 549 1HD HIS 549 -1.145 -1.343 -2.343
312 HD2 HIS 549 2HD HIS 549 -1.609 -5.388 -3.169
313 HE1 HIS 549 1HE HIS 549 -0.183 -2.545 -0.362
314 HE2 HIS 549 2HE HIS 549 -0.593 -4.989 -0.823
315 H ASN 550 H ASN 550 -0.314 -0.088 -3.628
316 HA ASN 550 HA ASN 550 -0.646 2.083 -3.028
317 HB2 ASN 550 2HB ASN 550 -2.391 2.227 -5.499
318 HB3 ASN 550 1HB ASN 550 -1.839 3.604 -4.554
319 HD21 ASN 550 1HD2 ASN 550 -0.881 1.051 -6.727
320 HD22 ASN 550 2HD2 ASN 550 0.638 1.737 -7.177
321 H GLN 551 H GLN 551 -3.061 -0.227 -3.108
322 HA GLN 551 HA GLN 551 -4.904 -0.551 -1.858
323 HB2 GLN 551 2HB GLN 551 -4.326 2.084 -0.531
324 HB3 GLN 551 1HB GLN 551 -5.263 0.737 0.099
325 HG2 GLN 551 2HG GLN 551 -3.141 -0.624 -0.043
326 HG3 GLN 551 1HG GLN 551 -2.301 0.906 -0.292
327 HE21 GLN 551 1HE2 GLN 551 -3.130 -1.301 1.966
328 HE22 GLN 551 2HE2 GLN 551 -3.100 -0.311 3.382
329 H ASP 552 H ASP 552 -6.807 -0.450 -2.659
330 HA ASP 552 HA ASP 552 -8.122 2.073 -3.215
331 HB2 ASP 552 2HB ASP 552 -6.743 1.035 -5.283
332 HB3 ASP 552 1HB ASP 552 -8.268 0.178 -5.487
333 H GLY 553 H GLY 553 -9.014 0.659 -1.239
334 HA2 GLY 553 2HA GLY 553 -10.993 -0.220 -0.447
335 HA3 GLY 553 1HA GLY 553 -11.592 -0.242 -2.099
336 H LEU 554 H LEU 554 -8.878 -1.871 -0.470
337 HA LEU 554 HA LEU 554 -9.816 -4.400 -1.629
338 HB2 LEU 554 2HB LEU 554 -7.148 -3.958 -0.322
339 HB3 LEU 554 1HB LEU 554 -7.607 -5.203 -1.469
340 HG LEU 554 HG LEU 554 -7.086 -2.290 -2.027
341 HD11 LEU 554 1HD1 LEU 554 -5.874 -4.747 -3.268
342 HD12 LEU 554 2HD1 LEU 554 -5.182 -3.919 -1.873
343 HD13 LEU 554 3HD1 LEU 554 -5.331 -3.075 -3.414
344 HD21 LEU 554 3HD2 LEU 554 -7.659 -2.836 -4.386
345 HD22 LEU 554 1HD2 LEU 554 -9.043 -2.851 -3.293
346 HD23 LEU 554 2HD2 LEU 554 -8.321 -4.371 -3.823
347 H ILE 555 H ILE 555 -9.089 -2.782 1.371
348 HA ILE 555 HA ILE 555 -9.855 -5.203 2.853
349 HB ILE 555 HB ILE 555 -8.884 -3.517 4.779
350 HG12 ILE 555 2HG1 ILE 555 -8.113 -1.994 2.885
351 HG13 ILE 555 1HG1 ILE 555 -6.888 -2.463 4.057
352 HG21 ILE 555 1HG2 ILE 555 -7.332 -5.557 3.198
353 HG22 ILE 555 2HG2 ILE 555 -8.424 -5.899 4.538
354 HG23 ILE 555 3HG2 ILE 555 -6.941 -4.987 4.820
355 HD11 ILE 555 3HD1 ILE 555 -6.535 -2.558 1.397
356 HD12 ILE 555 1HD1 ILE 555 -7.117 -4.196 1.690
357 HD13 ILE 555 2HD1 ILE 555 -5.689 -3.604 2.536
358 H CYS 556 H CYS 556 -10.738 -1.965 2.108
359 HA CYS 556 HA CYS 556 -12.788 -1.929 4.205
360 HB2 CYS 556 2HB CYS 556 -11.163 0.080 3.512
361 HB3 CYS 556 1HB CYS 556 -12.426 0.361 2.328
362 H GLY 557 H GLY 557 -12.947 -3.711 1.985
363 HA2 GLY 557 2HA GLY 557 -15.495 -3.798 1.267
364 HA3 GLY 557 1HA GLY 557 -14.884 -2.569 0.170
365 H LEU 558 H LEU 558 -15.852 -5.417 -0.108
366 HA LEU 558 HA LEU 558 -13.518 -6.745 -1.211
367 HB2 LEU 558 2HB LEU 558 -16.123 -8.009 -1.646
368 HB3 LEU 558 1HB LEU 558 -14.647 -8.673 -0.975
369 HG LEU 558 HG LEU 558 -16.520 -6.910 0.600
370 HD11 LEU 558 1HD1 LEU 558 -17.435 -8.911 1.577
371 HD12 LEU 558 2HD1 LEU 558 -16.400 -9.916 0.561
372 HD13 LEU 558 3HD1 LEU 558 -17.672 -8.935 -0.172
373 HD21 LEU 558 3HD2 LEU 558 -13.931 -7.611 1.114
374 HD22 LEU 558 1HD2 LEU 558 -14.828 -8.880 1.949
375 HD23 LEU 558 2HD2 LEU 558 -15.129 -7.185 2.337
376 H ARG 559 H ARG 559 -16.134 -4.810 -2.305
377 HA ARG 559 HA ARG 559 -15.382 -5.412 -5.083
378 HB2 ARG 559 2HB ARG 559 -18.020 -4.616 -5.262
379 HB3 ARG 559 1HB ARG 559 -17.429 -6.267 -5.377
380 HG2 ARG 559 2HG ARG 559 -17.989 -6.750 -3.158
381 HG3 ARG 559 1HG ARG 559 -18.133 -5.042 -2.733
382 HD2 ARG 559 2HD ARG 559 -20.007 -5.073 -4.564
383 HD3 ARG 559 1HD ARG 559 -20.028 -6.801 -4.212
384 HE ARG 559 HE ARG 559 -20.178 -5.154 -1.866
385 HH11 ARG 559 1HH1 ARG 559 -22.018 -6.656 -4.422
386 HH12 ARG 559 2HH1 ARG 559 -23.492 -6.685 -3.514
387 HH21 ARG 559 1HH2 ARG 559 -22.119 -5.189 -0.671
388 HH22 ARG 559 2HH2 ARG 559 -23.551 -5.851 -1.385
389 H GLN 560 H GLN 560 -14.474 -3.286 -3.320
390 HA GLN 560 HA GLN 560 -15.781 -0.848 -3.903
391 HB2 GLN 560 2HB GLN 560 -12.937 -1.442 -3.072
392 HB3 GLN 560 1HB GLN 560 -13.566 0.189 -3.250
393 HG2 GLN 560 2HG GLN 560 -13.844 -1.683 -1.061
394 HG3 GLN 560 1HG GLN 560 -14.091 0.062 -1.093
395 HE21 GLN 560 1HE2 GLN 560 -15.593 -3.052 -1.691
396 HE22 GLN 560 2HE2 GLN 560 -17.226 -2.522 -1.507
Start of MODEL 9
1 H1 ALA 507 1HT ALA 507 -9.103 -12.020 -1.041
2 H2 ALA 507 2HT ALA 507 -8.242 -10.574 -1.381
3 H3 ALA 507 3HT ALA 507 -9.631 -10.984 -2.300
4 HA ALA 507 HA ALA 507 -10.208 -9.307 -0.793
5 HB1 ALA 507 2HB ALA 507 -11.863 -10.645 0.645
6 HB2 ALA 507 3HB ALA 507 -11.223 -12.062 -0.187
7 HB3 ALA 507 1HB ALA 507 -11.993 -10.771 -1.109
8 H GLN 508 H GLN 508 -10.672 -8.798 1.536
9 HA GLN 508 HA GLN 508 -9.354 -10.040 3.662
10 HB2 GLN 508 2HB GLN 508 -7.584 -8.168 3.972
11 HB3 GLN 508 1HB GLN 508 -7.236 -9.499 2.877
12 HG2 GLN 508 2HG GLN 508 -8.204 -7.921 1.059
13 HG3 GLN 508 1HG GLN 508 -7.898 -6.656 2.247
14 HE21 GLN 508 1HE2 GLN 508 -5.576 -7.675 3.396
15 HE22 GLN 508 2HE2 GLN 508 -4.303 -7.605 2.229
16 HA PRO 509 HA PRO 509 -12.022 -6.872 5.384
17 HB2 PRO 509 2HB PRO 509 -12.685 -8.107 7.593
18 HB3 PRO 509 1HB PRO 509 -13.089 -8.874 6.046
19 HG2 PRO 509 2HG PRO 509 -10.776 -9.414 7.872
20 HG3 PRO 509 1HG PRO 509 -11.874 -10.580 7.107
21 HD2 PRO 509 2HD PRO 509 -9.387 -9.851 6.109
22 HD3 PRO 509 1HD PRO 509 -10.700 -10.541 5.134
23 H LYS 510 H LYS 510 -11.331 -5.076 6.295
24 HA LYS 510 HA LYS 510 -10.214 -4.847 8.841
25 HB2 LYS 510 2HB LYS 510 -8.330 -4.955 6.565
26 HB3 LYS 510 1HB LYS 510 -8.053 -3.674 7.738
27 HG2 LYS 510 2HG LYS 510 -7.367 -5.098 9.325
28 HG3 LYS 510 1HG LYS 510 -8.549 -6.325 8.873
29 HD2 LYS 510 2HD LYS 510 -6.510 -5.918 6.835
30 HD3 LYS 510 1HD LYS 510 -5.833 -6.424 8.383
31 HE2 LYS 510 2HE LYS 510 -7.560 -8.267 8.392
32 HE3 LYS 510 1HE LYS 510 -7.908 -7.831 6.719
33 HZ1 LYS 510 3HZ LYS 510 -5.449 -8.999 7.849
34 HZ2 LYS 510 1HZ LYS 510 -5.394 -8.135 6.395
35 HZ3 LYS 510 2HZ LYS 510 -6.360 -9.518 6.522
36 H CYS 511 H CYS 511 -10.500 -3.427 5.673
37 HA CYS 511 HA CYS 511 -11.365 -1.483 4.934
38 HB2 CYS 511 2HB CYS 511 -12.507 -1.697 7.599
39 HB3 CYS 511 1HB CYS 511 -12.287 -0.024 7.101
40 H ASN 512 H ASN 512 -8.704 -1.660 5.363
41 HA ASN 512 HA ASN 512 -8.066 1.110 6.068
42 HB2 ASN 512 2HB ASN 512 -7.292 -0.809 7.726
43 HB3 ASN 512 1HB ASN 512 -6.001 -0.993 6.541
44 HD21 ASN 512 1HD2 ASN 512 -5.805 1.745 5.802
45 HD22 ASN 512 2HD2 ASN 512 -5.116 2.595 7.133
46 HA PRO 513 HA PRO 513 -6.229 -0.433 1.977
47 HB2 PRO 513 2HB PRO 513 -8.102 0.064 0.160
48 HB3 PRO 513 1HB PRO 513 -8.183 -1.392 1.156
49 HG2 PRO 513 2HG PRO 513 -9.630 1.216 1.523
50 HG3 PRO 513 1HG PRO 513 -10.282 -0.430 1.573
51 HD2 PRO 513 2HD PRO 513 -9.606 0.972 3.810
52 HD3 PRO 513 1HD PRO 513 -9.537 -0.800 3.709
53 H ASN 514 H ASN 514 -8.296 1.875 0.479
54 HA ASN 514 HA ASN 514 -6.091 3.681 0.178
55 HB2 ASN 514 2HB ASN 514 -7.389 4.768 -1.482
56 HB3 ASN 514 1HB ASN 514 -7.711 3.045 -1.651
57 HD21 ASN 514 1HD2 ASN 514 -9.739 2.747 -2.197
58 HD22 ASN 514 2HD2 ASN 514 -11.108 3.573 -1.546
59 H LEU 515 H LEU 515 -7.996 3.332 2.723
60 HA LEU 515 HA LEU 515 -8.531 6.185 3.107
61 HB2 LEU 515 2HB LEU 515 -9.407 3.787 4.720
62 HB3 LEU 515 1HB LEU 515 -9.832 5.452 5.079
63 HG LEU 515 HG LEU 515 -11.718 4.562 3.988
64 HD11 LEU 515 1HD1 LEU 515 -10.087 5.995 1.891
65 HD12 LEU 515 2HD1 LEU 515 -11.071 6.758 3.141
66 HD13 LEU 515 3HD1 LEU 515 -11.841 5.794 1.879
67 HD21 LEU 515 3HD2 LEU 515 -10.342 3.665 1.537
68 HD22 LEU 515 1HD2 LEU 515 -11.719 2.963 2.389
69 HD23 LEU 515 2HD2 LEU 515 -10.079 2.681 2.976
70 H HIS 516 H HIS 516 -5.916 5.575 3.047
71 HA HIS 516 HA HIS 516 -4.823 6.738 5.268
72 HB2 HIS 516 2HB HIS 516 -5.492 3.983 5.786
73 HB3 HIS 516 1HB HIS 516 -3.746 4.194 5.858
74 HD1 HIS 516 1HD HIS 516 -6.210 3.924 8.157
75 HD2 HIS 516 2HD HIS 516 -3.525 7.008 7.415
76 HE1 HIS 516 1HE HIS 516 -6.077 5.231 10.301
77 HE2 HIS 516 2HE HIS 516 -4.376 7.036 9.858
78 H TYR 517 H TYR 517 -4.473 4.329 2.771
79 HA TYR 517 HA TYR 517 -1.845 3.960 2.375
80 HB2 TYR 517 2HB TYR 517 -2.292 3.557 0.096
81 HB3 TYR 517 1HB TYR 517 -3.821 3.247 0.903
82 HD1 TYR 517 2HD TYR 517 -5.257 5.587 1.144
83 HD2 TYR 517 1HD TYR 517 -2.486 4.629 -1.936
84 HE1 TYR 517 2HE TYR 517 -6.390 7.173 -0.356
85 HE2 TYR 517 1HE TYR 517 -3.606 6.214 -3.444
86 HH TYR 517 HH TYR 517 -5.571 8.571 -2.507
87 H TRP 518 H TRP 518 -3.573 6.933 1.611
88 HA TRP 518 HA TRP 518 -1.429 8.289 0.350
89 HB2 TRP 518 2HB TRP 518 -2.840 10.347 1.005
90 HB3 TRP 518 1HB TRP 518 -3.587 9.159 -0.062
91 HD1 TRP 518 HD TRP 518 -3.374 8.362 3.649
92 HE1 TRP 518 1HE TRP 518 -5.733 8.403 4.656
93 HE3 TRP 518 3HE TRP 518 -5.914 10.284 -0.342
94 HZ2 TRP 518 2HZ TRP 518 -8.342 9.160 3.865
95 HZ3 TRP 518 3HZ TRP 518 -8.341 10.638 -0.138
96 HH2 TRP 518 HH TRP 518 -9.529 10.086 1.924
97 H THR 519 H THR 519 0.315 7.753 1.840
98 HA THR 519 HA THR 519 0.799 9.866 3.706
99 HB THR 519 HB THR 519 -0.549 8.602 5.183
100 HG1 THR 519 1HG THR 519 1.494 9.241 6.055
101 HG21 THR 519 3HG2 THR 519 0.982 6.098 5.041
102 HG22 THR 519 1HG2 THR 519 -0.119 6.432 3.704
103 HG23 THR 519 2HG2 THR 519 -0.732 6.375 5.358
104 H THR 520 H THR 520 1.726 6.506 3.073
105 HA THR 520 HA THR 520 4.500 7.408 2.718
106 HB THR 520 HB THR 520 4.150 6.059 4.804
107 HG1 THR 520 1HG THR 520 6.136 6.059 3.510
108 HG21 THR 520 3HG2 THR 520 4.161 3.462 3.866
109 HG22 THR 520 1HG2 THR 520 2.858 4.240 2.967
110 HG23 THR 520 2HG2 THR 520 2.851 4.268 4.730
111 H GLN 521 H GLN 521 1.785 6.113 1.294
112 HA GLN 521 HA GLN 521 3.260 4.536 -0.638
113 HB2 GLN 521 2HB GLN 521 1.320 3.425 -1.106
114 HB3 GLN 521 1HB GLN 521 0.919 3.979 0.513
115 HG2 GLN 521 2HG GLN 521 -0.973 4.484 -0.701
116 HG3 GLN 521 1HG GLN 521 -0.110 6.017 -0.666
117 HE21 GLN 521 1HE2 GLN 521 -0.569 6.984 -2.505
118 HE22 GLN 521 2HE2 GLN 521 -0.419 6.293 -4.079
119 H ASP 522 H ASP 522 1.322 7.397 -0.359
120 HA ASP 522 HA ASP 522 1.623 8.065 -3.168
121 HB2 ASP 522 2HB ASP 522 -0.353 8.583 -1.347
122 HB3 ASP 522 1HB ASP 522 0.517 10.112 -1.376
123 H GLU 523 H GLU 523 3.602 8.158 -0.687
124 HA GLU 523 HA GLU 523 5.045 10.512 -1.656
125 HB2 GLU 523 2HB GLU 523 5.161 9.901 1.257
126 HB3 GLU 523 1HB GLU 523 5.328 11.445 0.429
127 HG2 GLU 523 2HG GLU 523 2.796 11.052 -0.126
128 HG3 GLU 523 1HG GLU 523 2.871 10.008 1.294
129 H GLY 524 H GLY 524 4.955 7.342 -0.342
130 HA2 GLY 524 2HA GLY 524 7.876 7.101 -0.640
131 HA3 GLY 524 1HA GLY 524 6.923 6.146 0.490
132 H ALA 525 H ALA 525 4.742 5.853 -1.507
133 HA ALA 525 HA ALA 525 5.996 3.733 -3.106
134 HB1 ALA 525 1HB ALA 525 4.196 3.119 -1.460
135 HB2 ALA 525 2HB ALA 525 3.896 2.608 -3.121
136 HB3 ALA 525 3HB ALA 525 3.065 4.021 -2.467
137 H ALA 526 H ALA 526 5.864 6.612 -3.740
138 HA ALA 526 HA ALA 526 4.717 6.342 -6.416
139 HB1 ALA 526 1HB ALA 526 3.973 8.460 -4.429
140 HB2 ALA 526 2HB ALA 526 2.912 7.364 -5.318
141 HB3 ALA 526 3HB ALA 526 3.744 8.667 -6.166
142 H ILE 527 H ILE 527 7.287 7.289 -4.523
143 HA ILE 527 HA ILE 527 8.382 8.892 -6.723
144 HB ILE 527 HB ILE 527 9.601 9.830 -4.357
145 HG12 ILE 527 2HG1 ILE 527 7.390 8.866 -3.358
146 HG13 ILE 527 1HG1 ILE 527 7.916 10.478 -2.887
147 HG21 ILE 527 1HG2 ILE 527 9.333 11.088 -6.412
148 HG22 ILE 527 2HG2 ILE 527 8.652 11.978 -5.051
149 HG23 ILE 527 3HG2 ILE 527 7.586 11.138 -6.177
150 HD11 ILE 527 3HD1 ILE 527 5.436 10.035 -3.507
151 HD12 ILE 527 1HD1 ILE 527 6.022 10.151 -5.167
152 HD13 ILE 527 2HD1 ILE 527 6.230 11.509 -4.061
153 H GLY 528 H GLY 528 9.305 7.352 -3.632
154 HA2 GLY 528 2HA GLY 528 11.982 6.852 -4.516
155 HA3 GLY 528 1HA GLY 528 11.237 6.229 -3.052
156 H LEU 529 H LEU 529 9.853 4.339 -3.246
157 HA LEU 529 HA LEU 529 10.299 2.770 -5.684
158 HB2 LEU 529 2HB LEU 529 11.017 1.993 -2.890
159 HB3 LEU 529 1HB LEU 529 10.585 0.763 -4.057
160 HG LEU 529 HG LEU 529 12.425 1.658 -5.531
161 HD11 LEU 529 1HD1 LEU 529 12.568 3.572 -3.354
162 HD12 LEU 529 2HD1 LEU 529 13.259 3.645 -4.974
163 HD13 LEU 529 3HD1 LEU 529 14.124 2.810 -3.684
164 HD21 LEU 529 3HD2 LEU 529 12.970 -0.335 -4.493
165 HD22 LEU 529 1HD2 LEU 529 12.882 0.364 -2.875
166 HD23 LEU 529 2HD2 LEU 529 14.251 0.735 -3.923
167 H ALA 530 H ALA 530 8.991 0.653 -5.501
168 HA ALA 530 HA ALA 530 6.894 -0.146 -4.184
169 HB1 ALA 530 1HB ALA 530 6.158 2.537 -5.274
170 HB2 ALA 530 2HB ALA 530 5.765 1.814 -3.715
171 HB3 ALA 530 3HB ALA 530 4.929 1.278 -5.171
172 H TRP 531 H TRP 531 8.097 0.905 -7.170
173 HA TRP 531 HA TRP 531 6.289 -0.655 -8.824
174 HB2 TRP 531 2HB TRP 531 8.259 0.232 -10.503
175 HB3 TRP 531 1HB TRP 531 6.820 1.163 -10.096
176 HD1 TRP 531 HD TRP 531 10.461 0.769 -8.859
177 HE1 TRP 531 1HE TRP 531 11.208 3.005 -7.850
178 HE3 TRP 531 3HE TRP 531 6.087 3.369 -9.333
179 HZ2 TRP 531 2HZ TRP 531 10.098 5.559 -7.340
180 HZ3 TRP 531 3HZ TRP 531 6.011 5.703 -8.558
181 HH2 TRP 531 HH TRP 531 7.973 6.776 -7.577
182 H ILE 532 H ILE 532 8.577 -1.594 -6.830
183 HA ILE 532 HA ILE 532 9.491 -3.736 -8.605
184 HB ILE 532 HB ILE 532 11.764 -3.632 -7.822
185 HG12 ILE 532 2HG1 ILE 532 11.332 -2.821 -5.524
186 HG13 ILE 532 1HG1 ILE 532 12.577 -1.878 -6.330
187 HG21 ILE 532 1HG2 ILE 532 11.535 -0.776 -8.370
188 HG22 ILE 532 2HG2 ILE 532 10.610 -1.783 -9.488
189 HG23 ILE 532 3HG2 ILE 532 12.342 -2.049 -9.289
190 HD11 ILE 532 3HD1 ILE 532 10.307 -0.487 -6.939
191 HD12 ILE 532 1HD1 ILE 532 11.434 -0.107 -5.641
192 HD13 ILE 532 2HD1 ILE 532 9.988 -1.055 -5.300
193 HA PRO 533 HA PRO 533 8.131 -5.831 -4.848
194 HB2 PRO 533 2HB PRO 533 7.446 -8.144 -5.976
195 HB3 PRO 533 1HB PRO 533 6.477 -6.689 -6.238
196 HG2 PRO 533 2HG PRO 533 8.473 -7.987 -8.042
197 HG3 PRO 533 1HG PRO 533 6.918 -7.239 -8.445
198 HD2 PRO 533 2HD PRO 533 9.406 -6.018 -8.698
199 HD3 PRO 533 1HD PRO 533 7.850 -5.170 -8.635
200 H TYR 534 H TYR 534 9.987 -6.187 -3.636
201 HA TYR 534 HA TYR 534 11.202 -8.743 -3.866
202 HB2 TYR 534 2HB TYR 534 13.356 -8.258 -4.577
203 HB3 TYR 534 1HB TYR 534 12.351 -7.304 -5.656
204 HD1 TYR 534 1HD TYR 534 14.618 -7.152 -2.751
205 HD2 TYR 534 2HD TYR 534 12.505 -4.916 -5.691
206 HE1 TYR 534 1HE TYR 534 15.909 -5.149 -2.149
207 HE2 TYR 534 2HE TYR 534 13.791 -2.908 -5.097
208 HH TYR 534 HH TYR 534 15.968 -2.359 -4.050
209 H PHE 535 H PHE 535 11.847 -5.472 -2.570
210 HA PHE 535 HA PHE 535 13.175 -6.343 -0.260
211 HB2 PHE 535 2HB PHE 535 12.319 -4.077 0.682
212 HB3 PHE 535 1HB PHE 535 13.435 -4.067 -0.678
213 HD1 PHE 535 1HD PHE 535 9.802 -3.956 0.112
214 HD2 PHE 535 2HD PHE 535 12.910 -2.885 -2.586
215 HE1 PHE 535 1HE PHE 535 8.206 -2.605 -1.185
216 HE2 PHE 535 2HE PHE 535 11.325 -1.537 -3.893
217 HZ PHE 535 HZ PHE 535 8.967 -1.391 -3.188
218 H GLY 536 H GLY 536 9.881 -6.500 -1.138
219 HA2 GLY 536 2HA GLY 536 7.942 -6.930 0.060
220 HA3 GLY 536 1HA GLY 536 8.964 -8.171 0.757
221 HA PRO 537 HA PRO 537 7.772 -5.990 4.516
222 HB2 PRO 537 2HB PRO 537 8.673 -7.835 6.259
223 HB3 PRO 537 1HB PRO 537 7.188 -8.066 5.329
224 HG2 PRO 537 2HG PRO 537 9.930 -9.157 4.821
225 HG3 PRO 537 1HG PRO 537 8.363 -9.980 4.719
226 HD2 PRO 537 2HD PRO 537 9.686 -9.028 2.539
227 HD3 PRO 537 1HD PRO 537 7.917 -9.142 2.628
228 H ALA 538 H ALA 538 10.826 -6.513 3.254
229 HA ALA 538 HA ALA 538 12.485 -5.903 5.457
230 HB1 ALA 538 1HB ALA 538 14.240 -5.828 3.950
231 HB2 ALA 538 2HB ALA 538 13.233 -5.192 2.650
232 HB3 ALA 538 3HB ALA 538 13.089 -6.883 3.130
233 H ALA 539 H ALA 539 10.506 -3.978 3.386
234 HA ALA 539 HA ALA 539 11.797 -1.503 4.263
235 HB1 ALA 539 1HB ALA 539 9.860 -0.648 2.638
236 HB2 ALA 539 2HB ALA 539 10.072 -2.277 2.000
237 HB3 ALA 539 3HB ALA 539 11.442 -1.165 2.055
238 H GLU 540 H GLU 540 9.080 -3.497 4.820
239 HA GLU 540 HA GLU 540 7.008 -1.958 5.580
240 HB2 GLU 540 2HB GLU 540 8.065 -4.535 6.363
241 HB3 GLU 540 1HB GLU 540 7.143 -3.782 7.657
242 HG2 GLU 540 2HG GLU 540 6.080 -4.015 4.863
243 HG3 GLU 540 1HG GLU 540 5.899 -5.307 6.049
244 H GLY 541 H GLY 541 7.123 -0.029 6.560
245 HA2 GLY 541 2HA GLY 541 6.941 1.007 8.726
246 HA3 GLY 541 1HA GLY 541 8.294 0.028 9.257
247 H ILE 542 H ILE 542 9.371 0.894 6.375
248 HA ILE 542 HA ILE 542 10.668 3.286 7.470
249 HB ILE 542 HB ILE 542 11.546 1.776 5.022
250 HG12 ILE 542 2HG1 ILE 542 13.090 1.287 7.449
251 HG13 ILE 542 1HG1 ILE 542 11.436 0.689 7.571
252 HG21 ILE 542 1HG2 ILE 542 13.767 2.766 5.771
253 HG22 ILE 542 2HG2 ILE 542 12.819 3.784 6.855
254 HG23 ILE 542 3HG2 ILE 542 12.575 3.884 5.111
255 HD11 ILE 542 3HD1 ILE 542 12.721 0.033 5.048
256 HD12 ILE 542 1HD1 ILE 542 11.823 -0.986 6.173
257 HD13 ILE 542 2HD1 ILE 542 13.531 -0.648 6.461
258 H TYR 543 H TYR 543 8.782 2.144 4.738
259 HA TYR 543 HA TYR 543 7.646 4.584 4.149
260 HB2 TYR 543 2HB TYR 543 9.017 4.905 1.864
261 HB3 TYR 543 1HB TYR 543 9.441 5.732 3.357
262 HD1 TYR 543 1HD TYR 543 10.082 2.138 2.746
263 HD2 TYR 543 2HD TYR 543 11.748 6.053 2.864
264 HE1 TYR 543 1HE TYR 543 12.342 1.175 2.632
265 HE2 TYR 543 2HE TYR 543 14.010 5.099 2.751
266 HH TYR 543 HH TYR 543 14.628 1.770 3.189
267 H ILE 544 H ILE 544 9.016 3.054 1.342
268 HA ILE 544 HA ILE 544 6.633 2.537 0.083
269 HB ILE 544 HB ILE 544 9.075 0.816 -0.297
270 HG12 ILE 544 2HG1 ILE 544 9.201 2.901 -2.137
271 HG13 ILE 544 1HG1 ILE 544 8.760 3.691 -0.627
272 HG21 ILE 544 1HG2 ILE 544 6.978 1.780 -2.231
273 HG22 ILE 544 2HG2 ILE 544 7.040 0.173 -1.512
274 HG23 ILE 544 3HG2 ILE 544 8.324 0.702 -2.599
275 HD11 ILE 544 3HD1 ILE 544 10.759 3.288 0.324
276 HD12 ILE 544 1HD1 ILE 544 11.281 3.228 -1.359
277 HD13 ILE 544 2HD1 ILE 544 10.957 1.732 -0.483
278 H GLU 545 H GLU 545 8.673 -0.102 1.314
279 HA GLU 545 HA GLU 545 8.180 -2.069 2.339
280 HB2 GLU 545 2HB GLU 545 5.375 -1.185 2.882
281 HB3 GLU 545 1HB GLU 545 6.444 -2.173 3.866
282 HG2 GLU 545 2HG GLU 545 7.513 -0.362 4.778
283 HG3 GLU 545 1HG GLU 545 7.177 0.674 3.399
284 H GLY 546 H GLY 546 6.674 -3.988 2.217
285 HA2 GLY 546 2HA GLY 546 6.130 -4.542 -0.523
286 HA3 GLY 546 1HA GLY 546 5.769 -5.594 0.839
287 H LEU 547 H LEU 547 4.644 -2.569 -0.645
288 HA LEU 547 HA LEU 547 1.883 -3.523 -0.390
289 HB2 LEU 547 2HB LEU 547 1.206 -1.236 0.353
290 HB3 LEU 547 1HB LEU 547 2.152 -2.129 1.533
291 HG LEU 547 HG LEU 547 4.176 -0.861 0.602
292 HD11 LEU 547 1HD1 LEU 547 3.409 1.455 -0.232
293 HD12 LEU 547 2HD1 LEU 547 1.913 0.625 -0.669
294 HD13 LEU 547 3HD1 LEU 547 3.445 0.107 -1.371
295 HD21 LEU 547 3HD2 LEU 547 2.220 -0.197 2.570
296 HD22 LEU 547 1HD2 LEU 547 2.832 1.289 1.842
297 HD23 LEU 547 2HD2 LEU 547 3.951 0.137 2.569
298 H MET 548 H MET 548 3.494 -3.481 -2.698
299 HA MET 548 HA MET 548 3.136 -1.139 -4.241
300 HB2 MET 548 2HB MET 548 3.371 -3.850 -5.469
301 HB3 MET 548 1HB MET 548 4.013 -2.318 -6.033
302 HG2 MET 548 2HG MET 548 5.960 -2.794 -5.102
303 HG3 MET 548 1HG MET 548 5.189 -2.839 -3.518
304 HE1 MET 548 3HE MET 548 5.088 -4.441 -2.146
305 HE2 MET 548 1HE MET 548 5.712 -6.083 -2.297
306 HE3 MET 548 2HE MET 548 4.026 -5.742 -2.687
307 H HIS 549 H HIS 549 0.674 -1.880 -3.030
308 HA HIS 549 HA HIS 549 -0.954 -2.487 -5.406
309 HB2 HIS 549 2HB HIS 549 -2.015 -2.734 -2.609
310 HB3 HIS 549 1HB HIS 549 -2.547 -3.552 -4.073
311 HD1 HIS 549 1HD HIS 549 -1.030 -4.359 -1.045
312 HD2 HIS 549 2HD HIS 549 -0.127 -5.291 -4.993
313 HE1 HIS 549 1HE HIS 549 0.414 -6.413 -0.937
314 HE2 HIS 549 2HE HIS 549 0.874 -7.011 -3.341
315 H ASN 550 H ASN 550 -0.023 -0.186 -3.131
316 HA ASN 550 HA ASN 550 -0.601 1.976 -2.760
317 HB2 ASN 550 2HB ASN 550 -2.407 1.676 -5.164
318 HB3 ASN 550 1HB ASN 550 -1.815 3.186 -4.474
319 HD21 ASN 550 1HD2 ASN 550 0.828 2.386 -3.963
320 HD22 ASN 550 2HD2 ASN 550 1.634 2.174 -5.475
321 H GLN 551 H GLN 551 -3.241 -0.300 -3.146
322 HA GLN 551 HA GLN 551 -5.042 -0.663 -1.820
323 HB2 GLN 551 2HB GLN 551 -4.439 1.876 -0.328
324 HB3 GLN 551 1HB GLN 551 -5.398 0.502 0.198
325 HG2 GLN 551 2HG GLN 551 -3.327 -0.880 0.093
326 HG3 GLN 551 1HG GLN 551 -2.425 0.612 -0.166
327 HE21 GLN 551 1HE2 GLN 551 -3.320 -1.550 2.104
328 HE22 GLN 551 2HE2 GLN 551 -3.242 -0.556 3.516
329 H ASP 552 H ASP 552 -6.945 -0.439 -2.594
330 HA ASP 552 HA ASP 552 -8.090 2.176 -3.140
331 HB2 ASP 552 2HB ASP 552 -8.766 1.521 -5.436
332 HB3 ASP 552 1HB ASP 552 -7.021 1.670 -5.251
333 H GLY 553 H GLY 553 -9.030 0.886 -1.116
334 HA2 GLY 553 2HA GLY 553 -10.942 0.031 -0.193
335 HA3 GLY 553 1HA GLY 553 -11.708 0.308 -1.745
336 H LEU 554 H LEU 554 -8.918 -1.752 -1.520
337 HA LEU 554 HA LEU 554 -10.426 -3.980 -2.541
338 HB2 LEU 554 2HB LEU 554 -7.579 -4.056 -1.578
339 HB3 LEU 554 1HB LEU 554 -8.347 -5.097 -2.761
340 HG LEU 554 HG LEU 554 -7.596 -2.198 -3.122
341 HD11 LEU 554 1HD1 LEU 554 -6.679 -4.268 -4.992
342 HD12 LEU 554 2HD1 LEU 554 -6.020 -4.383 -3.361
343 HD13 LEU 554 3HD1 LEU 554 -5.813 -2.900 -4.294
344 HD21 LEU 554 3HD2 LEU 554 -8.352 -2.809 -5.545
345 HD22 LEU 554 1HD2 LEU 554 -9.539 -2.287 -4.351
346 HD23 LEU 554 2HD2 LEU 554 -9.354 -4.003 -4.720
347 H ILE 555 H ILE 555 -9.342 -2.886 0.538
348 HA ILE 555 HA ILE 555 -9.845 -5.491 1.778
349 HB ILE 555 HB ILE 555 -8.793 -3.010 3.125
350 HG12 ILE 555 2HG1 ILE 555 -6.759 -4.985 2.613
351 HG13 ILE 555 1HG1 ILE 555 -7.507 -4.497 1.095
352 HG21 ILE 555 1HG2 ILE 555 -8.475 -5.909 3.856
353 HG22 ILE 555 2HG2 ILE 555 -9.698 -4.838 4.536
354 HG23 ILE 555 3HG2 ILE 555 -7.986 -4.507 4.804
355 HD11 ILE 555 3HD1 ILE 555 -6.493 -2.522 1.123
356 HD12 ILE 555 1HD1 ILE 555 -5.475 -3.194 2.397
357 HD13 ILE 555 2HD1 ILE 555 -6.899 -2.241 2.816
358 H CYS 556 H CYS 556 -10.809 -2.099 1.978
359 HA CYS 556 HA CYS 556 -12.768 -2.498 3.999
360 HB2 CYS 556 2HB CYS 556 -11.524 -0.324 3.306
361 HB3 CYS 556 1HB CYS 556 -12.774 -0.182 2.082
362 H GLY 557 H GLY 557 -13.125 -1.636 0.551
363 HA2 GLY 557 2HA GLY 557 -15.908 -2.508 0.653
364 HA3 GLY 557 1HA GLY 557 -15.136 -1.644 -0.665
365 H LEU 558 H LEU 558 -12.855 -3.560 -0.643
366 HA LEU 558 HA LEU 558 -12.212 -5.502 -1.648
367 HB2 LEU 558 2HB LEU 558 -15.004 -6.517 -1.206
368 HB3 LEU 558 1HB LEU 558 -13.531 -7.454 -1.371
369 HG LEU 558 HG LEU 558 -12.943 -5.985 0.836
370 HD11 LEU 558 1HD1 LEU 558 -15.865 -6.023 0.539
371 HD12 LEU 558 2HD1 LEU 558 -14.828 -4.945 1.471
372 HD13 LEU 558 3HD1 LEU 558 -15.260 -6.528 2.117
373 HD21 LEU 558 3HD2 LEU 558 -14.287 -8.661 0.567
374 HD22 LEU 558 1HD2 LEU 558 -13.694 -8.042 2.109
375 HD23 LEU 558 2HD2 LEU 558 -12.571 -8.313 0.778
376 H ARG 559 H ARG 559 -13.926 -3.306 -2.984
377 HA ARG 559 HA ARG 559 -13.868 -4.413 -5.600
378 HB2 ARG 559 2HB ARG 559 -16.495 -3.906 -5.767
379 HB3 ARG 559 1HB ARG 559 -15.851 -5.499 -5.388
380 HG2 ARG 559 2HG ARG 559 -16.290 -5.247 -3.087
381 HG3 ARG 559 1HG ARG 559 -16.562 -3.512 -3.252
382 HD2 ARG 559 2HD ARG 559 -18.297 -5.347 -4.815
383 HD3 ARG 559 1HD ARG 559 -18.564 -5.245 -3.076
384 HE ARG 559 HE ARG 559 -19.257 -3.293 -5.028
385 HH11 ARG 559 1HH1 ARG 559 -18.212 -3.673 -1.721
386 HH12 ARG 559 2HH1 ARG 559 -18.920 -2.184 -1.194
387 HH21 ARG 559 1HH2 ARG 559 -20.190 -1.334 -4.338
388 HH22 ARG 559 2HH2 ARG 559 -20.045 -0.856 -2.680
389 H GLN 560 H GLN 560 -13.294 -1.913 -3.857
390 HA GLN 560 HA GLN 560 -14.782 0.156 -5.207
391 HB2 GLN 560 2HB GLN 560 -12.320 0.586 -3.533
392 HB3 GLN 560 1HB GLN 560 -13.649 1.699 -3.823
393 HG2 GLN 560 2HG GLN 560 -13.584 -0.717 -2.051
394 HG3 GLN 560 1HG GLN 560 -13.929 0.958 -1.621
395 HE21 GLN 560 1HE2 GLN 560 -15.196 -2.014 -2.764
396 HE22 GLN 560 2HE2 GLN 560 -16.852 -1.541 -2.851
Start of MODEL 10
1 H1 ALA 507 1HT ALA 507 -10.481 -11.736 -0.423
2 H2 ALA 507 2HT ALA 507 -10.045 -10.280 -1.220
3 H3 ALA 507 3HT ALA 507 -11.389 -11.194 -1.771
4 HA ALA 507 HA ALA 507 -11.834 -9.143 -0.432
5 HB1 ALA 507 2HB ALA 507 -13.813 -10.076 0.405
6 HB2 ALA 507 3HB ALA 507 -13.065 -11.653 0.661
7 HB3 ALA 507 1HB ALA 507 -13.393 -11.087 -0.977
8 H GLN 508 H GLN 508 -11.746 -8.155 1.535
9 HA GLN 508 HA GLN 508 -10.946 -9.556 3.910
10 HB2 GLN 508 2HB GLN 508 -8.937 -7.969 4.218
11 HB3 GLN 508 1HB GLN 508 -8.743 -9.374 3.182
12 HG2 GLN 508 2HG GLN 508 -9.500 -7.607 1.333
13 HG3 GLN 508 1HG GLN 508 -8.780 -6.499 2.498
14 HE21 GLN 508 1HE2 GLN 508 -6.618 -7.470 3.404
15 HE22 GLN 508 2HE2 GLN 508 -5.511 -7.993 2.185
16 HA PRO 509 HA PRO 509 -13.214 -5.930 5.278
17 HB2 PRO 509 2HB PRO 509 -14.247 -6.950 7.449
18 HB3 PRO 509 1HB PRO 509 -14.632 -7.720 5.898
19 HG2 PRO 509 2HG PRO 509 -12.582 -8.508 7.936
20 HG3 PRO 509 1HG PRO 509 -13.786 -9.536 7.132
21 HD2 PRO 509 2HD PRO 509 -11.149 -9.246 6.316
22 HD3 PRO 509 1HD PRO 509 -12.473 -9.773 5.259
23 H LYS 510 H LYS 510 -11.990 -4.297 5.965
24 HA LYS 510 HA LYS 510 -11.114 -4.173 8.686
25 HB2 LYS 510 2HB LYS 510 -9.130 -4.454 6.489
26 HB3 LYS 510 1HB LYS 510 -8.744 -3.394 7.833
27 HG2 LYS 510 2HG LYS 510 -9.422 -6.319 8.026
28 HG3 LYS 510 1HG LYS 510 -7.811 -5.615 8.148
29 HD2 LYS 510 2HD LYS 510 -10.122 -5.118 10.027
30 HD3 LYS 510 1HD LYS 510 -8.699 -6.107 10.360
31 HE2 LYS 510 2HE LYS 510 -7.403 -3.913 9.778
32 HE3 LYS 510 1HE LYS 510 -8.943 -3.139 10.147
33 HZ1 LYS 510 3HZ LYS 510 -8.056 -5.083 12.098
34 HZ2 LYS 510 1HZ LYS 510 -8.715 -3.541 12.326
35 HZ3 LYS 510 2HZ LYS 510 -7.071 -3.714 11.969
36 H CYS 511 H CYS 511 -11.022 -2.703 5.528
37 HA CYS 511 HA CYS 511 -11.543 -0.631 4.810
38 HB2 CYS 511 2HB CYS 511 -12.623 -0.519 7.552
39 HB3 CYS 511 1HB CYS 511 -12.312 1.024 6.766
40 H ASN 512 H ASN 512 -9.009 -1.235 5.132
41 HA ASN 512 HA ASN 512 -7.891 1.354 5.939
42 HB2 ASN 512 2HB ASN 512 -7.277 -0.318 7.633
43 HB3 ASN 512 1HB ASN 512 -6.576 -1.333 6.381
44 HD21 ASN 512 1HD2 ASN 512 -6.142 2.044 5.947
45 HD22 ASN 512 2HD2 ASN 512 -4.501 2.122 6.476
46 HA PRO 513 HA PRO 513 -6.354 -0.235 1.724
47 HB2 PRO 513 2HB PRO 513 -8.272 0.195 -0.049
48 HB3 PRO 513 1HB PRO 513 -8.349 -1.214 1.014
49 HG2 PRO 513 2HG PRO 513 -9.749 1.429 1.299
50 HG3 PRO 513 1HG PRO 513 -10.422 -0.204 1.442
51 HD2 PRO 513 2HD PRO 513 -9.642 1.309 3.590
52 HD3 PRO 513 1HD PRO 513 -9.660 -0.464 3.577
53 H ASN 514 H ASN 514 -8.428 1.979 0.161
54 HA ASN 514 HA ASN 514 -6.290 3.779 -0.327
55 HB2 ASN 514 2HB ASN 514 -7.664 4.744 -1.934
56 HB3 ASN 514 1HB ASN 514 -8.256 3.088 -1.865
57 HD21 ASN 514 1HD2 ASN 514 -10.327 2.722 -1.337
58 HD22 ASN 514 2HD2 ASN 514 -11.462 3.948 -0.901
59 H LEU 515 H LEU 515 -8.229 3.509 2.318
60 HA LEU 515 HA LEU 515 -8.444 6.388 2.769
61 HB2 LEU 515 2HB LEU 515 -9.477 4.108 4.456
62 HB3 LEU 515 1HB LEU 515 -9.850 5.810 4.664
63 HG LEU 515 HG LEU 515 -11.746 4.910 3.613
64 HD11 LEU 515 1HD1 LEU 515 -11.124 6.966 2.559
65 HD12 LEU 515 2HD1 LEU 515 -11.698 5.862 1.309
66 HD13 LEU 515 3HD1 LEU 515 -9.967 6.141 1.512
67 HD21 LEU 515 3HD2 LEU 515 -10.514 3.732 1.247
68 HD22 LEU 515 1HD2 LEU 515 -11.763 3.088 2.313
69 HD23 LEU 515 2HD2 LEU 515 -10.061 2.921 2.745
70 H HIS 516 H HIS 516 -5.885 5.460 2.668
71 HA HIS 516 HA HIS 516 -4.697 6.477 4.933
72 HB2 HIS 516 2HB HIS 516 -5.700 3.917 5.485
73 HB3 HIS 516 1HB HIS 516 -3.968 3.693 5.263
74 HD1 HIS 516 1HD HIS 516 -5.393 3.378 8.023
75 HD2 HIS 516 2HD HIS 516 -3.433 6.803 6.720
76 HE1 HIS 516 1HE HIS 516 -4.755 4.624 10.113
77 HE2 HIS 516 2HE HIS 516 -3.660 6.740 9.296
78 H TYR 517 H TYR 517 -4.523 4.208 2.284
79 HA TYR 517 HA TYR 517 -1.895 3.677 1.942
80 HB2 TYR 517 2HB TYR 517 -2.314 3.368 -0.358
81 HB3 TYR 517 1HB TYR 517 -3.863 3.083 0.419
82 HD1 TYR 517 2HD TYR 517 -5.203 5.492 0.722
83 HD2 TYR 517 1HD TYR 517 -2.470 4.470 -2.372
84 HE1 TYR 517 2HE TYR 517 -6.261 7.153 -0.751
85 HE2 TYR 517 1HE TYR 517 -3.516 6.130 -3.853
86 HH TYR 517 HH TYR 517 -4.873 8.286 -3.535
87 H TRP 518 H TRP 518 -3.459 6.747 1.204
88 HA TRP 518 HA TRP 518 -1.232 8.026 0.023
89 HB2 TRP 518 2HB TRP 518 -2.553 10.132 0.696
90 HB3 TRP 518 1HB TRP 518 -3.345 9.000 -0.398
91 HD1 TRP 518 HD TRP 518 -3.213 8.098 3.287
92 HE1 TRP 518 1HE TRP 518 -5.575 8.243 4.278
93 HE3 TRP 518 3HE TRP 518 -5.603 10.276 -0.664
94 HZ2 TRP 518 2HZ TRP 518 -8.131 9.169 3.489
95 HZ3 TRP 518 3HZ TRP 518 -8.009 10.760 -0.470
96 HH2 TRP 518 HH TRP 518 -9.246 10.216 1.566
97 H THR 519 H THR 519 0.454 7.364 1.538
98 HA THR 519 HA THR 519 1.017 9.421 3.443
99 HB THR 519 HB THR 519 -0.401 8.198 4.890
100 HG1 THR 519 1HG THR 519 1.000 7.687 6.489
101 HG21 THR 519 3HG2 THR 519 1.031 5.632 4.698
102 HG22 THR 519 1HG2 THR 519 -0.084 6.034 3.391
103 HG23 THR 519 2HG2 THR 519 -0.664 5.971 5.058
104 H THR 520 H THR 520 1.787 6.032 2.755
105 HA THR 520 HA THR 520 4.602 6.813 2.434
106 HB THR 520 HB THR 520 4.127 5.414 4.486
107 HG1 THR 520 1HG THR 520 5.822 4.388 2.466
108 HG21 THR 520 3HG2 THR 520 2.821 3.719 2.588
109 HG22 THR 520 1HG2 THR 520 2.904 3.583 4.345
110 HG23 THR 520 2HG2 THR 520 4.164 2.861 3.345
111 H GLN 521 H GLN 521 1.879 5.865 0.892
112 HA GLN 521 HA GLN 521 3.255 4.214 -1.057
113 HB2 GLN 521 2HB GLN 521 1.258 3.234 -1.578
114 HB3 GLN 521 1HB GLN 521 0.893 3.732 0.068
115 HG2 GLN 521 2HG GLN 521 -0.974 4.405 -1.091
116 HG3 GLN 521 1HG GLN 521 -0.015 5.881 -1.027
117 HE21 GLN 521 1HE2 GLN 521 -0.290 6.940 -2.826
118 HE22 GLN 521 2HE2 GLN 521 -0.254 6.286 -4.422
119 H ASP 522 H ASP 522 1.560 7.197 -0.643
120 HA ASP 522 HA ASP 522 1.989 7.966 -3.429
121 HB2 ASP 522 2HB ASP 522 -0.074 8.498 -1.613
122 HB3 ASP 522 1HB ASP 522 0.785 10.025 -1.779
123 H GLU 523 H GLU 523 3.713 7.938 -0.745
124 HA GLU 523 HA GLU 523 5.301 10.278 -1.503
125 HB2 GLU 523 2HB GLU 523 5.125 9.590 1.389
126 HB3 GLU 523 1HB GLU 523 5.399 11.149 0.623
127 HG2 GLU 523 2HG GLU 523 2.935 10.868 -0.171
128 HG3 GLU 523 1HG GLU 523 2.838 9.732 1.176
129 H GLY 524 H GLY 524 5.013 7.068 -0.333
130 HA2 GLY 524 2HA GLY 524 7.941 6.778 -0.305
131 HA3 GLY 524 1HA GLY 524 6.842 5.784 0.646
132 H ALA 525 H ALA 525 4.906 5.653 -1.615
133 HA ALA 525 HA ALA 525 6.337 3.610 -3.172
134 HB1 ALA 525 1HB ALA 525 4.354 2.909 -1.799
135 HB2 ALA 525 2HB ALA 525 4.251 2.507 -3.513
136 HB3 ALA 525 3HB ALA 525 3.351 3.884 -2.873
137 H ALA 526 H ALA 526 6.276 6.524 -3.630
138 HA ALA 526 HA ALA 526 5.470 6.437 -6.443
139 HB1 ALA 526 1HB ALA 526 3.583 7.492 -5.584
140 HB2 ALA 526 2HB ALA 526 4.600 8.826 -6.131
141 HB3 ALA 526 3HB ALA 526 4.523 8.422 -4.415
142 H ILE 527 H ILE 527 7.796 7.173 -4.187
143 HA ILE 527 HA ILE 527 9.285 8.778 -6.130
144 HB ILE 527 HB ILE 527 10.152 9.675 -3.623
145 HG12 ILE 527 2HG1 ILE 527 7.812 8.707 -2.945
146 HG13 ILE 527 1HG1 ILE 527 8.314 10.283 -2.345
147 HG21 ILE 527 1HG2 ILE 527 10.295 11.274 -5.206
148 HG22 ILE 527 2HG2 ILE 527 8.746 11.768 -4.524
149 HG23 ILE 527 3HG2 ILE 527 8.791 10.791 -5.991
150 HD11 ILE 527 3HD1 ILE 527 6.724 10.128 -4.856
151 HD12 ILE 527 1HD1 ILE 527 6.794 11.403 -3.640
152 HD13 ILE 527 2HD1 ILE 527 5.917 9.910 -3.302
153 H GLY 528 H GLY 528 9.317 6.696 -3.282
154 HA2 GLY 528 2HA GLY 528 12.145 6.344 -3.226
155 HA3 GLY 528 1HA GLY 528 10.959 5.360 -2.383
156 H LEU 529 H LEU 529 11.019 3.295 -2.942
157 HA LEU 529 HA LEU 529 11.602 2.631 -5.752
158 HB2 LEU 529 2HB LEU 529 12.676 1.289 -3.286
159 HB3 LEU 529 1HB LEU 529 12.826 0.623 -4.895
160 HG LEU 529 HG LEU 529 14.059 3.179 -3.874
161 HD11 LEU 529 1HD1 LEU 529 16.139 1.845 -4.667
162 HD12 LEU 529 2HD1 LEU 529 15.081 0.443 -4.500
163 HD13 LEU 529 3HD1 LEU 529 15.409 1.472 -3.106
164 HD21 LEU 529 3HD2 LEU 529 14.129 1.984 -6.641
165 HD22 LEU 529 1HD2 LEU 529 15.103 3.347 -6.090
166 HD23 LEU 529 2HD2 LEU 529 13.348 3.493 -6.171
167 H ALA 530 H ALA 530 9.070 2.723 -5.408
168 HA ALA 530 HA ALA 530 7.991 0.214 -4.374
169 HB1 ALA 530 1HB ALA 530 5.963 1.668 -5.653
170 HB2 ALA 530 2HB ALA 530 6.977 2.857 -4.837
171 HB3 ALA 530 3HB ALA 530 6.258 1.533 -3.920
172 H TRP 531 H TRP 531 8.707 1.824 -7.330
173 HA TRP 531 HA TRP 531 7.279 0.125 -9.124
174 HB2 TRP 531 2HB TRP 531 9.233 1.185 -10.672
175 HB3 TRP 531 1HB TRP 531 7.799 2.092 -10.200
176 HD1 TRP 531 HD TRP 531 11.392 1.532 -8.861
177 HE1 TRP 531 1HE TRP 531 12.154 3.697 -7.714
178 HE3 TRP 531 3HE TRP 531 7.128 4.281 -9.436
179 HZ2 TRP 531 2HZ TRP 531 11.085 6.265 -7.142
180 HZ3 TRP 531 3HZ TRP 531 7.072 6.578 -8.560
181 HH2 TRP 531 HH TRP 531 9.004 7.547 -7.435
182 H ILE 532 H ILE 532 10.247 -0.052 -7.419
183 HA ILE 532 HA ILE 532 11.072 -2.428 -8.950
184 HB ILE 532 HB ILE 532 12.655 -0.644 -9.245
185 HG12 ILE 532 2HG1 ILE 532 13.650 -2.692 -7.257
186 HG13 ILE 532 1HG1 ILE 532 13.685 -2.814 -9.016
187 HG21 ILE 532 1HG2 ILE 532 11.953 -0.016 -6.556
188 HG22 ILE 532 2HG2 ILE 532 12.869 0.942 -7.718
189 HG23 ILE 532 3HG2 ILE 532 13.702 -0.197 -6.662
190 HD11 ILE 532 3HD1 ILE 532 14.998 -0.419 -8.191
191 HD12 ILE 532 1HD1 ILE 532 15.646 -1.800 -9.080
192 HD13 ILE 532 2HD1 ILE 532 15.664 -1.800 -7.316
193 HA PRO 533 HA PRO 533 10.056 -3.768 -4.628
194 HB2 PRO 533 2HB PRO 533 8.921 -6.133 -5.892
195 HB3 PRO 533 1HB PRO 533 8.133 -4.930 -4.871
196 HG2 PRO 533 2HG PRO 533 7.612 -5.178 -7.522
197 HG3 PRO 533 1HG PRO 533 7.503 -3.633 -6.657
198 HD2 PRO 533 2HD PRO 533 9.703 -4.677 -8.406
199 HD3 PRO 533 1HD PRO 533 9.006 -3.044 -8.325
200 H TYR 534 H TYR 534 11.178 -5.143 -3.374
201 HA TYR 534 HA TYR 534 12.267 -7.595 -4.011
202 HB2 TYR 534 2HB TYR 534 14.649 -7.105 -4.309
203 HB3 TYR 534 1HB TYR 534 13.692 -6.445 -5.626
204 HD1 TYR 534 1HD TYR 534 13.373 -4.011 -5.824
205 HD2 TYR 534 2HD TYR 534 15.855 -5.680 -2.800
206 HE1 TYR 534 1HE TYR 534 14.394 -1.805 -5.452
207 HE2 TYR 534 2HE TYR 534 16.881 -3.479 -2.417
208 HH TYR 534 HH TYR 534 16.915 -1.097 -4.392
209 H PHE 535 H PHE 535 12.736 -4.584 -2.290
210 HA PHE 535 HA PHE 535 13.856 -5.961 0.022
211 HB2 PHE 535 2HB PHE 535 14.152 -3.709 0.960
212 HB3 PHE 535 1HB PHE 535 14.863 -3.825 -0.647
213 HD1 PHE 535 2HD PHE 535 13.669 -2.825 -2.587
214 HD2 PHE 535 1HD PHE 535 12.418 -2.178 1.427
215 HE1 PHE 535 2HE PHE 535 12.357 -0.878 -3.318
216 HE2 PHE 535 1HE PHE 535 11.100 -0.229 0.704
217 HZ PHE 535 HZ PHE 535 11.069 0.421 -1.672
218 H GLY 536 H GLY 536 10.990 -6.168 -0.991
219 HA2 GLY 536 2HA GLY 536 9.088 -4.917 0.482
220 HA3 GLY 536 1HA GLY 536 8.993 -6.624 0.081
221 HA PRO 537 HA PRO 537 9.631 -7.768 4.308
222 HB2 PRO 537 2HB PRO 537 11.799 -9.363 4.477
223 HB3 PRO 537 1HB PRO 537 10.319 -9.865 3.651
224 HG2 PRO 537 2HG PRO 537 12.867 -8.804 2.495
225 HG3 PRO 537 1HG PRO 537 11.858 -10.149 1.933
226 HD2 PRO 537 2HD PRO 537 11.787 -7.661 0.827
227 HD3 PRO 537 1HD PRO 537 10.391 -8.755 0.846
228 H ALA 538 H ALA 538 11.917 -5.753 2.934
229 HA ALA 538 HA ALA 538 13.611 -5.504 5.275
230 HB1 ALA 538 1HB ALA 538 13.990 -3.414 3.330
231 HB2 ALA 538 2HB ALA 538 13.950 -4.994 2.546
232 HB3 ALA 538 3HB ALA 538 15.102 -4.683 3.845
233 H ALA 539 H ALA 539 11.454 -3.362 3.403
234 HA ALA 539 HA ALA 539 11.489 -1.242 5.252
235 HB1 ALA 539 1HB ALA 539 9.829 -0.256 3.961
236 HB2 ALA 539 2HB ALA 539 9.129 -1.809 3.509
237 HB3 ALA 539 3HB ALA 539 10.659 -1.295 2.801
238 H GLU 540 H GLU 540 9.141 -3.814 4.668
239 HA GLU 540 HA GLU 540 7.322 -4.511 5.882
240 HB2 GLU 540 2HB GLU 540 7.998 -5.555 7.944
241 HB3 GLU 540 1HB GLU 540 9.265 -5.747 6.739
242 HG2 GLU 540 2HG GLU 540 10.722 -4.394 7.844
243 HG3 GLU 540 1HG GLU 540 9.444 -3.437 8.592
244 H GLY 541 H GLY 541 7.577 -1.551 5.938
245 HA2 GLY 541 2HA GLY 541 5.633 -0.445 7.069
246 HA3 GLY 541 1HA GLY 541 6.296 -1.082 8.559
247 H ILE 542 H ILE 542 8.602 0.091 6.276
248 HA ILE 542 HA ILE 542 9.005 2.433 8.006
249 HB ILE 542 HB ILE 542 10.920 1.346 5.946
250 HG12 ILE 542 2HG1 ILE 542 11.463 1.020 8.842
251 HG13 ILE 542 1HG1 ILE 542 10.233 -0.035 8.150
252 HG21 ILE 542 1HG2 ILE 542 12.549 2.760 6.956
253 HG22 ILE 542 2HG2 ILE 542 11.448 3.192 8.265
254 HG23 ILE 542 3HG2 ILE 542 11.125 3.746 6.622
255 HD11 ILE 542 3HD1 ILE 542 12.356 -0.078 6.350
256 HD12 ILE 542 1HD1 ILE 542 11.860 -1.356 7.459
257 HD13 ILE 542 2HD1 ILE 542 13.085 -0.188 7.954
258 H TYR 543 H TYR 543 8.705 1.471 4.615
259 HA TYR 543 HA TYR 543 7.589 4.049 3.986
260 HB2 TYR 543 2HB TYR 543 9.444 4.069 1.980
261 HB3 TYR 543 1HB TYR 543 9.543 5.022 3.455
262 HD1 TYR 543 1HD TYR 543 10.161 1.378 2.912
263 HD2 TYR 543 2HD TYR 543 11.798 5.159 3.973
264 HE1 TYR 543 1HE TYR 543 12.295 0.294 3.459
265 HE2 TYR 543 2HE TYR 543 13.937 4.083 4.526
266 HH TYR 543 HH TYR 543 14.815 1.928 5.120
267 H ILE 544 H ILE 544 9.274 2.265 1.506
268 HA ILE 544 HA ILE 544 6.961 1.973 -0.061
269 HB ILE 544 HB ILE 544 9.559 0.478 -0.359
270 HG12 ILE 544 2HG1 ILE 544 9.506 2.633 -2.134
271 HG13 ILE 544 1HG1 ILE 544 8.921 3.301 -0.614
272 HG21 ILE 544 1HG2 ILE 544 7.603 -0.308 -1.701
273 HG22 ILE 544 2HG2 ILE 544 8.977 0.244 -2.658
274 HG23 ILE 544 3HG2 ILE 544 7.564 1.281 -2.464
275 HD11 ILE 544 3HD1 ILE 544 11.038 1.949 0.299
276 HD12 ILE 544 1HD1 ILE 544 11.121 3.618 -0.266
277 HD13 ILE 544 2HD1 ILE 544 11.597 2.300 -1.337
278 H GLU 545 H GLU 545 8.955 -0.611 1.395
279 HA GLU 545 HA GLU 545 8.471 -2.776 1.911
280 HB2 GLU 545 2HB GLU 545 5.678 -2.351 2.655
281 HB3 GLU 545 1HB GLU 545 7.033 -2.908 3.629
282 HG2 GLU 545 2HG GLU 545 7.663 -0.706 4.188
283 HG3 GLU 545 1HG GLU 545 6.619 -0.012 2.954
284 H GLY 546 H GLY 546 6.452 -4.464 1.749
285 HA2 GLY 546 2HA GLY 546 6.002 -4.676 -1.108
286 HA3 GLY 546 1HA GLY 546 5.624 -5.895 0.102
287 H LEU 547 H LEU 547 4.568 -2.807 -1.242
288 HA LEU 547 HA LEU 547 1.788 -3.585 -0.755
289 HB2 LEU 547 2HB LEU 547 1.258 -1.393 0.183
290 HB3 LEU 547 1HB LEU 547 2.439 -2.237 1.173
291 HG LEU 547 HG LEU 547 4.161 -0.863 -0.262
292 HD11 LEU 547 1HD1 LEU 547 2.927 1.500 -0.431
293 HD12 LEU 547 2HD1 LEU 547 1.565 0.439 -0.799
294 HD13 LEU 547 3HD1 LEU 547 3.027 0.367 -1.781
295 HD21 LEU 547 3HD2 LEU 547 3.682 1.085 1.454
296 HD22 LEU 547 1HD2 LEU 547 4.312 -0.476 1.982
297 HD23 LEU 547 2HD2 LEU 547 2.592 -0.115 2.148
298 H MET 548 H MET 548 3.354 -3.456 -3.184
299 HA MET 548 HA MET 548 2.805 -1.052 -4.584
300 HB2 MET 548 2HB MET 548 3.176 -3.713 -5.908
301 HB3 MET 548 1HB MET 548 3.608 -2.120 -6.504
302 HG2 MET 548 2HG MET 548 5.655 -2.365 -5.712
303 HG3 MET 548 1HG MET 548 5.010 -2.537 -4.082
304 HE1 MET 548 3HE MET 548 4.149 -5.569 -3.334
305 HE2 MET 548 1HE MET 548 5.099 -4.196 -2.764
306 HE3 MET 548 2HE MET 548 5.869 -5.767 -2.998
307 H HIS 549 H HIS 549 0.461 -1.980 -3.292
308 HA HIS 549 HA HIS 549 -1.250 -2.702 -5.572
309 HB2 HIS 549 2HB HIS 549 -2.209 -2.768 -2.731
310 HB3 HIS 549 1HB HIS 549 -2.744 -3.725 -4.108
311 HD1 HIS 549 1HD HIS 549 -1.064 -4.175 -1.072
312 HD2 HIS 549 2HD HIS 549 -0.336 -5.479 -4.948
313 HE1 HIS 549 1HE HIS 549 0.457 -6.163 -0.837
314 HE2 HIS 549 2HE HIS 549 0.807 -6.993 -3.190
315 H ASN 550 H ASN 550 -0.342 -0.264 -3.394
316 HA ASN 550 HA ASN 550 -0.955 1.905 -3.145
317 HB2 ASN 550 2HB ASN 550 -2.751 1.455 -5.531
318 HB3 ASN 550 1HB ASN 550 -2.196 3.008 -4.913
319 HD21 ASN 550 1HD2 ASN 550 0.478 2.213 -4.356
320 HD22 ASN 550 2HD2 ASN 550 1.281 1.981 -5.865
321 H GLN 551 H GLN 551 -3.674 -0.305 -3.623
322 HA GLN 551 HA GLN 551 -5.480 -0.666 -2.302
323 HB2 GLN 551 2HB GLN 551 -4.784 1.772 -0.688
324 HB3 GLN 551 1HB GLN 551 -5.798 0.412 -0.228
325 HG2 GLN 551 2HG GLN 551 -3.684 -1.001 -0.551
326 HG3 GLN 551 1HG GLN 551 -2.827 0.536 -0.459
327 HE21 GLN 551 1HE2 GLN 551 -2.881 1.715 1.478
328 HE22 GLN 551 2HE2 GLN 551 -3.293 0.968 2.981
329 H ASP 552 H ASP 552 -7.391 -0.321 -3.030
330 HA ASP 552 HA ASP 552 -8.418 2.362 -3.455
331 HB2 ASP 552 2HB ASP 552 -7.215 1.221 -5.584
332 HB3 ASP 552 1HB ASP 552 -8.844 0.581 -5.779
333 H GLY 553 H GLY 553 -9.402 0.924 -1.500
334 HA2 GLY 553 2HA GLY 553 -11.447 0.253 -0.678
335 HA3 GLY 553 1HA GLY 553 -12.104 0.433 -2.296
336 H LEU 554 H LEU 554 -9.501 -1.657 -1.077
337 HA LEU 554 HA LEU 554 -11.000 -3.958 -2.139
338 HB2 LEU 554 2HB LEU 554 -8.040 -3.789 -1.587
339 HB3 LEU 554 1HB LEU 554 -8.887 -5.089 -2.405
340 HG LEU 554 HG LEU 554 -8.433 -2.290 -3.432
341 HD11 LEU 554 1HD1 LEU 554 -7.198 -4.926 -3.875
342 HD12 LEU 554 2HD1 LEU 554 -6.516 -3.308 -4.033
343 HD13 LEU 554 3HD1 LEU 554 -7.518 -3.971 -5.323
344 HD21 LEU 554 3HD2 LEU 554 -10.113 -4.528 -4.548
345 HD22 LEU 554 1HD2 LEU 554 -9.571 -3.140 -5.493
346 HD23 LEU 554 2HD2 LEU 554 -10.638 -2.902 -4.109
347 H ILE 555 H ILE 555 -9.719 -2.532 0.703
348 HA ILE 555 HA ILE 555 -10.086 -5.043 2.187
349 HB ILE 555 HB ILE 555 -8.685 -2.612 3.271
350 HG12 ILE 555 2HG1 ILE 555 -6.863 -4.693 2.445
351 HG13 ILE 555 1HG1 ILE 555 -7.800 -4.137 1.064
352 HG21 ILE 555 1HG2 ILE 555 -7.994 -3.958 4.975
353 HG22 ILE 555 2HG2 ILE 555 -8.019 -5.416 3.982
354 HG23 ILE 555 3HG2 ILE 555 -9.529 -4.737 4.590
355 HD11 ILE 555 3HD1 ILE 555 -5.530 -2.965 2.125
356 HD12 ILE 555 1HD1 ILE 555 -6.853 -1.922 2.646
357 HD13 ILE 555 2HD1 ILE 555 -6.624 -2.267 0.931
358 H CYS 556 H CYS 556 -11.236 -1.812 1.793
359 HA CYS 556 HA CYS 556 -12.686 -1.739 4.277
360 HB2 CYS 556 2HB CYS 556 -11.727 0.288 3.065
361 HB3 CYS 556 1HB CYS 556 -13.047 0.109 1.920
362 H GLY 557 H GLY 557 -13.241 -3.893 2.309
363 HA2 GLY 557 2HA GLY 557 -15.882 -4.321 2.725
364 HA3 GLY 557 1HA GLY 557 -15.836 -3.370 1.244
365 H LEU 558 H LEU 558 -15.987 -4.593 -0.460
366 HA LEU 558 HA LEU 558 -14.215 -6.844 -0.809
367 HB2 LEU 558 2HB LEU 558 -16.909 -7.655 -1.544
368 HB3 LEU 558 1HB LEU 558 -15.678 -8.526 -0.652
369 HG LEU 558 HG LEU 558 -17.299 -6.391 0.697
370 HD11 LEU 558 1HD1 LEU 558 -18.620 -8.331 -0.546
371 HD12 LEU 558 2HD1 LEU 558 -19.105 -7.713 1.033
372 HD13 LEU 558 3HD1 LEU 558 -18.176 -9.208 0.919
373 HD21 LEU 558 3HD2 LEU 558 -16.110 -7.019 2.465
374 HD22 LEU 558 1HD2 LEU 558 -15.244 -8.193 1.473
375 HD23 LEU 558 2HD2 LEU 558 -16.727 -8.666 2.302
376 H ARG 559 H ARG 559 -16.815 -4.826 -2.068
377 HA ARG 559 HA ARG 559 -15.505 -4.876 -4.687
378 HB2 ARG 559 2HB ARG 559 -17.876 -4.832 -5.685
379 HB3 ARG 559 1HB ARG 559 -17.247 -6.375 -5.123
380 HG2 ARG 559 2HG ARG 559 -18.670 -6.457 -3.323
381 HG3 ARG 559 1HG ARG 559 -18.869 -4.704 -3.265
382 HD2 ARG 559 2HD ARG 559 -20.887 -5.265 -4.155
383 HD3 ARG 559 1HD ARG 559 -19.955 -5.126 -5.645
384 HE ARG 559 HE ARG 559 -19.793 -7.766 -4.693
385 HH11 ARG 559 1HH1 ARG 559 -22.092 -5.561 -6.121
386 HH12 ARG 559 2HH1 ARG 559 -23.023 -6.816 -6.866
387 HH21 ARG 559 1HH2 ARG 559 -21.017 -9.419 -5.673
388 HH22 ARG 559 2HH2 ARG 559 -22.414 -9.006 -6.612
389 H GLN 560 H GLN 560 -15.160 -2.890 -2.846
390 HA GLN 560 HA GLN 560 -16.887 -0.770 -2.713
391 HB2 GLN 560 2HB GLN 560 -13.884 -0.676 -3.043
392 HB3 GLN 560 1HB GLN 560 -14.868 0.698 -2.567
393 HG2 GLN 560 2HG GLN 560 -14.154 -1.748 -1.026
394 HG3 GLN 560 1HG GLN 560 -14.094 -0.053 -0.541
395 HE21 GLN 560 1HE2 GLN 560 -16.200 -2.795 -1.108
396 HE22 GLN 560 2HE2 GLN 560 -17.507 -2.243 -0.124
Start of MODEL 11
1 H1 ALA 507 1HT ALA 507 -11.202 -8.894 -2.009
2 H2 ALA 507 2HT ALA 507 -12.072 -8.136 -0.739
3 H3 ALA 507 3HT ALA 507 -12.915 -8.878 -2.037
4 HA ALA 507 HA ALA 507 -13.119 -10.413 -0.426
5 HB1 ALA 507 2HB ALA 507 -11.930 -12.268 -1.175
6 HB2 ALA 507 3HB ALA 507 -10.494 -11.317 -1.553
7 HB3 ALA 507 1HB ALA 507 -11.929 -11.190 -2.571
8 H GLN 508 H GLN 508 -12.347 -8.513 1.193
9 HA GLN 508 HA GLN 508 -11.011 -9.809 3.277
10 HB2 GLN 508 2HB GLN 508 -8.989 -8.218 3.333
11 HB3 GLN 508 1HB GLN 508 -8.934 -9.598 2.246
12 HG2 GLN 508 2HG GLN 508 -10.027 -7.653 0.660
13 HG3 GLN 508 1HG GLN 508 -8.896 -6.743 1.658
14 HE21 GLN 508 1HE2 GLN 508 -6.757 -8.129 1.965
15 HE22 GLN 508 2HE2 GLN 508 -6.055 -8.646 0.472
16 HA PRO 509 HA PRO 509 -13.084 -6.194 4.971
17 HB2 PRO 509 2HB PRO 509 -14.000 -7.306 7.145
18 HB3 PRO 509 1HB PRO 509 -14.509 -7.985 5.587
19 HG2 PRO 509 2HG PRO 509 -12.365 -8.935 7.450
20 HG3 PRO 509 1HG PRO 509 -13.633 -9.886 6.651
21 HD2 PRO 509 2HD PRO 509 -11.023 -9.570 5.719
22 HD3 PRO 509 1HD PRO 509 -12.404 -10.069 4.720
23 H LYS 510 H LYS 510 -11.710 -4.657 5.629
24 HA LYS 510 HA LYS 510 -10.614 -4.759 8.289
25 HB2 LYS 510 2HB LYS 510 -8.886 -4.897 5.889
26 HB3 LYS 510 1HB LYS 510 -8.346 -3.884 7.215
27 HG2 LYS 510 2HG LYS 510 -7.989 -5.654 8.606
28 HG3 LYS 510 1HG LYS 510 -9.213 -6.655 7.824
29 HD2 LYS 510 2HD LYS 510 -6.981 -5.954 6.073
30 HD3 LYS 510 1HD LYS 510 -6.501 -6.894 7.487
31 HE2 LYS 510 2HE LYS 510 -8.787 -8.169 6.610
32 HE3 LYS 510 1HE LYS 510 -7.975 -7.709 5.114
33 HZ1 LYS 510 3HZ LYS 510 -7.389 -9.943 6.176
34 HZ2 LYS 510 1HZ LYS 510 -6.493 -9.039 7.292
35 HZ3 LYS 510 2HZ LYS 510 -6.117 -8.963 5.644
36 H CYS 511 H CYS 511 -10.655 -3.004 5.266
37 HA CYS 511 HA CYS 511 -11.209 -0.874 4.756
38 HB2 CYS 511 2HB CYS 511 -12.226 -1.030 7.516
39 HB3 CYS 511 1HB CYS 511 -11.922 0.585 6.889
40 H ASN 512 H ASN 512 -8.666 -1.495 4.955
41 HA ASN 512 HA ASN 512 -7.533 1.013 5.978
42 HB2 ASN 512 2HB ASN 512 -6.833 -0.820 7.453
43 HB3 ASN 512 1HB ASN 512 -6.192 -1.697 6.069
44 HD21 ASN 512 1HD2 ASN 512 -5.814 1.740 6.101
45 HD22 ASN 512 2HD2 ASN 512 -4.137 1.760 6.502
46 HA PRO 513 HA PRO 513 -6.093 -0.013 1.588
47 HB2 PRO 513 2HB PRO 513 -8.104 0.199 -0.091
48 HB3 PRO 513 1HB PRO 513 -8.006 -1.224 0.952
49 HG2 PRO 513 2HG PRO 513 -9.683 1.243 1.299
50 HG3 PRO 513 1HG PRO 513 -10.151 -0.453 1.470
51 HD2 PRO 513 2HD PRO 513 -9.414 1.204 3.566
52 HD3 PRO 513 1HD PRO 513 -9.379 -0.567 3.596
53 H ASN 514 H ASN 514 -8.478 1.941 0.176
54 HA ASN 514 HA ASN 514 -6.701 4.090 -0.265
55 HB2 ASN 514 2HB ASN 514 -8.813 3.061 -1.598
56 HB3 ASN 514 1HB ASN 514 -9.572 4.466 -0.846
57 HD21 ASN 514 1HD2 ASN 514 -6.501 3.678 -2.396
58 HD22 ASN 514 2HD2 ASN 514 -6.463 5.060 -3.425
59 H LEU 515 H LEU 515 -7.534 3.631 2.577
60 HA LEU 515 HA LEU 515 -8.751 6.253 3.096
61 HB2 LEU 515 2HB LEU 515 -8.823 3.708 4.710
62 HB3 LEU 515 1HB LEU 515 -9.349 5.258 5.338
63 HG LEU 515 HG LEU 515 -11.332 4.218 4.674
64 HD11 LEU 515 1HD1 LEU 515 -10.907 5.590 2.087
65 HD12 LEU 515 2HD1 LEU 515 -10.672 6.543 3.551
66 HD13 LEU 515 3HD1 LEU 515 -12.219 5.747 3.256
67 HD21 LEU 515 3HD2 LEU 515 -11.122 2.386 3.418
68 HD22 LEU 515 1HD2 LEU 515 -9.627 2.962 2.680
69 HD23 LEU 515 2HD2 LEU 515 -11.186 3.465 2.024
70 H HIS 516 H HIS 516 -6.011 4.227 3.585
71 HA HIS 516 HA HIS 516 -4.781 6.326 5.238
72 HB2 HIS 516 2HB HIS 516 -5.356 3.983 6.320
73 HB3 HIS 516 1HB HIS 516 -3.871 3.494 5.509
74 HD1 HIS 516 1HD HIS 516 -4.046 3.513 8.580
75 HD2 HIS 516 2HD HIS 516 -2.615 6.682 6.305
76 HE1 HIS 516 1HE HIS 516 -2.564 4.834 10.124
77 HE2 HIS 516 2HE HIS 516 -1.648 6.702 8.704
78 H TYR 517 H TYR 517 -4.572 4.229 2.522
79 HA TYR 517 HA TYR 517 -2.008 3.809 1.902
80 HB2 TYR 517 2HB TYR 517 -2.592 3.933 -0.419
81 HB3 TYR 517 1HB TYR 517 -4.017 3.386 0.449
82 HD1 TYR 517 1HD TYR 517 -5.574 5.446 1.264
83 HD2 TYR 517 2HD TYR 517 -2.941 5.491 -2.078
84 HE1 TYR 517 1HE TYR 517 -6.896 7.259 0.255
85 HE2 TYR 517 2HE TYR 517 -4.254 7.305 -3.095
86 HH TYR 517 HH TYR 517 -6.912 8.055 -2.775
87 H TRP 518 H TRP 518 -3.591 6.951 1.424
88 HA TRP 518 HA TRP 518 -1.376 8.334 0.392
89 HB2 TRP 518 2HB TRP 518 -2.692 10.369 1.272
90 HB3 TRP 518 1HB TRP 518 -3.497 9.335 0.093
91 HD1 TRP 518 HD TRP 518 -3.296 8.078 3.662
92 HE1 TRP 518 1HE TRP 518 -5.632 8.122 4.714
93 HE3 TRP 518 3HE TRP 518 -5.771 10.647 0.004
94 HZ2 TRP 518 2HZ TRP 518 -8.203 9.118 4.080
95 HZ3 TRP 518 3HZ TRP 518 -8.171 11.102 0.302
96 HH2 TRP 518 HH TRP 518 -9.361 10.352 2.298
97 H THR 519 H THR 519 0.395 7.664 1.766
98 HA THR 519 HA THR 519 0.920 9.531 3.851
99 HB THR 519 HB THR 519 -0.446 8.153 5.203
100 HG1 THR 519 1HG THR 519 2.189 7.247 5.677
101 HG21 THR 519 3HG2 THR 519 -0.080 6.125 3.538
102 HG22 THR 519 1HG2 THR 519 -0.643 5.916 5.197
103 HG23 THR 519 2HG2 THR 519 1.057 5.655 4.800
104 H THR 520 H THR 520 1.786 6.235 2.888
105 HA THR 520 HA THR 520 4.551 7.144 2.511
106 HB THR 520 HB THR 520 4.288 5.793 4.606
107 HG1 THR 520 1HG THR 520 5.876 4.823 2.483
108 HG21 THR 520 3HG2 THR 520 3.543 3.613 2.680
109 HG22 THR 520 1HG2 THR 520 2.608 4.208 4.051
110 HG23 THR 520 2HG2 THR 520 4.112 3.328 4.324
111 H GLN 521 H GLN 521 1.822 5.945 1.110
112 HA GLN 521 HA GLN 521 3.234 4.311 -0.827
113 HB2 GLN 521 2HB GLN 521 1.197 3.358 -1.423
114 HB3 GLN 521 1HB GLN 521 0.993 3.655 0.298
115 HG2 GLN 521 2HG GLN 521 -0.950 4.536 -0.356
116 HG3 GLN 521 1HG GLN 521 0.032 5.960 -0.680
117 HE21 GLN 521 1HE2 GLN 521 -0.275 6.837 -2.568
118 HE22 GLN 521 2HE2 GLN 521 -0.802 6.038 -4.005
119 H ASP 522 H ASP 522 1.534 7.286 -0.472
120 HA ASP 522 HA ASP 522 1.829 7.939 -3.304
121 HB2 ASP 522 2HB ASP 522 -0.181 8.496 -1.475
122 HB3 ASP 522 1HB ASP 522 0.676 10.026 -1.629
123 H GLU 523 H GLU 523 3.674 8.012 -0.710
124 HA GLU 523 HA GLU 523 5.192 10.352 -1.603
125 HB2 GLU 523 2HB GLU 523 5.238 9.709 1.299
126 HB3 GLU 523 1HB GLU 523 5.385 11.266 0.494
127 HG2 GLU 523 2HG GLU 523 2.848 10.770 -0.093
128 HG3 GLU 523 1HG GLU 523 2.966 9.800 1.376
129 H GLY 524 H GLY 524 5.012 7.160 -0.352
130 HA2 GLY 524 2HA GLY 524 7.938 6.890 -0.537
131 HA3 GLY 524 1HA GLY 524 6.927 5.928 0.536
132 H ALA 525 H ALA 525 4.825 5.679 -1.551
133 HA ALA 525 HA ALA 525 6.147 3.591 -3.139
134 HB1 ALA 525 1HB ALA 525 4.067 2.443 -3.241
135 HB2 ALA 525 2HB ALA 525 3.190 3.843 -2.620
136 HB3 ALA 525 3HB ALA 525 4.283 2.950 -1.565
137 H ALA 526 H ALA 526 5.943 6.506 -3.681
138 HA ALA 526 HA ALA 526 4.935 6.284 -6.422
139 HB1 ALA 526 1HB ALA 526 4.107 8.338 -4.407
140 HB2 ALA 526 2HB ALA 526 3.093 7.322 -5.433
141 HB3 ALA 526 3HB ALA 526 4.013 8.651 -6.141
142 H ILE 527 H ILE 527 7.407 7.143 -4.395
143 HA ILE 527 HA ILE 527 8.735 8.657 -6.511
144 HB ILE 527 HB ILE 527 9.719 9.817 -4.188
145 HG12 ILE 527 2HG1 ILE 527 7.513 8.752 -3.218
146 HG13 ILE 527 1HG1 ILE 527 8.001 10.377 -2.749
147 HG21 ILE 527 1HG2 ILE 527 8.374 11.824 -5.021
148 HG22 ILE 527 2HG2 ILE 527 7.803 10.750 -6.298
149 HG23 ILE 527 3HG2 ILE 527 9.527 11.089 -6.136
150 HD11 ILE 527 3HD1 ILE 527 6.184 10.063 -5.078
151 HD12 ILE 527 1HD1 ILE 527 6.284 11.358 -3.886
152 HD13 ILE 527 2HD1 ILE 527 5.535 9.820 -3.456
153 H GLY 528 H GLY 528 8.952 6.847 -3.490
154 HA2 GLY 528 2HA GLY 528 11.787 6.544 -3.555
155 HA3 GLY 528 1HA GLY 528 10.666 5.629 -2.558
156 H LEU 529 H LEU 529 10.831 3.519 -2.907
157 HA LEU 529 HA LEU 529 11.201 2.617 -5.686
158 HB2 LEU 529 2HB LEU 529 12.720 1.901 -3.240
159 HB3 LEU 529 1HB LEU 529 12.414 0.628 -4.403
160 HG LEU 529 HG LEU 529 13.571 1.858 -6.136
161 HD11 LEU 529 1HD1 LEU 529 14.860 3.965 -5.143
162 HD12 LEU 529 2HD1 LEU 529 13.400 4.050 -4.159
163 HD13 LEU 529 3HD1 LEU 529 13.280 4.091 -5.917
164 HD21 LEU 529 3HD2 LEU 529 14.756 0.614 -4.064
165 HD22 LEU 529 1HD2 LEU 529 15.499 2.208 -3.936
166 HD23 LEU 529 2HD2 LEU 529 15.637 1.290 -5.435
167 H ALA 530 H ALA 530 8.811 2.505 -5.499
168 HA ALA 530 HA ALA 530 7.847 0.118 -4.068
169 HB1 ALA 530 1HB ALA 530 6.117 1.463 -3.620
170 HB2 ALA 530 2HB ALA 530 5.673 1.321 -5.320
171 HB3 ALA 530 3HB ALA 530 6.673 2.669 -4.781
172 H TRP 531 H TRP 531 8.332 1.540 -7.166
173 HA TRP 531 HA TRP 531 6.946 -0.363 -8.772
174 HB2 TRP 531 2HB TRP 531 8.730 0.724 -10.485
175 HB3 TRP 531 1HB TRP 531 7.272 1.571 -9.977
176 HD1 TRP 531 HD TRP 531 10.953 1.295 -8.787
177 HE1 TRP 531 1HE TRP 531 11.648 3.577 -7.836
178 HE3 TRP 531 3HE TRP 531 6.529 3.781 -9.363
179 HZ2 TRP 531 2HZ TRP 531 10.472 6.123 -7.405
180 HZ3 TRP 531 3HZ TRP 531 6.391 6.133 -8.655
181 HH2 TRP 531 HH TRP 531 8.318 7.278 -7.693
182 H ILE 532 H ILE 532 9.918 -0.368 -7.109
183 HA ILE 532 HA ILE 532 10.944 -2.600 -8.727
184 HB ILE 532 HB ILE 532 12.420 -0.711 -8.770
185 HG12 ILE 532 2HG1 ILE 532 13.475 -2.781 -6.830
186 HG13 ILE 532 1HG1 ILE 532 13.533 -2.882 -8.591
187 HG21 ILE 532 1HG2 ILE 532 13.359 -0.280 -6.217
188 HG22 ILE 532 2HG2 ILE 532 11.622 -0.473 -5.987
189 HG23 ILE 532 3HG2 ILE 532 12.233 0.748 -7.102
190 HD11 ILE 532 3HD1 ILE 532 14.681 -0.419 -7.666
191 HD12 ILE 532 1HD1 ILE 532 15.395 -1.691 -8.660
192 HD13 ILE 532 2HD1 ILE 532 15.457 -1.809 -6.900
193 HA PRO 533 HA PRO 533 9.670 -4.475 -4.660
194 HB2 PRO 533 2HB PRO 533 9.393 -6.855 -6.381
195 HB3 PRO 533 1HB PRO 533 8.234 -6.145 -5.254
196 HG2 PRO 533 2HG PRO 533 7.896 -5.970 -7.908
197 HG3 PRO 533 1HG PRO 533 7.424 -4.652 -6.819
198 HD2 PRO 533 2HD PRO 533 9.847 -4.897 -8.562
199 HD3 PRO 533 1HD PRO 533 8.827 -3.479 -8.240
200 H TYR 534 H TYR 534 11.839 -4.342 -3.929
201 HA TYR 534 HA TYR 534 13.528 -6.634 -4.677
202 HB2 TYR 534 2HB TYR 534 14.610 -4.620 -5.365
203 HB3 TYR 534 1HB TYR 534 14.266 -3.832 -3.831
204 HD1 TYR 534 1HD TYR 534 15.515 -7.287 -4.099
205 HD2 TYR 534 2HD TYR 534 16.516 -3.227 -3.336
206 HE1 TYR 534 1HE TYR 534 17.713 -7.997 -3.249
207 HE2 TYR 534 2HE TYR 534 18.717 -3.920 -2.484
208 HH TYR 534 HH TYR 534 19.473 -7.155 -1.764
209 H PHE 535 H PHE 535 12.346 -4.639 -2.016
210 HA PHE 535 HA PHE 535 13.280 -6.723 -0.150
211 HB2 PHE 535 2HB PHE 535 12.922 -4.549 1.464
212 HB3 PHE 535 1HB PHE 535 14.465 -5.040 0.776
213 HD1 PHE 535 1HD PHE 535 15.036 -4.046 -1.556
214 HD2 PHE 535 2HD PHE 535 12.133 -2.414 1.092
215 HE1 PHE 535 1HE PHE 535 15.216 -1.877 -2.704
216 HE2 PHE 535 2HE PHE 535 12.307 -0.242 -0.049
217 HZ PHE 535 HZ PHE 535 13.850 0.028 -1.951
218 H GLY 536 H GLY 536 10.706 -4.406 -0.883
219 HA2 GLY 536 2HA GLY 536 8.501 -4.334 -0.249
220 HA3 GLY 536 1HA GLY 536 8.602 -6.088 -0.247
221 HA PRO 537 HA PRO 537 7.450 -5.906 4.050
222 HB2 PRO 537 2HB PRO 537 9.040 -8.418 4.209
223 HB3 PRO 537 1HB PRO 537 7.384 -8.100 4.733
224 HG2 PRO 537 2HG PRO 537 7.855 -9.497 2.520
225 HG3 PRO 537 1HG PRO 537 6.520 -8.331 2.592
226 HD2 PRO 537 2HD PRO 537 9.187 -8.080 1.271
227 HD3 PRO 537 1HD PRO 537 7.602 -7.486 0.738
228 H ALA 538 H ALA 538 10.701 -6.162 2.899
229 HA ALA 538 HA ALA 538 12.025 -5.987 5.412
230 HB1 ALA 538 1HB ALA 538 12.772 -6.159 2.637
231 HB2 ALA 538 2HB ALA 538 13.695 -6.593 4.075
232 HB3 ALA 538 3HB ALA 538 13.738 -4.938 3.466
233 H ALA 539 H ALA 539 10.613 -3.698 3.225
234 HA ALA 539 HA ALA 539 11.890 -1.407 4.465
235 HB1 ALA 539 1HB ALA 539 10.039 -0.293 2.907
236 HB2 ALA 539 2HB ALA 539 10.141 -1.871 2.128
237 HB3 ALA 539 3HB ALA 539 11.584 -0.869 2.281
238 H GLU 540 H GLU 540 9.244 -3.388 4.997
239 HA GLU 540 HA GLU 540 7.113 -1.975 5.761
240 HB2 GLU 540 2HB GLU 540 6.517 -3.766 7.145
241 HB3 GLU 540 1HB GLU 540 7.576 -4.461 5.921
242 HG2 GLU 540 2HG GLU 540 9.452 -4.240 7.585
243 HG3 GLU 540 1HG GLU 540 8.224 -3.856 8.792
244 H GLY 541 H GLY 541 7.055 -0.060 6.722
245 HA2 GLY 541 2HA GLY 541 6.848 1.106 8.779
246 HA3 GLY 541 1HA GLY 541 8.156 0.141 9.430
247 H ILE 542 H ILE 542 9.370 0.913 6.554
248 HA ILE 542 HA ILE 542 10.658 3.311 7.647
249 HB ILE 542 HB ILE 542 11.603 1.732 5.268
250 HG12 ILE 542 2HG1 ILE 542 13.053 1.308 7.771
251 HG13 ILE 542 1HG1 ILE 542 11.396 0.711 7.833
252 HG21 ILE 542 1HG2 ILE 542 12.501 3.995 5.537
253 HG22 ILE 542 2HG2 ILE 542 13.746 2.768 5.769
254 HG23 ILE 542 3HG2 ILE 542 13.040 3.584 7.165
255 HD11 ILE 542 3HD1 ILE 542 12.856 0.008 5.401
256 HD12 ILE 542 1HD1 ILE 542 11.820 -0.971 6.437
257 HD13 ILE 542 2HD1 ILE 542 13.501 -0.688 6.889
258 H TYR 543 H TYR 543 8.868 2.131 4.869
259 HA TYR 543 HA TYR 543 7.819 4.606 4.182
260 HB2 TYR 543 2HB TYR 543 9.260 4.769 1.918
261 HB3 TYR 543 1HB TYR 543 9.681 5.638 3.389
262 HD1 TYR 543 1HD TYR 543 10.158 2.002 2.811
263 HD2 TYR 543 2HD TYR 543 12.014 5.821 3.091
264 HE1 TYR 543 1HE TYR 543 12.366 0.922 2.814
265 HE2 TYR 543 2HE TYR 543 14.228 4.750 3.094
266 HH TYR 543 HH TYR 543 14.851 1.817 3.831
267 H ILE 544 H ILE 544 9.134 2.987 1.414
268 HA ILE 544 HA ILE 544 6.721 2.483 0.202
269 HB ILE 544 HB ILE 544 9.126 0.722 -0.220
270 HG12 ILE 544 2HG1 ILE 544 9.200 2.850 -2.058
271 HG13 ILE 544 1HG1 ILE 544 8.931 3.593 -0.485
272 HG21 ILE 544 1HG2 ILE 544 6.620 0.880 -1.455
273 HG22 ILE 544 2HG2 ILE 544 8.036 -0.019 -2.004
274 HG23 ILE 544 3HG2 ILE 544 7.760 1.625 -2.574
275 HD11 ILE 544 3HD1 ILE 544 11.284 2.151 -1.524
276 HD12 ILE 544 1HD1 ILE 544 10.891 1.915 0.179
277 HD13 ILE 544 2HD1 ILE 544 11.183 3.540 -0.442
278 H GLU 545 H GLU 545 8.764 -0.147 1.449
279 HA GLU 545 HA GLU 545 8.271 -2.080 2.536
280 HB2 GLU 545 2HB GLU 545 5.453 -1.182 3.005
281 HB3 GLU 545 1HB GLU 545 6.486 -2.173 4.022
282 HG2 GLU 545 2HG GLU 545 7.552 -0.366 4.943
283 HG3 GLU 545 1HG GLU 545 7.268 0.657 3.543
284 H GLY 546 H GLY 546 6.764 -4.012 2.429
285 HA2 GLY 546 2HA GLY 546 6.273 -4.615 -0.316
286 HA3 GLY 546 1HA GLY 546 5.917 -5.656 1.055
287 H LEU 547 H LEU 547 4.756 -2.707 -0.539
288 HA LEU 547 HA LEU 547 2.007 -3.678 -0.204
289 HB2 LEU 547 2HB LEU 547 1.318 -1.345 0.371
290 HB3 LEU 547 1HB LEU 547 2.273 -2.148 1.606
291 HG LEU 547 HG LEU 547 4.288 -0.938 0.586
292 HD11 LEU 547 1HD1 LEU 547 3.518 1.303 -0.422
293 HD12 LEU 547 2HD1 LEU 547 2.016 0.447 -0.784
294 HD13 LEU 547 3HD1 LEU 547 3.541 -0.127 -1.457
295 HD21 LEU 547 3HD2 LEU 547 3.173 1.310 1.678
296 HD22 LEU 547 1HD2 LEU 547 3.945 0.006 2.580
297 HD23 LEU 547 2HD2 LEU 547 2.193 0.021 2.377
298 H MET 548 H MET 548 3.556 -3.812 -2.536
299 HA MET 548 HA MET 548 3.166 -1.589 -4.242
300 HB2 MET 548 2HB MET 548 3.414 -4.424 -5.181
301 HB3 MET 548 1HB MET 548 3.921 -2.955 -5.996
302 HG2 MET 548 2HG MET 548 5.944 -3.132 -5.125
303 HG3 MET 548 1HG MET 548 5.269 -3.109 -3.497
304 HE1 MET 548 3HE MET 548 5.864 -6.326 -2.083
305 HE2 MET 548 1HE MET 548 4.192 -5.985 -2.529
306 HE3 MET 548 2HE MET 548 5.246 -4.675 -1.998
307 H HIS 549 H HIS 549 0.739 -2.251 -2.902
308 HA HIS 549 HA HIS 549 -0.962 -3.058 -5.163
309 HB2 HIS 549 2HB HIS 549 -1.932 -2.991 -2.323
310 HB3 HIS 549 1HB HIS 549 -2.527 -3.949 -3.674
311 HD1 HIS 549 1HD HIS 549 -0.925 -4.474 -0.634
312 HD2 HIS 549 2HD HIS 549 -0.142 -5.791 -4.497
313 HE1 HIS 549 1HE HIS 549 0.518 -6.516 -0.369
314 HE2 HIS 549 2HE HIS 549 0.896 -7.352 -2.716
315 H ASN 550 H ASN 550 0.042 -0.548 -3.148
316 HA ASN 550 HA ASN 550 -0.490 1.647 -2.998
317 HB2 ASN 550 2HB ASN 550 -2.315 1.107 -5.344
318 HB3 ASN 550 1HB ASN 550 -1.769 2.690 -4.797
319 HD21 ASN 550 1HD2 ASN 550 0.902 1.990 -4.206
320 HD22 ASN 550 2HD2 ASN 550 1.715 1.671 -5.693
321 H GLN 551 H GLN 551 -3.446 -0.260 -3.572
322 HA GLN 551 HA GLN 551 -5.209 -0.559 -2.140
323 HB2 GLN 551 2HB GLN 551 -4.350 1.910 -0.645
324 HB3 GLN 551 1HB GLN 551 -5.523 0.709 -0.144
325 HG2 GLN 551 2HG GLN 551 -3.595 -0.959 -0.234
326 HG3 GLN 551 1HG GLN 551 -2.547 0.458 -0.281
327 HE21 GLN 551 1HE2 GLN 551 -3.173 -1.734 1.743
328 HE22 GLN 551 2HE2 GLN 551 -3.429 -0.868 3.216
329 H ASP 552 H ASP 552 -7.174 -0.071 -2.719
330 HA ASP 552 HA ASP 552 -8.030 2.609 -3.302
331 HB2 ASP 552 2HB ASP 552 -6.819 1.485 -5.396
332 HB3 ASP 552 1HB ASP 552 -8.414 0.771 -5.612
333 H GLY 553 H GLY 553 -9.075 1.181 -1.360
334 HA2 GLY 553 2HA GLY 553 -11.101 0.502 -0.519
335 HA3 GLY 553 1HA GLY 553 -11.804 0.910 -2.075
336 H LEU 554 H LEU 554 -9.366 -1.518 -1.148
337 HA LEU 554 HA LEU 554 -11.072 -3.546 -2.431
338 HB2 LEU 554 2HB LEU 554 -8.115 -3.756 -1.905
339 HB3 LEU 554 1HB LEU 554 -9.096 -4.802 -2.911
340 HG LEU 554 HG LEU 554 -8.319 -1.945 -3.483
341 HD11 LEU 554 1HD1 LEU 554 -6.523 -3.050 -4.265
342 HD12 LEU 554 2HD1 LEU 554 -7.586 -3.413 -5.625
343 HD13 LEU 554 3HD1 LEU 554 -7.370 -4.595 -4.335
344 HD21 LEU 554 3HD2 LEU 554 -9.560 -2.192 -5.576
345 HD22 LEU 554 1HD2 LEU 554 -10.627 -2.323 -4.177
346 HD23 LEU 554 2HD2 LEU 554 -10.135 -3.774 -5.050
347 H ILE 555 H ILE 555 -9.425 -2.671 0.501
348 HA ILE 555 HA ILE 555 -10.067 -5.274 1.690
349 HB ILE 555 HB ILE 555 -8.499 -3.167 3.129
350 HG12 ILE 555 2HG1 ILE 555 -6.753 -5.040 1.809
351 HG13 ILE 555 1HG1 ILE 555 -7.727 -4.200 0.608
352 HG21 ILE 555 1HG2 ILE 555 -7.712 -4.900 4.420
353 HG22 ILE 555 2HG2 ILE 555 -7.968 -6.102 3.158
354 HG23 ILE 555 3HG2 ILE 555 -9.345 -5.453 4.047
355 HD11 ILE 555 3HD1 ILE 555 -5.445 -3.281 2.033
356 HD12 ILE 555 1HD1 ILE 555 -6.824 -2.256 2.430
357 HD13 ILE 555 2HD1 ILE 555 -6.350 -2.483 0.747
358 H CYS 556 H CYS 556 -11.039 -1.987 1.685
359 HA CYS 556 HA CYS 556 -12.294 -1.975 4.242
360 HB2 CYS 556 2HB CYS 556 -11.460 0.058 2.958
361 HB3 CYS 556 1HB CYS 556 -12.886 -0.110 1.947
362 H GLY 557 H GLY 557 -13.086 -3.709 1.612
363 HA2 GLY 557 2HA GLY 557 -15.633 -4.374 2.558
364 HA3 GLY 557 1HA GLY 557 -15.811 -3.236 1.227
365 H LEU 558 H LEU 558 -16.311 -4.276 -0.538
366 HA LEU 558 HA LEU 558 -14.611 -6.429 -1.457
367 HB2 LEU 558 2HB LEU 558 -17.387 -7.180 -1.846
368 HB3 LEU 558 1HB LEU 558 -16.039 -8.130 -1.254
369 HG LEU 558 HG LEU 558 -17.424 -6.174 0.553
370 HD11 LEU 558 1HD1 LEU 558 -18.802 -8.117 1.331
371 HD12 LEU 558 2HD1 LEU 558 -18.311 -8.962 -0.137
372 HD13 LEU 558 3HD1 LEU 558 -19.240 -7.467 -0.250
373 HD21 LEU 558 3HD2 LEU 558 -15.293 -8.056 0.798
374 HD22 LEU 558 1HD2 LEU 558 -16.630 -8.575 1.824
375 HD23 LEU 558 2HD2 LEU 558 -15.944 -6.959 2.016
376 H ARG 559 H ARG 559 -17.293 -4.228 -2.029
377 HA ARG 559 HA ARG 559 -16.498 -4.103 -4.851
378 HB2 ARG 559 2HB ARG 559 -19.045 -3.611 -5.222
379 HB3 ARG 559 1HB ARG 559 -18.468 -5.269 -5.131
380 HG2 ARG 559 2HG ARG 559 -19.572 -5.688 -3.219
381 HG3 ARG 559 1HG ARG 559 -19.261 -4.079 -2.563
382 HD2 ARG 559 2HD ARG 559 -21.419 -3.672 -2.963
383 HD3 ARG 559 1HD ARG 559 -20.959 -3.567 -4.661
384 HE ARG 559 HE ARG 559 -22.005 -5.572 -5.041
385 HH11 ARG 559 1HH1 ARG 559 -21.643 -5.104 -1.601
386 HH12 ARG 559 2HH1 ARG 559 -22.641 -6.457 -1.186
387 HH21 ARG 559 1HH2 ARG 559 -23.316 -7.352 -4.497
388 HH22 ARG 559 2HH2 ARG 559 -23.588 -7.736 -2.830
389 H GLN 560 H GLN 560 -15.558 -2.379 -2.903
390 HA GLN 560 HA GLN 560 -16.983 -0.080 -2.359
391 HB2 GLN 560 2HB GLN 560 -14.036 -0.396 -2.953
392 HB3 GLN 560 1HB GLN 560 -14.747 1.087 -2.339
393 HG2 GLN 560 2HG GLN 560 -14.194 -1.472 -0.965
394 HG3 GLN 560 1HG GLN 560 -14.047 0.186 -0.383
395 HE21 GLN 560 1HE2 GLN 560 -16.294 -2.426 -1.028
396 HE22 GLN 560 2HE2 GLN 560 -17.526 -1.893 0.058
Start of MODEL 12
1 H1 ALA 507 1HT ALA 507 -10.150 -11.557 -0.442
2 H2 ALA 507 2HT ALA 507 -11.598 -12.082 -1.201
3 H3 ALA 507 3HT ALA 507 -11.158 -12.703 0.337
4 HA ALA 507 HA ALA 507 -11.723 -9.873 -0.212
5 HB1 ALA 507 2HB ALA 507 -13.511 -12.152 0.399
6 HB2 ALA 507 3HB ALA 507 -13.823 -10.673 -0.509
7 HB3 ALA 507 1HB ALA 507 -13.813 -10.639 1.254
8 H GLN 508 H GLN 508 -12.077 -8.674 1.762
9 HA GLN 508 HA GLN 508 -11.610 -9.694 4.334
10 HB2 GLN 508 2HB GLN 508 -9.354 -8.926 4.780
11 HB3 GLN 508 1HB GLN 508 -9.332 -10.067 3.443
12 HG2 GLN 508 2HG GLN 508 -9.271 -8.137 1.876
13 HG3 GLN 508 1HG GLN 508 -9.125 -7.070 3.273
14 HE21 GLN 508 1HE2 GLN 508 -7.216 -7.039 1.340
15 HE22 GLN 508 2HE2 GLN 508 -5.750 -7.726 1.941
16 HA PRO 509 HA PRO 509 -13.061 -5.462 4.735
17 HB2 PRO 509 2HB PRO 509 -14.543 -5.795 6.889
18 HB3 PRO 509 1HB PRO 509 -14.982 -6.629 5.391
19 HG2 PRO 509 2HG PRO 509 -13.630 -7.694 7.827
20 HG3 PRO 509 1HG PRO 509 -14.845 -8.467 6.794
21 HD2 PRO 509 2HD PRO 509 -12.051 -8.827 6.655
22 HD3 PRO 509 1HD PRO 509 -13.238 -9.341 5.440
23 H LYS 510 H LYS 510 -12.424 -3.719 5.856
24 HA LYS 510 HA LYS 510 -11.523 -3.525 8.463
25 HB2 LYS 510 2HB LYS 510 -9.438 -4.227 6.488
26 HB3 LYS 510 1HB LYS 510 -9.029 -2.990 7.670
27 HG2 LYS 510 2HG LYS 510 -8.745 -4.502 9.259
28 HG3 LYS 510 1HG LYS 510 -10.325 -5.213 8.929
29 HD2 LYS 510 2HD LYS 510 -8.706 -6.927 8.593
30 HD3 LYS 510 1HD LYS 510 -9.268 -6.424 6.998
31 HE2 LYS 510 2HE LYS 510 -7.108 -6.216 6.477
32 HE3 LYS 510 1HE LYS 510 -7.143 -4.746 7.451
33 HZ1 LYS 510 3HZ LYS 510 -6.699 -6.469 9.364
34 HZ2 LYS 510 1HZ LYS 510 -5.430 -5.843 8.436
35 HZ3 LYS 510 2HZ LYS 510 -6.046 -7.381 8.098
36 H CYS 511 H CYS 511 -10.726 -2.316 5.276
37 HA CYS 511 HA CYS 511 -11.082 -0.297 4.300
38 HB2 CYS 511 2HB CYS 511 -12.297 0.431 6.949
39 HB3 CYS 511 1HB CYS 511 -12.121 1.588 5.636
40 H ASN 512 H ASN 512 -8.636 -1.036 5.159
41 HA ASN 512 HA ASN 512 -7.482 1.479 6.133
42 HB2 ASN 512 2HB ASN 512 -6.883 -0.426 7.506
43 HB3 ASN 512 1HB ASN 512 -6.299 -1.300 6.095
44 HD21 ASN 512 1HD2 ASN 512 -5.739 2.125 6.571
45 HD22 ASN 512 2HD2 ASN 512 -4.040 2.000 6.846
46 HA PRO 513 HA PRO 513 -5.444 0.408 1.889
47 HB2 PRO 513 2HB PRO 513 -7.276 0.285 -0.098
48 HB3 PRO 513 1HB PRO 513 -6.701 -1.139 0.764
49 HG2 PRO 513 2HG PRO 513 -9.254 0.357 1.076
50 HG3 PRO 513 1HG PRO 513 -8.946 -1.375 1.205
51 HD2 PRO 513 2HD PRO 513 -9.251 0.326 3.339
52 HD3 PRO 513 1HD PRO 513 -8.409 -1.233 3.396
53 H ASN 514 H ASN 514 -8.405 1.870 0.657
54 HA ASN 514 HA ASN 514 -6.975 4.219 -0.113
55 HB2 ASN 514 2HB ASN 514 -8.807 4.722 -1.448
56 HB3 ASN 514 1HB ASN 514 -8.867 2.963 -1.369
57 HD21 ASN 514 1HD2 ASN 514 -10.338 2.017 0.207
58 HD22 ASN 514 2HD2 ASN 514 -11.814 2.838 0.568
59 H LEU 515 H LEU 515 -7.630 3.555 2.826
60 HA LEU 515 HA LEU 515 -8.698 6.211 3.488
61 HB2 LEU 515 2HB LEU 515 -9.112 3.698 5.107
62 HB3 LEU 515 1HB LEU 515 -9.783 5.282 5.440
63 HG LEU 515 HG LEU 515 -11.580 4.106 4.540
64 HD11 LEU 515 1HD1 LEU 515 -10.661 6.278 3.219
65 HD12 LEU 515 2HD1 LEU 515 -12.196 5.479 2.875
66 HD13 LEU 515 3HD1 LEU 515 -10.772 5.110 1.903
67 HD21 LEU 515 3HD2 LEU 515 -10.139 2.189 3.769
68 HD22 LEU 515 1HD2 LEU 515 -9.878 3.089 2.276
69 HD23 LEU 515 2HD2 LEU 515 -11.506 2.578 2.723
70 H HIS 516 H HIS 516 -5.940 5.341 3.128
71 HA HIS 516 HA HIS 516 -4.754 6.577 5.338
72 HB2 HIS 516 2HB HIS 516 -5.494 4.224 6.233
73 HB3 HIS 516 1HB HIS 516 -4.063 3.665 5.375
74 HD1 HIS 516 1HD HIS 516 -4.215 3.433 8.425
75 HD2 HIS 516 2HD HIS 516 -2.532 6.665 6.429
76 HE1 HIS 516 1HE HIS 516 -2.619 4.477 10.063
77 HE2 HIS 516 2HE HIS 516 -1.545 6.375 8.801
78 H TYR 517 H TYR 517 -4.380 4.260 2.733
79 HA TYR 517 HA TYR 517 -1.769 4.056 2.211
80 HB2 TYR 517 2HB TYR 517 -2.260 3.828 -0.107
81 HB3 TYR 517 1HB TYR 517 -3.675 3.269 0.767
82 HD1 TYR 517 1HD TYR 517 -5.410 5.302 1.267
83 HD2 TYR 517 2HD TYR 517 -2.685 5.093 -1.991
84 HE1 TYR 517 1HE TYR 517 -6.832 6.849 -0.011
85 HE2 TYR 517 2HE TYR 517 -4.096 6.641 -3.279
86 HH TYR 517 HH TYR 517 -7.265 7.469 -2.321
87 H TRP 518 H TRP 518 -3.641 6.968 1.455
88 HA TRP 518 HA TRP 518 -1.570 8.438 0.239
89 HB2 TRP 518 2HB TRP 518 -3.038 10.432 0.998
90 HB3 TRP 518 1HB TRP 518 -3.750 9.263 -0.112
91 HD1 TRP 518 HD TRP 518 -3.470 8.356 3.572
92 HE1 TRP 518 1HE TRP 518 -5.821 8.253 4.594
93 HE3 TRP 518 3HE TRP 518 -6.131 10.267 -0.349
94 HZ2 TRP 518 2HZ TRP 518 -8.469 8.901 3.839
95 HZ3 TRP 518 3HZ TRP 518 -8.571 10.491 -0.120
96 HH2 TRP 518 HH TRP 518 -9.715 9.821 1.931
97 H THR 519 H THR 519 0.239 7.948 1.664
98 HA THR 519 HA THR 519 0.721 10.022 3.556
99 HB THR 519 HB THR 519 -0.650 8.725 5.007
100 HG1 THR 519 1HG THR 519 2.025 8.035 5.623
101 HG21 THR 519 3HG2 THR 519 -0.160 6.566 3.575
102 HG22 THR 519 1HG2 THR 519 -0.704 6.484 5.253
103 HG23 THR 519 2HG2 THR 519 1.008 6.290 4.867
104 H THR 520 H THR 520 1.638 6.665 2.875
105 HA THR 520 HA THR 520 4.418 7.557 2.557
106 HB THR 520 HB THR 520 4.072 6.204 4.625
107 HG1 THR 520 1HG THR 520 5.665 5.160 2.540
108 HG21 THR 520 3HG2 THR 520 2.725 4.416 2.791
109 HG22 THR 520 1HG2 THR 520 2.701 4.466 4.553
110 HG23 THR 520 2HG2 THR 520 3.994 3.610 3.713
111 H GLN 521 H GLN 521 1.715 6.337 1.073
112 HA GLN 521 HA GLN 521 3.175 4.712 -0.827
113 HB2 GLN 521 2HB GLN 521 1.186 3.727 -1.398
114 HB3 GLN 521 1HB GLN 521 0.790 4.234 0.237
115 HG2 GLN 521 2HG GLN 521 -1.056 4.860 -1.009
116 HG3 GLN 521 1HG GLN 521 -0.139 6.354 -0.842
117 HE21 GLN 521 1HE2 GLN 521 -0.614 7.433 -2.624
118 HE22 GLN 521 2HE2 GLN 521 -0.388 6.856 -4.236
119 H ASP 522 H ASP 522 1.339 7.654 -0.611
120 HA ASP 522 HA ASP 522 1.775 8.326 -3.396
121 HB2 ASP 522 2HB ASP 522 -0.150 9.018 -1.510
122 HB3 ASP 522 1HB ASP 522 0.784 10.492 -1.734
123 H GLU 523 H GLU 523 3.687 8.283 -0.856
124 HA GLU 523 HA GLU 523 5.301 10.549 -1.764
125 HB2 GLU 523 2HB GLU 523 5.351 9.871 1.132
126 HB3 GLU 523 1HB GLU 523 5.576 11.426 0.340
127 HG2 GLU 523 2HG GLU 523 3.037 11.140 -0.239
128 HG3 GLU 523 1HG GLU 523 3.062 10.057 1.155
129 H GLY 524 H GLY 524 4.983 7.353 -0.559
130 HA2 GLY 524 2HA GLY 524 7.887 6.935 -0.826
131 HA3 GLY 524 1HA GLY 524 6.874 6.036 0.296
132 H ALA 525 H ALA 525 4.677 5.874 -1.704
133 HA ALA 525 HA ALA 525 5.810 3.675 -3.282
134 HB1 ALA 525 1HB ALA 525 3.595 2.756 -3.396
135 HB2 ALA 525 2HB ALA 525 2.899 4.221 -2.701
136 HB3 ALA 525 3HB ALA 525 3.925 3.181 -1.716
137 H ALA 526 H ALA 526 5.822 6.606 -3.844
138 HA ALA 526 HA ALA 526 4.823 6.439 -6.595
139 HB1 ALA 526 1HB ALA 526 4.134 8.897 -6.302
140 HB2 ALA 526 2HB ALA 526 4.154 8.541 -4.573
141 HB3 ALA 526 3HB ALA 526 3.076 7.646 -5.648
142 H ILE 527 H ILE 527 7.360 7.058 -4.570
143 HA ILE 527 HA ILE 527 8.852 8.388 -6.683
144 HB ILE 527 HB ILE 527 9.838 9.689 -4.478
145 HG12 ILE 527 2HG1 ILE 527 7.571 8.738 -3.430
146 HG13 ILE 527 1HG1 ILE 527 8.212 10.318 -2.993
147 HG21 ILE 527 1HG2 ILE 527 7.775 10.628 -6.460
148 HG22 ILE 527 2HG2 ILE 527 9.528 10.694 -6.637
149 HG23 ILE 527 3HG2 ILE 527 8.727 11.687 -5.420
150 HD11 ILE 527 3HD1 ILE 527 6.581 11.443 -4.157
151 HD12 ILE 527 1HD1 ILE 527 5.697 10.026 -3.586
152 HD13 ILE 527 2HD1 ILE 527 6.279 10.093 -5.252
153 H GLY 528 H GLY 528 8.849 6.809 -3.517
154 HA2 GLY 528 2HA GLY 528 11.649 6.365 -3.398
155 HA3 GLY 528 1HA GLY 528 10.431 5.529 -2.449
156 H LEU 529 H LEU 529 10.925 3.424 -2.641
157 HA LEU 529 HA LEU 529 11.239 2.388 -5.382
158 HB2 LEU 529 2HB LEU 529 12.430 0.740 -3.285
159 HB3 LEU 529 1HB LEU 529 13.065 1.219 -4.843
160 HG LEU 529 HG LEU 529 13.120 2.892 -2.336
161 HD11 LEU 529 1HD1 LEU 529 15.582 2.579 -2.571
162 HD12 LEU 529 2HD1 LEU 529 15.258 1.378 -3.821
163 HD13 LEU 529 3HD1 LEU 529 14.698 1.106 -2.170
164 HD21 LEU 529 3HD2 LEU 529 13.616 4.663 -3.583
165 HD22 LEU 529 1HD2 LEU 529 13.132 3.727 -4.997
166 HD23 LEU 529 2HD2 LEU 529 14.823 3.758 -4.496
167 H ALA 530 H ALA 530 8.928 2.108 -5.338
168 HA ALA 530 HA ALA 530 7.994 -0.195 -3.746
169 HB1 ALA 530 1HB ALA 530 5.845 0.964 -5.166
170 HB2 ALA 530 2HB ALA 530 6.780 2.290 -4.477
171 HB3 ALA 530 3HB ALA 530 6.152 1.018 -3.430
172 H TRP 531 H TRP 531 8.428 1.107 -6.908
173 HA TRP 531 HA TRP 531 7.126 -0.916 -8.429
174 HB2 TRP 531 2HB TRP 531 8.866 0.177 -10.183
175 HB3 TRP 531 1HB TRP 531 7.375 0.984 -9.705
176 HD1 TRP 531 HD TRP 531 11.038 0.874 -8.431
177 HE1 TRP 531 1HE TRP 531 11.652 3.219 -7.588
178 HE3 TRP 531 3HE TRP 531 6.577 3.217 -9.268
179 HZ2 TRP 531 2HZ TRP 531 10.407 5.756 -7.334
180 HZ3 TRP 531 3HZ TRP 531 6.365 5.600 -8.696
181 HH2 TRP 531 HH TRP 531 8.237 6.844 -7.745
182 H ILE 532 H ILE 532 10.155 -0.651 -6.850
183 HA ILE 532 HA ILE 532 11.420 -2.708 -8.469
184 HB ILE 532 HB ILE 532 12.702 -0.732 -7.804
185 HG12 ILE 532 2HG1 ILE 532 14.092 -2.800 -6.234
186 HG13 ILE 532 1HG1 ILE 532 13.572 -3.301 -7.844
187 HG21 ILE 532 1HG2 ILE 532 12.193 -1.709 -5.009
188 HG22 ILE 532 2HG2 ILE 532 11.765 -0.150 -5.714
189 HG23 ILE 532 3HG2 ILE 532 13.457 -0.556 -5.426
190 HD11 ILE 532 3HD1 ILE 532 15.261 -2.213 -8.760
191 HD12 ILE 532 1HD1 ILE 532 15.838 -1.802 -7.144
192 HD13 ILE 532 2HD1 ILE 532 14.744 -0.707 -7.994
193 HA PRO 533 HA PRO 533 10.102 -5.704 -5.377
194 HB2 PRO 533 2HB PRO 533 10.477 -7.899 -6.841
195 HB3 PRO 533 1HB PRO 533 9.170 -6.771 -7.220
196 HG2 PRO 533 2HG PRO 533 11.824 -7.111 -8.547
197 HG3 PRO 533 1HG PRO 533 10.239 -6.789 -9.273
198 HD2 PRO 533 2HD PRO 533 12.196 -4.877 -8.756
199 HD3 PRO 533 1HD PRO 533 10.477 -4.538 -9.032
200 H TYR 534 H TYR 534 12.255 -4.827 -4.366
201 HA TYR 534 HA TYR 534 14.396 -6.807 -4.603
202 HB2 TYR 534 2HB TYR 534 14.934 -4.377 -4.854
203 HB3 TYR 534 1HB TYR 534 14.446 -4.142 -3.179
204 HD1 TYR 534 2HD TYR 534 16.303 -7.087 -4.408
205 HD2 TYR 534 1HD TYR 534 16.534 -3.375 -2.352
206 HE1 TYR 534 2HE TYR 534 18.583 -7.647 -3.669
207 HE2 TYR 534 1HE TYR 534 18.811 -3.918 -1.607
208 HH TYR 534 HH TYR 534 20.728 -5.480 -2.530
209 H PHE 535 H PHE 535 12.659 -5.015 -2.050
210 HA PHE 535 HA PHE 535 13.151 -7.305 -0.257
211 HB2 PHE 535 2HB PHE 535 12.635 -5.354 1.506
212 HB3 PHE 535 1HB PHE 535 14.256 -5.678 0.902
213 HD1 PHE 535 2HD PHE 535 15.093 -4.304 -1.056
214 HD2 PHE 535 1HD PHE 535 11.634 -3.274 1.193
215 HE1 PHE 535 2HE PHE 535 15.247 -1.996 -1.892
216 HE2 PHE 535 1HE PHE 535 11.777 -0.961 0.363
217 HZ PHE 535 HZ PHE 535 13.587 -0.319 -1.181
218 H GLY 536 H GLY 536 10.836 -4.817 -1.224
219 HA2 GLY 536 2HA GLY 536 8.553 -4.723 -1.071
220 HA3 GLY 536 1HA GLY 536 8.602 -6.476 -1.075
221 HA PRO 537 HA PRO 537 6.701 -6.208 2.946
222 HB2 PRO 537 2HB PRO 537 7.844 -8.910 3.351
223 HB3 PRO 537 1HB PRO 537 6.164 -8.372 3.443
224 HG2 PRO 537 2HG PRO 537 7.028 -9.828 1.381
225 HG3 PRO 537 1HG PRO 537 5.851 -8.521 1.154
226 HD2 PRO 537 2HD PRO 537 8.788 -8.549 0.582
227 HD3 PRO 537 1HD PRO 537 7.462 -7.832 -0.357
228 H ALA 538 H ALA 538 10.041 -6.587 2.382
229 HA ALA 538 HA ALA 538 10.848 -6.788 5.131
230 HB1 ALA 538 1HB ALA 538 12.796 -7.375 4.241
231 HB2 ALA 538 2HB ALA 538 12.940 -5.821 3.420
232 HB3 ALA 538 3HB ALA 538 12.086 -7.154 2.642
233 H ALA 539 H ALA 539 9.889 -4.264 3.041
234 HA ALA 539 HA ALA 539 11.223 -2.215 4.648
235 HB1 ALA 539 1HB ALA 539 9.989 -2.288 1.951
236 HB2 ALA 539 2HB ALA 539 11.519 -1.579 2.474
237 HB3 ALA 539 3HB ALA 539 9.998 -0.756 2.823
238 H GLU 540 H GLU 540 8.282 -3.819 4.272
239 HA GLU 540 HA GLU 540 6.240 -2.142 4.710
240 HB2 GLU 540 2HB GLU 540 6.843 -4.888 5.277
241 HB3 GLU 540 1HB GLU 540 5.770 -4.231 6.509
242 HG2 GLU 540 2HG GLU 540 4.409 -3.344 4.496
243 HG3 GLU 540 1HG GLU 540 5.322 -4.537 3.573
244 H GLY 541 H GLY 541 6.299 -0.348 5.921
245 HA2 GLY 541 2HA GLY 541 5.617 0.434 8.109
246 HA3 GLY 541 1HA GLY 541 6.746 -0.709 8.807
247 H ILE 542 H ILE 542 8.539 0.358 6.405
248 HA ILE 542 HA ILE 542 9.664 2.500 8.059
249 HB ILE 542 HB ILE 542 11.100 1.304 5.726
250 HG12 ILE 542 2HG1 ILE 542 11.660 0.102 8.356
251 HG13 ILE 542 1HG1 ILE 542 10.092 -0.325 7.673
252 HG21 ILE 542 1HG2 ILE 542 12.932 1.706 7.651
253 HG22 ILE 542 2HG2 ILE 542 11.745 2.935 8.093
254 HG23 ILE 542 3HG2 ILE 542 12.459 2.938 6.480
255 HD11 ILE 542 3HD1 ILE 542 11.782 -0.621 5.548
256 HD12 ILE 542 1HD1 ILE 542 11.177 -1.911 6.585
257 HD13 ILE 542 2HD1 ILE 542 12.751 -1.184 6.912
258 H TYR 543 H TYR 543 8.393 1.858 4.848
259 HA TYR 543 HA TYR 543 7.816 4.558 4.375
260 HB2 TYR 543 2HB TYR 543 9.602 4.611 2.325
261 HB3 TYR 543 1HB TYR 543 9.881 5.341 3.903
262 HD1 TYR 543 2HD TYR 543 9.979 1.727 2.990
263 HD2 TYR 543 1HD TYR 543 12.191 5.164 4.177
264 HE1 TYR 543 2HE TYR 543 11.985 0.333 3.270
265 HE2 TYR 543 1HE TYR 543 14.202 3.779 4.458
266 HH TYR 543 HH TYR 543 15.052 1.548 3.500
267 H ILE 544 H ILE 544 9.253 2.941 1.674
268 HA ILE 544 HA ILE 544 6.838 2.982 0.211
269 HB ILE 544 HB ILE 544 9.302 1.454 -0.570
270 HG12 ILE 544 2HG1 ILE 544 9.487 3.994 -1.701
271 HG13 ILE 544 1HG1 ILE 544 9.011 4.305 -0.036
272 HG21 ILE 544 1HG2 ILE 544 6.946 2.617 -1.957
273 HG22 ILE 544 2HG2 ILE 544 7.765 1.076 -2.214
274 HG23 ILE 544 3HG2 ILE 544 8.488 2.570 -2.811
275 HD11 ILE 544 3HD1 ILE 544 11.446 4.316 -0.364
276 HD12 ILE 544 1HD1 ILE 544 11.368 2.627 -0.863
277 HD13 ILE 544 2HD1 ILE 544 10.921 3.082 0.780
278 H GLU 545 H GLU 545 8.639 0.377 1.776
279 HA GLU 545 HA GLU 545 8.093 -1.786 2.237
280 HB2 GLU 545 2HB GLU 545 5.209 -1.162 1.730
281 HB3 GLU 545 1HB GLU 545 5.922 -2.210 2.946
282 HG2 GLU 545 2HG GLU 545 6.731 -0.274 4.175
283 HG3 GLU 545 1HG GLU 545 6.076 0.798 2.937
284 H GLY 546 H GLY 546 6.159 -3.498 1.311
285 HA2 GLY 546 2HA GLY 546 6.802 -3.623 -1.567
286 HA3 GLY 546 1HA GLY 546 6.550 -5.027 -0.540
287 H LEU 547 H LEU 547 4.698 -2.036 -1.006
288 HA LEU 547 HA LEU 547 2.237 -3.525 -1.053
289 HB2 LEU 547 2HB LEU 547 1.254 -1.200 -1.471
290 HB3 LEU 547 1HB LEU 547 2.031 -1.505 0.069
291 HG LEU 547 HG LEU 547 4.044 -0.468 -1.602
292 HD11 LEU 547 1HD1 LEU 547 3.083 0.885 -3.061
293 HD12 LEU 547 2HD1 LEU 547 2.366 1.787 -1.726
294 HD13 LEU 547 3HD1 LEU 547 1.482 0.453 -2.464
295 HD21 LEU 547 3HD2 LEU 547 3.988 -0.098 0.750
296 HD22 LEU 547 1HD2 LEU 547 2.426 0.716 0.644
297 HD23 LEU 547 2HD2 LEU 547 3.866 1.473 -0.039
298 H MET 548 H MET 548 3.401 -1.046 -3.330
299 HA MET 548 HA MET 548 3.409 -0.909 -5.591
300 HB2 MET 548 2HB MET 548 3.023 -3.889 -5.385
301 HB3 MET 548 1HB MET 548 3.202 -3.044 -6.914
302 HG2 MET 548 2HG MET 548 5.410 -2.716 -6.637
303 HG3 MET 548 1HG MET 548 5.269 -2.490 -4.895
304 HE1 MET 548 3HE MET 548 3.697 -5.745 -4.316
305 HE2 MET 548 1HE MET 548 4.338 -4.337 -3.469
306 HE3 MET 548 2HE MET 548 5.189 -5.879 -3.384
307 H HIS 549 H HIS 549 0.698 -2.356 -3.998
308 HA HIS 549 HA HIS 549 -1.066 -2.088 -6.265
309 HB2 HIS 549 2HB HIS 549 -2.759 -2.439 -4.165
310 HB3 HIS 549 1HB HIS 549 -1.992 -3.760 -5.040
311 HD1 HIS 549 1HD HIS 549 -0.778 -1.519 -2.206
312 HD2 HIS 549 2HD HIS 549 -1.107 -5.537 -3.212
313 HE1 HIS 549 1HE HIS 549 0.289 -2.773 -0.312
314 HE2 HIS 549 2HE HIS 549 -0.037 -5.208 -0.880
315 H ASN 550 H ASN 550 -0.086 -0.240 -3.508
316 HA ASN 550 HA ASN 550 -0.340 1.985 -3.066
317 HB2 ASN 550 2HB ASN 550 -2.382 2.180 -5.279
318 HB3 ASN 550 1HB ASN 550 -1.415 3.471 -4.579
319 HD21 ASN 550 1HD2 ASN 550 1.073 2.272 -4.550
320 HD22 ASN 550 2HD2 ASN 550 1.601 2.029 -6.175
321 H GLN 551 H GLN 551 -3.103 -0.121 -3.424
322 HA GLN 551 HA GLN 551 -4.893 -0.441 -2.084
323 HB2 GLN 551 2HB GLN 551 -3.794 1.825 -0.416
324 HB3 GLN 551 1HB GLN 551 -5.067 0.717 0.048
325 HG2 GLN 551 2HG GLN 551 -3.404 -1.145 -0.194
326 HG3 GLN 551 1HG GLN 551 -2.164 0.097 -0.372
327 HE21 GLN 551 1HE2 GLN 551 -2.235 1.792 1.410
328 HE22 GLN 551 2HE2 GLN 551 -2.425 1.196 3.020
329 H ASP 552 H ASP 552 -6.850 0.103 -2.672
330 HA ASP 552 HA ASP 552 -7.740 2.834 -2.765
331 HB2 ASP 552 2HB ASP 552 -6.626 1.689 -5.127
332 HB3 ASP 552 1HB ASP 552 -8.356 1.900 -5.381
333 H GLY 553 H GLY 553 -8.537 0.327 -1.485
334 HA2 GLY 553 2HA GLY 553 -10.884 0.047 -0.849
335 HA3 GLY 553 1HA GLY 553 -11.286 0.175 -2.555
336 H LEU 554 H LEU 554 -8.911 -1.757 -0.734
337 HA LEU 554 HA LEU 554 -9.939 -4.144 -2.118
338 HB2 LEU 554 2HB LEU 554 -7.231 -3.438 -1.024
339 HB3 LEU 554 1HB LEU 554 -7.669 -5.098 -1.372
340 HG LEU 554 HG LEU 554 -6.391 -3.545 -3.119
341 HD11 LEU 554 1HD1 LEU 554 -6.632 -5.300 -4.492
342 HD12 LEU 554 2HD1 LEU 554 -8.393 -5.211 -4.462
343 HD13 LEU 554 3HD1 LEU 554 -7.529 -6.013 -3.150
344 HD21 LEU 554 3HD2 LEU 554 -7.954 -2.716 -4.821
345 HD22 LEU 554 1HD2 LEU 554 -8.141 -1.869 -3.285
346 HD23 LEU 554 2HD2 LEU 554 -9.307 -3.105 -3.758
347 H ILE 555 H ILE 555 -8.610 -3.064 0.983
348 HA ILE 555 HA ILE 555 -9.620 -5.427 2.319
349 HB ILE 555 HB ILE 555 -8.269 -3.133 3.705
350 HG12 ILE 555 2HG1 ILE 555 -6.188 -4.757 3.252
351 HG13 ILE 555 1HG1 ILE 555 -7.106 -5.096 1.788
352 HG21 ILE 555 1HG2 ILE 555 -7.844 -4.614 5.387
353 HG22 ILE 555 2HG2 ILE 555 -7.810 -6.006 4.305
354 HG23 ILE 555 3HG2 ILE 555 -9.353 -5.287 4.769
355 HD11 ILE 555 3HD1 ILE 555 -5.302 -3.101 2.052
356 HD12 ILE 555 1HD1 ILE 555 -6.801 -2.249 2.415
357 HD13 ILE 555 2HD1 ILE 555 -6.622 -3.103 0.881
358 H CYS 556 H CYS 556 -10.601 -2.155 1.815
359 HA CYS 556 HA CYS 556 -12.153 -1.761 4.123
360 HB2 CYS 556 2HB CYS 556 -11.504 0.016 2.464
361 HB3 CYS 556 1HB CYS 556 -12.733 -0.631 1.389
362 H GLY 557 H GLY 557 -12.605 -3.885 1.535
363 HA2 GLY 557 2HA GLY 557 -15.000 -4.898 2.667
364 HA3 GLY 557 1HA GLY 557 -15.342 -3.977 1.209
365 H LEU 558 H LEU 558 -15.579 -5.222 -0.471
366 HA LEU 558 HA LEU 558 -13.626 -7.315 -1.001
367 HB2 LEU 558 2HB LEU 558 -16.072 -8.470 -1.734
368 HB3 LEU 558 1HB LEU 558 -14.992 -8.974 -0.449
369 HG LEU 558 HG LEU 558 -17.108 -6.883 0.000
370 HD11 LEU 558 1HD1 LEU 558 -17.367 -9.851 -0.080
371 HD12 LEU 558 2HD1 LEU 558 -18.489 -8.605 -0.627
372 HD13 LEU 558 3HD1 LEU 558 -18.302 -8.927 1.097
373 HD21 LEU 558 3HD2 LEU 558 -16.164 -6.787 2.013
374 HD22 LEU 558 1HD2 LEU 558 -15.041 -8.080 1.590
375 HD23 LEU 558 2HD2 LEU 558 -16.618 -8.472 2.273
376 H ARG 559 H ARG 559 -16.364 -5.387 -2.084
377 HA ARG 559 HA ARG 559 -15.409 -5.665 -4.854
378 HB2 ARG 559 2HB ARG 559 -17.789 -4.740 -5.359
379 HB3 ARG 559 1HB ARG 559 -17.600 -6.435 -4.932
380 HG2 ARG 559 2HG ARG 559 -18.697 -6.208 -2.973
381 HG3 ARG 559 1HG ARG 559 -18.086 -4.576 -2.694
382 HD2 ARG 559 2HD ARG 559 -19.636 -4.041 -4.773
383 HD3 ARG 559 1HD ARG 559 -20.475 -5.486 -4.211
384 HE ARG 559 HE ARG 559 -20.231 -4.033 -1.957
385 HH11 ARG 559 1HH1 ARG 559 -21.415 -3.248 -5.146
386 HH12 ARG 559 2HH1 ARG 559 -22.533 -2.057 -4.573
387 HH21 ARG 559 1HH2 ARG 559 -21.703 -2.468 -1.203
388 HH22 ARG 559 2HH2 ARG 559 -22.697 -1.614 -2.335
389 H GLN 560 H GLN 560 -14.598 -3.801 -2.598
390 HA GLN 560 HA GLN 560 -15.511 -1.198 -3.143
391 HB2 GLN 560 2HB GLN 560 -13.324 -2.434 -1.611
392 HB3 GLN 560 1HB GLN 560 -12.965 -0.818 -2.196
393 HG2 GLN 560 2HG GLN 560 -14.059 -1.191 0.146
394 HG3 GLN 560 1HG GLN 560 -14.534 0.170 -0.867
395 HE21 GLN 560 1HE2 GLN 560 -15.398 -3.274 -0.843
396 HE22 GLN 560 2HE2 GLN 560 -17.105 -3.022 -0.739
Start of MODEL 13
1 H1 ALA 507 1HT ALA 507 -10.874 -10.361 -2.258
2 H2 ALA 507 2HT ALA 507 -11.055 -11.724 -1.231
3 H3 ALA 507 3HT ALA 507 -9.728 -10.657 -1.020
4 HA ALA 507 HA ALA 507 -11.508 -8.896 -0.694
5 HB1 ALA 507 2HB ALA 507 -13.634 -9.528 -0.390
6 HB2 ALA 507 3HB ALA 507 -13.179 -10.965 0.523
7 HB3 ALA 507 1HB ALA 507 -13.158 -10.999 -1.240
8 H GLN 508 H GLN 508 -11.929 -8.320 1.561
9 HA GLN 508 HA GLN 508 -11.158 -9.882 3.749
10 HB2 GLN 508 2HB GLN 508 -9.005 -8.562 4.267
11 HB3 GLN 508 1HB GLN 508 -8.915 -9.876 3.101
12 HG2 GLN 508 2HG GLN 508 -9.088 -8.233 1.275
13 HG3 GLN 508 1HG GLN 508 -9.092 -6.939 2.471
14 HE21 GLN 508 1HE2 GLN 508 -7.211 -6.514 0.854
15 HE22 GLN 508 2HE2 GLN 508 -5.661 -7.056 1.389
16 HA PRO 509 HA PRO 509 -13.113 -6.204 5.395
17 HB2 PRO 509 2HB PRO 509 -13.949 -7.193 7.673
18 HB3 PRO 509 1HB PRO 509 -14.530 -7.928 6.167
19 HG2 PRO 509 2HG PRO 509 -12.281 -8.811 7.943
20 HG3 PRO 509 1HG PRO 509 -13.634 -9.781 7.323
21 HD2 PRO 509 2HD PRO 509 -11.154 -9.694 6.148
22 HD3 PRO 509 1HD PRO 509 -12.650 -10.026 5.251
23 H LYS 510 H LYS 510 -11.794 -4.603 5.957
24 HA LYS 510 HA LYS 510 -10.555 -4.610 8.566
25 HB2 LYS 510 2HB LYS 510 -8.984 -4.730 6.058
26 HB3 LYS 510 1HB LYS 510 -8.414 -3.622 7.297
27 HG2 LYS 510 2HG LYS 510 -8.134 -5.381 8.863
28 HG3 LYS 510 1HG LYS 510 -8.989 -6.523 7.825
29 HD2 LYS 510 2HD LYS 510 -6.979 -5.636 6.191
30 HD3 LYS 510 1HD LYS 510 -6.196 -5.660 7.772
31 HE2 LYS 510 2HE LYS 510 -7.758 -7.979 6.654
32 HE3 LYS 510 1HE LYS 510 -6.018 -7.789 6.443
33 HZ1 LYS 510 3HZ LYS 510 -7.437 -8.007 9.043
34 HZ2 LYS 510 1HZ LYS 510 -5.769 -7.797 8.854
35 HZ3 LYS 510 2HZ LYS 510 -6.508 -9.219 8.314
36 H CYS 511 H CYS 511 -10.724 -2.861 5.537
37 HA CYS 511 HA CYS 511 -11.442 -0.786 5.012
38 HB2 CYS 511 2HB CYS 511 -12.510 -1.078 7.700
39 HB3 CYS 511 1HB CYS 511 -12.135 0.592 7.294
40 H ASN 512 H ASN 512 -8.811 -1.267 5.275
41 HA ASN 512 HA ASN 512 -7.870 1.373 6.120
42 HB2 ASN 512 2HB ASN 512 -7.198 -0.698 7.618
43 HB3 ASN 512 1HB ASN 512 -6.006 -0.950 6.347
44 HD21 ASN 512 1HD2 ASN 512 -5.782 1.950 5.819
45 HD22 ASN 512 2HD2 ASN 512 -4.841 2.581 7.116
46 HA PRO 513 HA PRO 513 -6.274 -0.116 1.880
47 HB2 PRO 513 2HB PRO 513 -8.201 0.430 0.126
48 HB3 PRO 513 1HB PRO 513 -8.227 -1.065 1.062
49 HG2 PRO 513 2HG PRO 513 -9.729 1.486 1.548
50 HG3 PRO 513 1HG PRO 513 -10.327 -0.180 1.588
51 HD2 PRO 513 2HD PRO 513 -9.617 1.217 3.827
52 HD3 PRO 513 1HD PRO 513 -9.525 -0.550 3.696
53 H ASN 514 H ASN 514 -8.399 2.196 0.479
54 HA ASN 514 HA ASN 514 -6.225 4.026 0.140
55 HB2 ASN 514 2HB ASN 514 -7.613 5.153 -1.432
56 HB3 ASN 514 1HB ASN 514 -7.894 3.428 -1.646
57 HD21 ASN 514 1HD2 ASN 514 -9.933 2.986 -2.011
58 HD22 ASN 514 2HD2 ASN 514 -11.297 3.790 -1.324
59 H LEU 515 H LEU 515 -8.115 3.597 2.712
60 HA LEU 515 HA LEU 515 -8.590 6.442 3.213
61 HB2 LEU 515 2HB LEU 515 -9.478 4.033 4.804
62 HB3 LEU 515 1HB LEU 515 -9.951 5.697 5.099
63 HG LEU 515 HG LEU 515 -11.783 4.702 3.988
64 HD11 LEU 515 1HD1 LEU 515 -11.827 5.864 1.787
65 HD12 LEU 515 2HD1 LEU 515 -10.118 6.251 2.006
66 HD13 LEU 515 3HD1 LEU 515 -11.319 6.893 3.129
67 HD21 LEU 515 3HD2 LEU 515 -10.405 3.848 1.546
68 HD22 LEU 515 1HD2 LEU 515 -11.665 3.038 2.479
69 HD23 LEU 515 2HD2 LEU 515 -9.977 2.919 2.982
70 H HIS 516 H HIS 516 -5.989 5.747 3.106
71 HA HIS 516 HA HIS 516 -4.846 6.806 5.359
72 HB2 HIS 516 2HB HIS 516 -5.674 4.179 5.925
73 HB3 HIS 516 1HB HIS 516 -3.933 4.078 5.686
74 HD1 HIS 516 1HD HIS 516 -5.661 3.878 8.438
75 HD2 HIS 516 2HD HIS 516 -3.240 7.004 7.158
76 HE1 HIS 516 1HE HIS 516 -4.994 5.111 10.527
77 HE2 HIS 516 2HE HIS 516 -3.599 7.047 9.720
78 H TYR 517 H TYR 517 -4.578 4.475 2.778
79 HA TYR 517 HA TYR 517 -1.955 4.100 2.326
80 HB2 TYR 517 2HB TYR 517 -2.459 3.713 0.064
81 HB3 TYR 517 1HB TYR 517 -3.982 3.428 0.888
82 HD1 TYR 517 1HD TYR 517 -5.327 5.846 1.183
83 HD2 TYR 517 2HD TYR 517 -2.708 4.747 -1.981
84 HE1 TYR 517 1HE TYR 517 -6.450 7.458 -0.294
85 HE2 TYR 517 2HE TYR 517 -3.816 6.361 -3.468
86 HH TYR 517 HH TYR 517 -6.774 7.803 -2.737
87 H TRP 518 H TRP 518 -3.696 7.086 1.636
88 HA TRP 518 HA TRP 518 -1.589 8.462 0.344
89 HB2 TRP 518 2HB TRP 518 -2.973 10.510 1.095
90 HB3 TRP 518 1HB TRP 518 -3.751 9.353 0.018
91 HD1 TRP 518 HD TRP 518 -3.440 8.453 3.697
92 HE1 TRP 518 1HE TRP 518 -5.772 8.467 4.767
93 HE3 TRP 518 3HE TRP 518 -6.079 10.493 -0.168
94 HZ2 TRP 518 2HZ TRP 518 -8.398 9.253 4.069
95 HZ3 TRP 518 3HZ TRP 518 -8.500 10.846 0.111
96 HH2 TRP 518 HH TRP 518 -9.634 10.236 2.186
97 H THR 519 H THR 519 0.209 7.911 1.755
98 HA THR 519 HA THR 519 0.758 9.975 3.650
99 HB THR 519 HB THR 519 -0.576 8.692 5.131
100 HG1 THR 519 1HG THR 519 2.084 7.872 5.637
101 HG21 THR 519 3HG2 THR 519 -0.198 6.548 3.625
102 HG22 THR 519 1HG2 THR 519 -0.730 6.456 5.306
103 HG23 THR 519 2HG2 THR 519 0.967 6.196 4.902
104 H THR 520 H THR 520 1.633 6.617 2.933
105 HA THR 520 HA THR 520 4.397 7.504 2.495
106 HB THR 520 HB THR 520 4.110 6.206 4.625
107 HG1 THR 520 1HG THR 520 6.062 6.205 3.288
108 HG21 THR 520 3HG2 THR 520 2.759 4.353 2.889
109 HG22 THR 520 1HG2 THR 520 2.867 4.379 4.648
110 HG23 THR 520 2HG2 THR 520 4.127 3.588 3.701
111 H GLN 521 H GLN 521 1.650 6.246 1.147
112 HA GLN 521 HA GLN 521 3.056 4.573 -0.759
113 HB2 GLN 521 2HB GLN 521 1.063 3.540 -1.232
114 HB3 GLN 521 1HB GLN 521 0.733 4.066 0.411
115 HG2 GLN 521 2HG GLN 521 -1.179 4.678 -0.705
116 HG3 GLN 521 1HG GLN 521 -0.250 6.173 -0.710
117 HE21 GLN 521 1HE2 GLN 521 -0.745 7.156 -2.527
118 HE22 GLN 521 2HE2 GLN 521 -0.687 6.459 -4.106
119 H ASP 522 H ASP 522 1.216 7.501 -0.526
120 HA ASP 522 HA ASP 522 1.510 8.100 -3.352
121 HB2 ASP 522 2HB ASP 522 -0.382 8.778 -1.437
122 HB3 ASP 522 1HB ASP 522 0.509 10.273 -1.696
123 H GLU 523 H GLU 523 3.498 8.184 -0.869
124 HA GLU 523 HA GLU 523 5.022 10.457 -1.905
125 HB2 GLU 523 2HB GLU 523 5.192 9.918 1.012
126 HB3 GLU 523 1HB GLU 523 5.321 11.443 0.144
127 HG2 GLU 523 2HG GLU 523 2.765 11.016 -0.304
128 HG3 GLU 523 1HG GLU 523 2.909 10.024 1.148
129 H GLY 524 H GLY 524 4.830 7.318 -0.522
130 HA2 GLY 524 2HA GLY 524 7.738 6.971 -0.843
131 HA3 GLY 524 1HA GLY 524 6.769 6.084 0.326
132 H ALA 525 H ALA 525 4.564 5.837 -1.700
133 HA ALA 525 HA ALA 525 5.747 3.612 -3.210
134 HB1 ALA 525 1HB ALA 525 3.592 2.572 -3.217
135 HB2 ALA 525 2HB ALA 525 2.826 4.029 -2.582
136 HB3 ALA 525 3HB ALA 525 3.921 3.095 -1.566
137 H ALA 526 H ALA 526 5.580 6.535 -3.840
138 HA ALA 526 HA ALA 526 4.529 6.238 -6.558
139 HB1 ALA 526 1HB ALA 526 2.743 7.365 -5.552
140 HB2 ALA 526 2HB ALA 526 3.680 8.635 -6.339
141 HB3 ALA 526 3HB ALA 526 3.817 8.388 -4.598
142 H ILE 527 H ILE 527 7.076 7.054 -4.618
143 HA ILE 527 HA ILE 527 8.460 8.364 -6.808
144 HB ILE 527 HB ILE 527 9.386 9.858 -4.718
145 HG12 ILE 527 2HG1 ILE 527 7.242 8.806 -3.537
146 HG13 ILE 527 1HG1 ILE 527 7.762 10.457 -3.216
147 HG21 ILE 527 1HG2 ILE 527 9.074 11.041 -6.631
148 HG22 ILE 527 2HG2 ILE 527 7.660 11.596 -5.736
149 HG23 ILE 527 3HG2 ILE 527 7.493 10.326 -6.948
150 HD11 ILE 527 3HD1 ILE 527 5.970 11.361 -4.278
151 HD12 ILE 527 1HD1 ILE 527 5.254 9.833 -3.764
152 HD13 ILE 527 2HD1 ILE 527 5.830 10.025 -5.420
153 H GLY 528 H GLY 528 8.578 7.012 -3.539
154 HA2 GLY 528 2HA GLY 528 11.402 6.722 -3.443
155 HA3 GLY 528 1HA GLY 528 10.242 5.912 -2.401
156 H LEU 529 H LEU 529 9.322 3.906 -3.099
157 HA LEU 529 HA LEU 529 10.642 2.650 -5.391
158 HB2 LEU 529 2HB LEU 529 10.469 1.253 -2.733
159 HB3 LEU 529 1HB LEU 529 11.347 0.744 -4.162
160 HG LEU 529 HG LEU 529 12.052 3.242 -2.635
161 HD11 LEU 529 1HD1 LEU 529 13.502 2.093 -1.278
162 HD12 LEU 529 2HD1 LEU 529 13.594 0.706 -2.364
163 HD13 LEU 529 3HD1 LEU 529 12.157 0.955 -1.371
164 HD21 LEU 529 3HD2 LEU 529 12.782 2.760 -5.075
165 HD22 LEU 529 1HD2 LEU 529 13.875 1.591 -4.335
166 HD23 LEU 529 2HD2 LEU 529 13.986 3.297 -3.904
167 H ALA 530 H ALA 530 9.595 0.006 -4.426
168 HA ALA 530 HA ALA 530 7.508 -1.087 -4.117
169 HB1 ALA 530 1HB ALA 530 5.430 -0.119 -4.628
170 HB2 ALA 530 2HB ALA 530 6.160 1.109 -5.663
171 HB3 ALA 530 3HB ALA 530 6.366 1.195 -3.914
172 H TRP 531 H TRP 531 8.302 0.740 -6.994
173 HA TRP 531 HA TRP 531 7.342 -1.199 -8.865
174 HB2 TRP 531 2HB TRP 531 9.044 0.235 -10.360
175 HB3 TRP 531 1HB TRP 531 7.465 0.859 -9.894
176 HD1 TRP 531 HD TRP 531 10.977 0.871 -8.241
177 HE1 TRP 531 1HE TRP 531 11.370 3.209 -7.262
178 HE3 TRP 531 3HE TRP 531 6.561 3.065 -9.582
179 HZ2 TRP 531 2HZ TRP 531 9.998 5.676 -7.087
180 HZ3 TRP 531 3HZ TRP 531 6.176 5.416 -8.969
181 HH2 TRP 531 HH TRP 531 7.858 6.695 -7.743
182 H ILE 532 H ILE 532 10.244 -0.699 -7.068
183 HA ILE 532 HA ILE 532 11.723 -2.675 -8.645
184 HB ILE 532 HB ILE 532 12.949 -0.661 -8.283
185 HG12 ILE 532 2HG1 ILE 532 13.937 -2.727 -6.303
186 HG13 ILE 532 1HG1 ILE 532 14.257 -2.735 -8.038
187 HG21 ILE 532 1HG2 ILE 532 11.733 -0.800 -5.628
188 HG22 ILE 532 2HG2 ILE 532 12.236 0.598 -6.578
189 HG23 ILE 532 3HG2 ILE 532 13.421 -0.292 -5.624
190 HD11 ILE 532 3HD1 ILE 532 15.806 -1.574 -6.068
191 HD12 ILE 532 1HD1 ILE 532 14.975 -0.217 -6.830
192 HD13 ILE 532 2HD1 ILE 532 15.945 -1.320 -7.808
193 HA PRO 533 HA PRO 533 10.289 -5.272 -5.111
194 HB2 PRO 533 2HB PRO 533 10.430 -7.613 -6.493
195 HB3 PRO 533 1HB PRO 533 9.022 -6.545 -6.544
196 HG2 PRO 533 2HG PRO 533 11.272 -6.810 -8.501
197 HG3 PRO 533 1HG PRO 533 9.532 -6.660 -8.811
198 HD2 PRO 533 2HD PRO 533 11.218 -4.565 -9.041
199 HD3 PRO 533 1HD PRO 533 9.544 -4.374 -8.485
200 H TYR 534 H TYR 534 12.401 -4.646 -4.204
201 HA TYR 534 HA TYR 534 14.549 -6.557 -4.785
202 HB2 TYR 534 2HB TYR 534 15.140 -4.184 -4.976
203 HB3 TYR 534 1HB TYR 534 14.634 -3.916 -3.312
204 HD1 TYR 534 2HD TYR 534 16.358 -7.017 -4.069
205 HD2 TYR 534 1HD TYR 534 16.874 -2.970 -2.872
206 HE1 TYR 534 2HE TYR 534 18.636 -7.544 -3.298
207 HE2 TYR 534 1HE TYR 534 19.153 -3.482 -2.099
208 HH TYR 534 HH TYR 534 20.306 -6.678 -1.762
209 H PHE 535 H PHE 535 12.996 -4.961 -1.992
210 HA PHE 535 HA PHE 535 13.649 -7.358 -0.406
211 HB2 PHE 535 2HB PHE 535 13.364 -5.556 1.543
212 HB3 PHE 535 1HB PHE 535 14.906 -5.841 0.748
213 HD1 PHE 535 1HD PHE 535 15.278 -4.346 -1.421
214 HD2 PHE 535 2HD PHE 535 12.660 -3.397 1.796
215 HE1 PHE 535 1HE PHE 535 15.393 -1.967 -2.036
216 HE2 PHE 535 2HE PHE 535 12.771 -1.016 1.187
217 HZ PHE 535 HZ PHE 535 14.140 -0.300 -0.729
218 H GLY 536 H GLY 536 11.303 -4.780 -0.970
219 HA2 GLY 536 2HA GLY 536 9.032 -4.717 -0.680
220 HA3 GLY 536 1HA GLY 536 9.081 -6.469 -0.662
221 HA PRO 537 HA PRO 537 7.476 -6.104 3.474
222 HB2 PRO 537 2HB PRO 537 8.025 -8.670 4.281
223 HB3 PRO 537 1HB PRO 537 6.629 -8.208 3.301
224 HG2 PRO 537 2HG PRO 537 9.256 -9.352 2.436
225 HG3 PRO 537 1HG PRO 537 7.620 -9.764 1.887
226 HD2 PRO 537 2HD PRO 537 9.220 -8.190 0.428
227 HD3 PRO 537 1HD PRO 537 7.473 -7.892 0.524
228 H ALA 538 H ALA 538 10.737 -6.404 2.729
229 HA ALA 538 HA ALA 538 11.742 -6.946 5.351
230 HB1 ALA 538 1HB ALA 538 13.743 -7.087 4.357
231 HB2 ALA 538 2HB ALA 538 13.552 -5.533 3.543
232 HB3 ALA 538 3HB ALA 538 12.840 -6.988 2.846
233 H ALA 539 H ALA 539 11.136 -4.064 3.417
234 HA ALA 539 HA ALA 539 12.290 -2.202 5.222
235 HB1 ALA 539 1HB ALA 539 10.568 -0.658 3.940
236 HB2 ALA 539 2HB ALA 539 10.468 -2.059 2.876
237 HB3 ALA 539 3HB ALA 539 12.021 -1.269 3.146
238 H GLU 540 H GLU 540 9.163 -3.660 4.831
239 HA GLU 540 HA GLU 540 7.147 -2.754 5.900
240 HB2 GLU 540 2HB GLU 540 6.751 -4.566 7.400
241 HB3 GLU 540 1HB GLU 540 7.736 -5.152 6.065
242 HG2 GLU 540 2HG GLU 540 9.250 -5.903 7.483
243 HG3 GLU 540 1HG GLU 540 9.478 -4.281 8.133
244 H GLY 541 H GLY 541 7.838 -0.533 6.548
245 HA2 GLY 541 2HA GLY 541 7.070 0.359 8.860
246 HA3 GLY 541 1HA GLY 541 8.599 -0.334 9.370
247 H ILE 542 H ILE 542 9.415 0.619 6.439
248 HA ILE 542 HA ILE 542 10.324 3.226 7.412
249 HB ILE 542 HB ILE 542 11.258 1.819 4.918
250 HG12 ILE 542 2HG1 ILE 542 13.020 1.746 7.268
251 HG13 ILE 542 1HG1 ILE 542 11.552 0.790 7.447
252 HG21 ILE 542 1HG2 ILE 542 11.729 4.223 5.089
253 HG22 ILE 542 2HG2 ILE 542 13.201 3.253 5.136
254 HG23 ILE 542 3HG2 ILE 542 12.552 3.941 6.624
255 HD11 ILE 542 3HD1 ILE 542 12.794 -0.796 6.473
256 HD12 ILE 542 1HD1 ILE 542 13.887 0.368 5.723
257 HD13 ILE 542 2HD1 ILE 542 12.318 0.030 4.990
258 H TYR 543 H TYR 543 8.498 1.722 4.810
259 HA TYR 543 HA TYR 543 6.886 3.897 4.300
260 HB2 TYR 543 2HB TYR 543 8.034 4.437 1.929
261 HB3 TYR 543 1HB TYR 543 8.375 5.353 3.390
262 HD1 TYR 543 2HD TYR 543 9.647 1.940 2.713
263 HD2 TYR 543 1HD TYR 543 10.554 6.096 2.817
264 HE1 TYR 543 2HE TYR 543 12.038 1.418 2.483
265 HE2 TYR 543 1HE TYR 543 12.948 5.584 2.586
266 HH TYR 543 HH TYR 543 14.191 2.411 2.923
267 H ILE 544 H ILE 544 8.332 2.626 1.405
268 HA ILE 544 HA ILE 544 6.005 1.643 0.321
269 HB ILE 544 HB ILE 544 8.701 0.445 -0.271
270 HG12 ILE 544 2HG1 ILE 544 8.229 2.521 -2.090
271 HG13 ILE 544 1HG1 ILE 544 7.838 3.204 -0.513
272 HG21 ILE 544 1HG2 ILE 544 6.267 0.939 -1.978
273 HG22 ILE 544 2HG2 ILE 544 6.801 -0.619 -1.347
274 HG23 ILE 544 3HG2 ILE 544 7.788 0.238 -2.529
275 HD11 ILE 544 3HD1 ILE 544 10.338 3.020 -1.634
276 HD12 ILE 544 1HD1 ILE 544 10.310 1.688 -0.480
277 HD13 ILE 544 2HD1 ILE 544 9.977 3.331 0.064
278 H GLU 545 H GLU 545 8.629 -0.484 1.455
279 HA GLU 545 HA GLU 545 8.594 -2.508 2.496
280 HB2 GLU 545 2HB GLU 545 5.662 -2.106 3.060
281 HB3 GLU 545 1HB GLU 545 6.837 -3.034 3.986
282 HG2 GLU 545 2HG GLU 545 7.829 -1.106 4.867
283 HG3 GLU 545 1HG GLU 545 7.061 -0.061 3.675
284 H GLY 546 H GLY 546 5.709 -3.906 2.401
285 HA2 GLY 546 2HA GLY 546 6.221 -5.113 -0.228
286 HA3 GLY 546 1HA GLY 546 5.344 -5.874 1.092
287 H LEU 547 H LEU 547 4.801 -2.568 0.248
288 HA LEU 547 HA LEU 547 2.099 -3.270 -0.637
289 HB2 LEU 547 2HB LEU 547 1.384 -1.197 0.120
290 HB3 LEU 547 1HB LEU 547 2.619 -1.625 1.297
291 HG LEU 547 HG LEU 547 4.174 -0.313 -0.357
292 HD11 LEU 547 1HD1 LEU 547 3.235 1.094 -1.827
293 HD12 LEU 547 2HD1 LEU 547 1.917 1.517 -0.734
294 HD13 LEU 547 3HD1 LEU 547 1.831 0.035 -1.688
295 HD21 LEU 547 3HD2 LEU 547 2.542 1.572 1.201
296 HD22 LEU 547 1HD2 LEU 547 4.275 1.245 1.266
297 HD23 LEU 547 2HD2 LEU 547 3.144 0.178 2.099
298 H MET 548 H MET 548 1.677 -3.191 -2.684
299 HA MET 548 HA MET 548 2.976 -1.233 -4.419
300 HB2 MET 548 2HB MET 548 2.735 -4.158 -5.113
301 HB3 MET 548 1HB MET 548 3.405 -2.896 -6.137
302 HG2 MET 548 2HG MET 548 5.402 -3.185 -5.245
303 HG3 MET 548 1HG MET 548 4.766 -2.857 -3.639
304 HE1 MET 548 3HE MET 548 3.196 -4.641 -2.522
305 HE2 MET 548 1HE MET 548 3.614 -6.353 -2.449
306 HE3 MET 548 2HE MET 548 2.625 -5.742 -3.776
307 H HIS 549 H HIS 549 0.178 -2.315 -3.257
308 HA HIS 549 HA HIS 549 -1.303 -2.262 -5.774
309 HB2 HIS 549 2HB HIS 549 -2.518 -2.615 -3.043
310 HB3 HIS 549 1HB HIS 549 -3.140 -3.154 -4.598
311 HD1 HIS 549 1HD HIS 549 -0.778 -4.735 -5.674
312 HD2 HIS 549 2HD HIS 549 -2.059 -4.940 -1.727
313 HE1 HIS 549 1HE HIS 549 0.060 -6.941 -4.808
314 HE2 HIS 549 2HE HIS 549 -0.802 -7.082 -2.445
315 H ASN 550 H ASN 550 -0.312 -0.192 -3.298
316 HA ASN 550 HA ASN 550 -0.677 2.021 -2.910
317 HB2 ASN 550 2HB ASN 550 -2.332 1.758 -5.419
318 HB3 ASN 550 1HB ASN 550 -2.197 3.275 -4.538
319 HD21 ASN 550 1HD2 ASN 550 -0.004 0.695 -5.627
320 HD22 ASN 550 2HD2 ASN 550 1.182 1.757 -6.292
321 H GLN 551 H GLN 551 -3.529 0.028 -3.438
322 HA GLN 551 HA GLN 551 -5.267 -0.350 -2.014
323 HB2 GLN 551 2HB GLN 551 -4.556 2.140 -0.484
324 HB3 GLN 551 1HB GLN 551 -5.573 0.800 0.025
325 HG2 GLN 551 2HG GLN 551 -3.323 -0.538 -0.449
326 HG3 GLN 551 1HG GLN 551 -2.639 1.030 -0.021
327 HE21 GLN 551 1HE2 GLN 551 -3.293 1.953 2.039
328 HE22 GLN 551 2HE2 GLN 551 -3.661 0.899 3.357
329 H ASP 552 H ASP 552 -7.197 -0.050 -2.664
330 HA ASP 552 HA ASP 552 -8.353 2.554 -3.093
331 HB2 ASP 552 2HB ASP 552 -7.231 1.076 -5.301
332 HB3 ASP 552 1HB ASP 552 -8.970 1.245 -5.509
333 H GLY 553 H GLY 553 -9.269 1.070 -1.203
334 HA2 GLY 553 2HA GLY 553 -11.239 0.190 -0.401
335 HA3 GLY 553 1HA GLY 553 -11.903 0.338 -2.020
336 H LEU 554 H LEU 554 -9.296 -1.560 -0.505
337 HA LEU 554 HA LEU 554 -10.349 -3.937 -1.879
338 HB2 LEU 554 2HB LEU 554 -7.589 -3.559 -0.732
339 HB3 LEU 554 1HB LEU 554 -8.136 -4.861 -1.774
340 HG LEU 554 HG LEU 554 -7.697 -1.976 -2.531
341 HD11 LEU 554 1HD1 LEU 554 -6.497 -4.405 -3.809
342 HD12 LEU 554 2HD1 LEU 554 -5.784 -3.685 -2.365
343 HD13 LEU 554 3HD1 LEU 554 -5.933 -2.734 -3.843
344 HD21 LEU 554 3HD2 LEU 554 -8.316 -2.857 -4.854
345 HD22 LEU 554 1HD2 LEU 554 -9.632 -2.527 -3.727
346 HD23 LEU 554 2HD2 LEU 554 -9.100 -4.186 -3.999
347 H ILE 555 H ILE 555 -9.411 -2.608 1.207
348 HA ILE 555 HA ILE 555 -10.088 -5.149 2.518
349 HB ILE 555 HB ILE 555 -9.142 -3.520 4.532
350 HG12 ILE 555 2HG1 ILE 555 -8.412 -1.917 2.697
351 HG13 ILE 555 1HG1 ILE 555 -7.162 -2.425 3.823
352 HG21 ILE 555 1HG2 ILE 555 -7.725 -5.569 2.848
353 HG22 ILE 555 2HG2 ILE 555 -8.604 -5.829 4.355
354 HG23 ILE 555 3HG2 ILE 555 -7.087 -4.929 4.362
355 HD11 ILE 555 3HD1 ILE 555 -6.012 -3.563 2.242
356 HD12 ILE 555 1HD1 ILE 555 -6.792 -2.376 1.199
357 HD13 ILE 555 2HD1 ILE 555 -7.461 -4.001 1.338
358 H CYS 556 H CYS 556 -11.015 -1.818 2.197
359 HA CYS 556 HA CYS 556 -12.785 -1.792 4.443
360 HB2 CYS 556 2HB CYS 556 -11.638 0.183 3.071
361 HB3 CYS 556 1HB CYS 556 -13.144 0.110 2.172
362 H GLY 557 H GLY 557 -12.922 -3.314 1.525
363 HA2 GLY 557 2HA GLY 557 -15.674 -4.006 1.873
364 HA3 GLY 557 1HA GLY 557 -15.390 -3.014 0.444
365 H LEU 558 H LEU 558 -15.421 -4.309 -1.259
366 HA LEU 558 HA LEU 558 -13.484 -6.454 -1.393
367 HB2 LEU 558 2HB LEU 558 -16.145 -7.288 -2.345
368 HB3 LEU 558 1HB LEU 558 -14.880 -8.223 -1.575
369 HG LEU 558 HG LEU 558 -16.544 -6.292 0.013
370 HD11 LEU 558 1HD1 LEU 558 -18.178 -7.912 0.450
371 HD12 LEU 558 2HD1 LEU 558 -17.235 -9.194 -0.311
372 HD13 LEU 558 3HD1 LEU 558 -17.969 -7.932 -1.302
373 HD21 LEU 558 3HD2 LEU 558 -14.367 -7.962 0.599
374 HD22 LEU 558 1HD2 LEU 558 -15.780 -8.740 1.312
375 HD23 LEU 558 2HD2 LEU 558 -15.377 -7.075 1.739
376 H ARG 559 H ARG 559 -15.980 -4.524 -2.946
377 HA ARG 559 HA ARG 559 -14.398 -4.570 -5.411
378 HB2 ARG 559 2HB ARG 559 -16.701 -4.518 -6.612
379 HB3 ARG 559 1HB ARG 559 -16.053 -6.059 -6.067
380 HG2 ARG 559 2HG ARG 559 -17.636 -6.315 -4.458
381 HG3 ARG 559 1HG ARG 559 -17.811 -4.579 -4.196
382 HD2 ARG 559 2HD ARG 559 -18.672 -4.931 -6.791
383 HD3 ARG 559 1HD ARG 559 -19.280 -6.362 -5.961
384 HE ARG 559 HE ARG 559 -19.918 -4.230 -4.341
385 HH11 ARG 559 1HH1 ARG 559 -20.618 -5.209 -7.616
386 HH12 ARG 559 2HH1 ARG 559 -22.162 -4.425 -7.653
387 HH21 ARG 559 1HH2 ARG 559 -21.949 -3.197 -4.388
388 HH22 ARG 559 2HH2 ARG 559 -22.917 -3.282 -5.822
389 H GLN 560 H GLN 560 -14.412 -2.603 -3.419
390 HA GLN 560 HA GLN 560 -16.126 -0.491 -3.561
391 HB2 GLN 560 2HB GLN 560 -13.111 -0.415 -3.375
392 HB3 GLN 560 1HB GLN 560 -14.136 0.984 -3.101
393 HG2 GLN 560 2HG GLN 560 -13.721 -1.428 -1.414
394 HG3 GLN 560 1HG GLN 560 -13.766 0.275 -0.959
395 HE21 GLN 560 1HE2 GLN 560 -15.722 -2.489 -1.880
396 HE22 GLN 560 2HE2 GLN 560 -17.185 -1.944 -1.141
Start of MODEL 14
1 H1 ALA 507 1HT ALA 507 -8.640 -9.018 -1.279
2 H2 ALA 507 2HT ALA 507 -9.586 -7.586 -1.303
3 H3 ALA 507 3HT ALA 507 -9.862 -8.820 -2.464
4 HA ALA 507 HA ALA 507 -11.453 -8.637 -0.565
5 HB1 ALA 507 2HB ALA 507 -11.723 -10.534 -1.829
6 HB2 ALA 507 3HB ALA 507 -11.288 -11.234 -0.270
7 HB3 ALA 507 1HB ALA 507 -10.074 -11.093 -1.541
8 H GLN 508 H GLN 508 -11.258 -7.905 1.454
9 HA GLN 508 HA GLN 508 -10.276 -9.502 3.528
10 HB2 GLN 508 2HB GLN 508 -8.410 -7.823 4.222
11 HB3 GLN 508 1HB GLN 508 -8.054 -9.076 3.042
12 HG2 GLN 508 2HG GLN 508 -8.757 -7.189 1.336
13 HG3 GLN 508 1HG GLN 508 -8.308 -6.142 2.679
14 HE21 GLN 508 1HE2 GLN 508 -7.188 -7.485 -0.055
15 HE22 GLN 508 2HE2 GLN 508 -5.499 -7.551 0.303
16 HA PRO 509 HA PRO 509 -12.889 -6.385 5.408
17 HB2 PRO 509 2HB PRO 509 -13.617 -7.730 7.533
18 HB3 PRO 509 1HB PRO 509 -14.014 -8.393 5.936
19 HG2 PRO 509 2HG PRO 509 -11.702 -9.067 7.730
20 HG3 PRO 509 1HG PRO 509 -12.848 -10.181 6.952
21 HD2 PRO 509 2HD PRO 509 -10.383 -9.555 5.917
22 HD3 PRO 509 1HD PRO 509 -11.769 -10.042 4.919
23 H LYS 510 H LYS 510 -11.203 -4.868 5.809
24 HA LYS 510 HA LYS 510 -10.456 -4.721 8.614
25 HB2 LYS 510 2HB LYS 510 -8.591 -5.084 6.398
26 HB3 LYS 510 1HB LYS 510 -8.161 -3.781 7.498
27 HG2 LYS 510 2HG LYS 510 -7.942 -5.228 9.306
28 HG3 LYS 510 1HG LYS 510 -8.879 -6.498 8.515
29 HD2 LYS 510 2HD LYS 510 -6.508 -5.746 7.003
30 HD3 LYS 510 1HD LYS 510 -6.123 -6.330 8.624
31 HE2 LYS 510 2HE LYS 510 -7.963 -7.797 6.749
32 HE3 LYS 510 1HE LYS 510 -6.223 -8.077 6.793
33 HZ1 LYS 510 3HZ LYS 510 -6.337 -8.940 8.930
34 HZ2 LYS 510 1HZ LYS 510 -7.721 -9.576 8.192
35 HZ3 LYS 510 2HZ LYS 510 -7.854 -8.261 9.247
36 H CYS 511 H CYS 511 -10.624 -3.099 5.533
37 HA CYS 511 HA CYS 511 -11.273 -1.011 4.967
38 HB2 CYS 511 2HB CYS 511 -12.238 -1.205 7.714
39 HB3 CYS 511 1HB CYS 511 -11.885 0.442 7.209
40 H ASN 512 H ASN 512 -8.677 -1.518 5.102
41 HA ASN 512 HA ASN 512 -7.639 1.082 5.969
42 HB2 ASN 512 2HB ASN 512 -6.840 -0.581 7.567
43 HB3 ASN 512 1HB ASN 512 -6.195 -1.557 6.253
44 HD21 ASN 512 1HD2 ASN 512 -5.897 1.852 5.883
45 HD22 ASN 512 2HD2 ASN 512 -4.223 1.965 6.287
46 HA PRO 513 HA PRO 513 -6.251 -0.113 1.618
47 HB2 PRO 513 2HB PRO 513 -8.271 0.344 -0.016
48 HB3 PRO 513 1HB PRO 513 -8.267 -1.114 0.982
49 HG2 PRO 513 2HG PRO 513 -9.724 1.470 1.437
50 HG3 PRO 513 1HG PRO 513 -10.328 -0.186 1.582
51 HD2 PRO 513 2HD PRO 513 -9.420 1.348 3.698
52 HD3 PRO 513 1HD PRO 513 -9.501 -0.424 3.688
53 H ASN 514 H ASN 514 -8.470 2.109 0.306
54 HA ASN 514 HA ASN 514 -6.428 4.046 -0.101
55 HB2 ASN 514 2HB ASN 514 -8.050 5.206 -1.454
56 HB3 ASN 514 1HB ASN 514 -8.171 3.478 -1.778
57 HD21 ASN 514 1HD2 ASN 514 -10.218 3.119 -2.264
58 HD22 ASN 514 2HD2 ASN 514 -11.581 3.615 -1.325
59 H LEU 515 H LEU 515 -8.029 3.475 2.627
60 HA LEU 515 HA LEU 515 -8.549 6.283 3.270
61 HB2 LEU 515 2HB LEU 515 -9.241 3.755 4.775
62 HB3 LEU 515 1HB LEU 515 -9.628 5.378 5.313
63 HG LEU 515 HG LEU 515 -11.629 4.663 4.385
64 HD11 LEU 515 1HD1 LEU 515 -10.139 6.052 2.161
65 HD12 LEU 515 2HD1 LEU 515 -11.071 6.809 3.453
66 HD13 LEU 515 3HD1 LEU 515 -11.890 5.844 2.224
67 HD21 LEU 515 3HD2 LEU 515 -11.240 3.688 1.830
68 HD22 LEU 515 1HD2 LEU 515 -11.563 2.726 3.272
69 HD23 LEU 515 2HD2 LEU 515 -9.901 2.995 2.745
70 H HIS 516 H HIS 516 -5.930 5.497 2.882
71 HA HIS 516 HA HIS 516 -4.603 6.547 5.069
72 HB2 HIS 516 2HB HIS 516 -5.401 4.027 5.752
73 HB3 HIS 516 1HB HIS 516 -3.804 3.706 5.085
74 HD1 HIS 516 1HD HIS 516 -4.422 3.312 8.090
75 HD2 HIS 516 2HD HIS 516 -2.766 6.755 6.457
76 HE1 HIS 516 1HE HIS 516 -3.201 4.433 9.981
77 HE2 HIS 516 2HE HIS 516 -2.277 6.557 8.988
78 H TYR 517 H TYR 517 -4.564 4.413 2.317
79 HA TYR 517 HA TYR 517 -2.021 3.998 1.610
80 HB2 TYR 517 2HB TYR 517 -2.702 3.942 -0.652
81 HB3 TYR 517 1HB TYR 517 -4.145 3.559 0.270
82 HD1 TYR 517 1HD TYR 517 -5.519 5.822 0.944
83 HD2 TYR 517 2HD TYR 517 -3.017 5.331 -2.458
84 HE1 TYR 517 1HE TYR 517 -6.746 7.616 -0.207
85 HE2 TYR 517 2HE TYR 517 -4.229 7.128 -3.617
86 HH TYR 517 HH TYR 517 -6.236 9.278 -2.087
87 H TRP 518 H TRP 518 -3.651 7.113 1.186
88 HA TRP 518 HA TRP 518 -1.521 8.502 -0.020
89 HB2 TRP 518 2HB TRP 518 -2.799 10.534 0.930
90 HB3 TRP 518 1HB TRP 518 -3.666 9.486 -0.194
91 HD1 TRP 518 HD TRP 518 -3.238 8.246 3.357
92 HE1 TRP 518 1HE TRP 518 -5.506 8.267 4.549
93 HE3 TRP 518 3HE TRP 518 -5.947 10.790 -0.142
94 HZ2 TRP 518 2HZ TRP 518 -8.120 9.248 4.072
95 HZ3 TRP 518 3HZ TRP 518 -8.328 11.232 0.300
96 HH2 TRP 518 HH TRP 518 -9.391 10.474 2.364
97 H THR 519 H THR 519 0.302 7.783 1.286
98 HA THR 519 HA THR 519 0.943 9.675 3.338
99 HB THR 519 HB THR 519 -0.293 8.257 4.760
100 HG1 THR 519 1HG THR 519 1.707 8.755 5.655
101 HG21 THR 519 3HG2 THR 519 1.163 5.768 4.249
102 HG22 THR 519 1HG2 THR 519 0.015 6.264 3.006
103 HG23 THR 519 2HG2 THR 519 -0.529 6.040 4.670
104 H THR 520 H THR 520 1.810 6.415 2.249
105 HA THR 520 HA THR 520 4.517 7.403 1.699
106 HB THR 520 HB THR 520 4.336 5.947 3.791
107 HG1 THR 520 1HG THR 520 6.324 6.198 2.889
108 HG21 THR 520 3HG2 THR 520 4.266 3.631 1.901
109 HG22 THR 520 1HG2 THR 520 2.791 4.255 2.643
110 HG23 THR 520 2HG2 THR 520 4.101 3.645 3.657
111 H GLN 521 H GLN 521 1.724 6.167 0.468
112 HA GLN 521 HA GLN 521 3.038 4.640 -1.625
113 HB2 GLN 521 2HB GLN 521 1.037 3.586 -2.060
114 HB3 GLN 521 1HB GLN 521 0.869 3.913 -0.343
115 HG2 GLN 521 2HG GLN 521 -1.164 4.569 -1.134
116 HG3 GLN 521 1HG GLN 521 -0.285 6.093 -1.153
117 HE21 GLN 521 1HE2 GLN 521 -0.490 7.225 -2.901
118 HE22 GLN 521 2HE2 GLN 521 -0.837 6.633 -4.486
119 H ASP 522 H ASP 522 1.706 7.698 -0.996
120 HA ASP 522 HA ASP 522 1.686 8.371 -3.858
121 HB2 ASP 522 2HB ASP 522 -0.239 8.882 -1.854
122 HB3 ASP 522 1HB ASP 522 0.505 10.431 -2.235
123 H GLU 523 H GLU 523 3.552 8.465 -1.269
124 HA GLU 523 HA GLU 523 4.987 10.875 -2.127
125 HB2 GLU 523 2HB GLU 523 5.094 10.145 0.749
126 HB3 GLU 523 1HB GLU 523 5.148 11.732 -0.010
127 HG2 GLU 523 2HG GLU 523 2.653 11.177 -0.592
128 HG3 GLU 523 1HG GLU 523 2.805 10.083 0.785
129 H GLY 524 H GLY 524 4.921 7.617 -1.131
130 HA2 GLY 524 2HA GLY 524 7.853 7.457 -1.303
131 HA3 GLY 524 1HA GLY 524 6.886 6.418 -0.261
132 H ALA 525 H ALA 525 4.741 6.066 -2.191
133 HA ALA 525 HA ALA 525 6.087 4.101 -3.890
134 HB1 ALA 525 1HB ALA 525 4.183 3.419 -2.398
135 HB2 ALA 525 2HB ALA 525 3.992 2.988 -4.099
136 HB3 ALA 525 3HB ALA 525 3.125 4.372 -3.436
137 H ALA 526 H ALA 526 5.770 7.075 -4.262
138 HA ALA 526 HA ALA 526 4.960 6.966 -7.077
139 HB1 ALA 526 1HB ALA 526 3.091 7.995 -6.090
140 HB2 ALA 526 2HB ALA 526 4.055 9.325 -6.733
141 HB3 ALA 526 3HB ALA 526 4.095 8.962 -5.007
142 H ILE 527 H ILE 527 7.332 7.607 -4.871
143 HA ILE 527 HA ILE 527 8.932 9.039 -6.803
144 HB ILE 527 HB ILE 527 9.595 10.462 -4.582
145 HG12 ILE 527 2HG1 ILE 527 7.325 9.345 -3.688
146 HG13 ILE 527 1HG1 ILE 527 7.841 10.956 -3.208
147 HG21 ILE 527 1HG2 ILE 527 8.466 12.351 -5.653
148 HG22 ILE 527 2HG2 ILE 527 7.570 11.229 -6.676
149 HG23 ILE 527 3HG2 ILE 527 9.323 11.349 -6.825
150 HD11 ILE 527 3HD1 ILE 527 5.392 10.499 -3.988
151 HD12 ILE 527 1HD1 ILE 527 6.094 10.656 -5.599
152 HD13 ILE 527 2HD1 ILE 527 6.219 11.987 -4.450
153 H GLY 528 H GLY 528 8.700 7.665 -3.533
154 HA2 GLY 528 2HA GLY 528 11.515 7.305 -3.214
155 HA3 GLY 528 1HA GLY 528 10.257 6.596 -2.214
156 H LEU 529 H LEU 529 9.977 4.450 -2.335
157 HA LEU 529 HA LEU 529 11.182 3.068 -4.647
158 HB2 LEU 529 2HB LEU 529 10.735 1.858 -1.933
159 HB3 LEU 529 1HB LEU 529 11.728 1.237 -3.235
160 HG LEU 529 HG LEU 529 12.304 3.629 -1.493
161 HD11 LEU 529 1HD1 LEU 529 14.023 2.379 -0.569
162 HD12 LEU 529 2HD1 LEU 529 14.044 1.230 -1.907
163 HD13 LEU 529 3HD1 LEU 529 12.726 1.197 -0.736
164 HD21 LEU 529 3HD2 LEU 529 13.346 2.856 -4.144
165 HD22 LEU 529 1HD2 LEU 529 14.547 3.308 -2.934
166 HD23 LEU 529 2HD2 LEU 529 13.266 4.440 -3.370
167 H ALA 530 H ALA 530 10.032 0.501 -3.726
168 HA ALA 530 HA ALA 530 7.928 -0.578 -3.526
169 HB1 ALA 530 1HB ALA 530 6.810 1.721 -3.403
170 HB2 ALA 530 2HB ALA 530 5.892 0.395 -4.112
171 HB3 ALA 530 3HB ALA 530 6.658 1.594 -5.155
172 H TRP 531 H TRP 531 9.504 0.839 -6.193
173 HA TRP 531 HA TRP 531 8.330 -1.021 -8.117
174 HB2 TRP 531 2HB TRP 531 10.203 0.354 -9.543
175 HB3 TRP 531 1HB TRP 531 8.538 0.884 -9.339
176 HD1 TRP 531 HD TRP 531 11.814 1.308 -7.302
177 HE1 TRP 531 1HE TRP 531 11.902 3.726 -6.463
178 HE3 TRP 531 3HE TRP 531 7.413 3.000 -9.265
179 HZ2 TRP 531 2HZ TRP 531 10.322 6.078 -6.636
180 HZ3 TRP 531 3HZ TRP 531 6.774 5.346 -8.886
181 HH2 TRP 531 HH TRP 531 8.198 6.851 -7.596
182 H ILE 532 H ILE 532 10.277 -1.646 -5.842
183 HA ILE 532 HA ILE 532 12.243 -3.074 -7.509
184 HB ILE 532 HB ILE 532 13.965 -2.765 -5.949
185 HG12 ILE 532 2HG1 ILE 532 12.692 -3.243 -3.902
186 HG13 ILE 532 1HG1 ILE 532 13.675 -1.795 -3.718
187 HG21 ILE 532 1HG2 ILE 532 13.711 -0.770 -7.200
188 HG22 ILE 532 2HG2 ILE 532 14.013 -0.284 -5.531
189 HG23 ILE 532 3HG2 ILE 532 12.376 -0.220 -6.185
190 HD11 ILE 532 3HD1 ILE 532 11.765 -1.005 -2.828
191 HD12 ILE 532 1HD1 ILE 532 10.745 -2.109 -3.752
192 HD13 ILE 532 2HD1 ILE 532 11.399 -0.663 -4.520
193 HA PRO 533 HA PRO 533 10.522 -6.635 -5.466
194 HB2 PRO 533 2HB PRO 533 12.078 -8.525 -6.538
195 HB3 PRO 533 1HB PRO 533 10.917 -7.627 -7.524
196 HG2 PRO 533 2HG PRO 533 13.874 -7.260 -7.275
197 HG3 PRO 533 1HG PRO 533 12.856 -7.197 -8.725
198 HD2 PRO 533 2HD PRO 533 13.748 -4.982 -7.334
199 HD3 PRO 533 1HD PRO 533 12.322 -5.003 -8.388
200 H TYR 534 H TYR 534 12.029 -5.224 -3.672
201 HA TYR 534 HA TYR 534 13.436 -7.366 -2.276
202 HB2 TYR 534 2HB TYR 534 15.273 -6.285 -3.304
203 HB3 TYR 534 1HB TYR 534 14.609 -4.687 -2.989
204 HD1 TYR 534 2HD TYR 534 15.948 -7.690 -1.235
205 HD2 TYR 534 1HD TYR 534 15.311 -3.490 -1.138
206 HE1 TYR 534 2HE TYR 534 17.279 -7.545 0.830
207 HE2 TYR 534 1HE TYR 534 16.638 -3.327 0.929
208 HH TYR 534 HH TYR 534 17.305 -4.821 2.811
209 H PHE 535 H PHE 535 11.930 -4.183 -2.204
210 HA PHE 535 HA PHE 535 11.899 -4.100 0.688
211 HB2 PHE 535 2HB PHE 535 10.903 -2.270 -1.478
212 HB3 PHE 535 1HB PHE 535 10.426 -2.028 0.198
213 HD1 PHE 535 1HD PHE 535 13.451 -2.463 -1.912
214 HD2 PHE 535 2HD PHE 535 11.749 -0.740 1.580
215 HE1 PHE 535 1HE PHE 535 15.538 -1.231 -1.516
216 HE2 PHE 535 2HE PHE 535 13.839 0.489 1.994
217 HZ PHE 535 HZ PHE 535 15.734 0.243 0.450
218 H GLY 536 H GLY 536 10.398 -6.203 -0.962
219 HA2 GLY 536 2HA GLY 536 7.646 -5.792 -0.815
220 HA3 GLY 536 1HA GLY 536 8.431 -7.362 -0.752
221 HA PRO 537 HA PRO 537 6.795 -7.380 3.402
222 HB2 PRO 537 2HB PRO 537 7.380 -9.899 4.046
223 HB3 PRO 537 1HB PRO 537 6.167 -9.533 2.813
224 HG2 PRO 537 2HG PRO 537 9.000 -10.420 2.480
225 HG3 PRO 537 1HG PRO 537 7.560 -10.900 1.566
226 HD2 PRO 537 2HD PRO 537 9.415 -9.000 0.750
227 HD3 PRO 537 1HD PRO 537 7.758 -9.141 0.133
228 H ALA 538 H ALA 538 10.053 -7.400 2.566
229 HA ALA 538 HA ALA 538 11.040 -7.867 5.262
230 HB1 ALA 538 1HB ALA 538 13.153 -8.027 4.361
231 HB2 ALA 538 2HB ALA 538 12.776 -6.955 3.012
232 HB3 ALA 538 3HB ALA 538 12.152 -8.606 3.029
233 H ALA 539 H ALA 539 10.282 -5.216 3.154
234 HA ALA 539 HA ALA 539 11.664 -3.317 4.903
235 HB1 ALA 539 1HB ALA 539 10.378 -3.001 2.204
236 HB2 ALA 539 2HB ALA 539 12.099 -2.941 2.593
237 HB3 ALA 539 3HB ALA 539 11.023 -1.654 3.140
238 H GLU 540 H GLU 540 8.545 -4.514 4.145
239 HA GLU 540 HA GLU 540 6.713 -2.622 4.573
240 HB2 GLU 540 2HB GLU 540 6.905 -5.460 5.129
241 HB3 GLU 540 1HB GLU 540 5.768 -4.650 6.200
242 HG2 GLU 540 2HG GLU 540 4.877 -3.600 3.986
243 HG3 GLU 540 1HG GLU 540 5.690 -4.974 3.239
244 H GLY 541 H GLY 541 7.317 -0.885 5.895
245 HA2 GLY 541 2HA GLY 541 6.408 -0.329 8.214
246 HA3 GLY 541 1HA GLY 541 7.598 -1.493 8.763
247 H ILE 542 H ILE 542 9.047 0.024 6.225
248 HA ILE 542 HA ILE 542 10.383 1.883 8.062
249 HB ILE 542 HB ILE 542 11.348 0.966 5.358
250 HG12 ILE 542 2HG1 ILE 542 12.836 -0.032 7.633
251 HG13 ILE 542 1HG1 ILE 542 11.151 -0.542 7.710
252 HG21 ILE 542 1HG2 ILE 542 12.238 3.127 6.203
253 HG22 ILE 542 2HG2 ILE 542 13.471 1.881 6.010
254 HG23 ILE 542 3HG2 ILE 542 12.856 2.273 7.615
255 HD11 ILE 542 3HD1 ILE 542 12.011 -2.243 6.490
256 HD12 ILE 542 1HD1 ILE 542 13.260 -1.237 5.755
257 HD13 ILE 542 2HD1 ILE 542 11.594 -1.135 5.181
258 H TYR 543 H TYR 543 8.631 1.767 5.020
259 HA TYR 543 HA TYR 543 7.852 4.444 5.148
260 HB2 TYR 543 2HB TYR 543 9.298 4.937 2.866
261 HB3 TYR 543 1HB TYR 543 9.714 5.518 4.475
262 HD1 TYR 543 2HD TYR 543 10.048 2.083 3.053
263 HD2 TYR 543 1HD TYR 543 12.036 5.555 4.498
264 HE1 TYR 543 2HE TYR 543 12.198 0.908 2.902
265 HE2 TYR 543 1HE TYR 543 14.194 4.387 4.351
266 HH TYR 543 HH TYR 543 15.027 2.249 2.779
267 H ILE 544 H ILE 544 8.969 3.277 2.051
268 HA ILE 544 HA ILE 544 6.281 3.263 1.058
269 HB ILE 544 HB ILE 544 8.595 2.229 -0.525
270 HG12 ILE 544 2HG1 ILE 544 8.622 4.907 -1.079
271 HG13 ILE 544 1HG1 ILE 544 8.332 4.917 0.654
272 HG21 ILE 544 1HG2 ILE 544 6.162 3.881 -1.170
273 HG22 ILE 544 2HG2 ILE 544 6.418 2.177 -1.546
274 HG23 ILE 544 3HG2 ILE 544 7.401 3.410 -2.334
275 HD11 ILE 544 3HD1 ILE 544 10.775 4.815 -0.509
276 HD12 ILE 544 1HD1 ILE 544 10.465 3.105 -0.204
277 HD13 ILE 544 2HD1 ILE 544 10.416 4.263 1.127
278 H GLU 545 H GLU 545 8.811 0.779 0.676
279 HA GLU 545 HA GLU 545 8.729 -1.497 0.893
280 HB2 GLU 545 2HB GLU 545 5.908 -1.411 1.905
281 HB3 GLU 545 1HB GLU 545 7.216 -2.505 2.344
282 HG2 GLU 545 2HG GLU 545 7.789 -1.241 4.072
283 HG3 GLU 545 1HG GLU 545 7.890 0.197 3.069
284 H GLY 546 H GLY 546 7.231 -3.421 0.128
285 HA2 GLY 546 2HA GLY 546 6.779 -3.162 -2.585
286 HA3 GLY 546 1HA GLY 546 6.011 -4.384 -1.577
287 H LEU 547 H LEU 547 3.974 -3.937 -0.642
288 HA LEU 547 HA LEU 547 1.768 -3.380 -1.033
289 HB2 LEU 547 2HB LEU 547 1.322 -1.094 -0.272
290 HB3 LEU 547 1HB LEU 547 2.481 -1.923 0.752
291 HG LEU 547 HG LEU 547 4.308 -0.692 -0.465
292 HD11 LEU 547 1HD1 LEU 547 3.341 0.016 -2.480
293 HD12 LEU 547 2HD1 LEU 547 3.496 1.484 -1.518
294 HD13 LEU 547 3HD1 LEU 547 1.928 0.689 -1.666
295 HD21 LEU 547 3HD2 LEU 547 2.228 0.747 1.152
296 HD22 LEU 547 1HD2 LEU 547 3.758 1.494 0.691
297 HD23 LEU 547 2HD2 LEU 547 3.752 0.044 1.695
298 H MET 548 H MET 548 3.201 -3.477 -3.551
299 HA MET 548 HA MET 548 2.615 -1.199 -5.119
300 HB2 MET 548 2HB MET 548 2.867 -4.005 -6.156
301 HB3 MET 548 1HB MET 548 3.188 -2.504 -7.009
302 HG2 MET 548 2HG MET 548 5.296 -2.496 -6.339
303 HG3 MET 548 1HG MET 548 4.814 -2.662 -4.651
304 HE1 MET 548 3HE MET 548 5.179 -6.270 -3.793
305 HE2 MET 548 1HE MET 548 3.612 -5.579 -4.214
306 HE3 MET 548 2HE MET 548 4.789 -4.616 -3.322
307 H HIS 549 H HIS 549 0.317 -1.915 -3.624
308 HA HIS 549 HA HIS 549 -1.550 -2.694 -5.758
309 HB2 HIS 549 2HB HIS 549 -2.220 -2.699 -2.821
310 HB3 HIS 549 1HB HIS 549 -3.029 -3.551 -4.131
311 HD1 HIS 549 1HD HIS 549 -0.955 -4.235 -1.375
312 HD2 HIS 549 2HD HIS 549 -0.999 -5.533 -5.322
313 HE1 HIS 549 1HE HIS 549 0.357 -6.380 -1.391
314 HE2 HIS 549 2HE HIS 549 0.237 -7.194 -3.773
315 H ASN 550 H ASN 550 -0.406 -0.206 -3.786
316 HA ASN 550 HA ASN 550 -0.940 1.987 -3.558
317 HB2 ASN 550 2HB ASN 550 -2.453 1.214 -5.992
318 HB3 ASN 550 1HB ASN 550 -2.898 2.735 -5.225
319 HD21 ASN 550 1HD2 ASN 550 0.301 1.278 -5.298
320 HD22 ASN 550 2HD2 ASN 550 1.048 2.521 -6.236
321 H GLN 551 H GLN 551 -3.873 0.009 -3.900
322 HA GLN 551 HA GLN 551 -5.510 -0.353 -2.339
323 HB2 GLN 551 2HB GLN 551 -4.634 2.136 -0.889
324 HB3 GLN 551 1HB GLN 551 -5.709 0.875 -0.310
325 HG2 GLN 551 2HG GLN 551 -3.724 -0.700 -0.587
326 HG3 GLN 551 1HG GLN 551 -2.746 0.761 -0.697
327 HE21 GLN 551 1HE2 GLN 551 -3.869 -1.535 1.356
328 HE22 GLN 551 2HE2 GLN 551 -3.746 -0.678 2.851
329 H ASP 552 H ASP 552 -7.491 0.008 -2.877
330 HA ASP 552 HA ASP 552 -8.579 2.638 -3.269
331 HB2 ASP 552 2HB ASP 552 -7.370 1.670 -5.473
332 HB3 ASP 552 1HB ASP 552 -8.965 0.948 -5.671
333 H GLY 553 H GLY 553 -9.458 1.073 -1.374
334 HA2 GLY 553 2HA GLY 553 -11.474 0.303 -0.553
335 HA3 GLY 553 1HA GLY 553 -12.148 0.472 -2.166
336 H LEU 554 H LEU 554 -9.426 -1.489 -0.991
337 HA LEU 554 HA LEU 554 -10.789 -3.860 -2.086
338 HB2 LEU 554 2HB LEU 554 -7.860 -3.716 -1.458
339 HB3 LEU 554 1HB LEU 554 -8.695 -4.814 -2.540
340 HG LEU 554 HG LEU 554 -8.183 -1.879 -3.024
341 HD11 LEU 554 1HD1 LEU 554 -6.191 -2.726 -3.632
342 HD12 LEU 554 2HD1 LEU 554 -7.064 -3.219 -5.084
343 HD13 LEU 554 3HD1 LEU 554 -6.814 -4.372 -3.773
344 HD21 LEU 554 3HD2 LEU 554 -10.276 -2.349 -4.009
345 HD22 LEU 554 1HD2 LEU 554 -9.736 -3.927 -4.585
346 HD23 LEU 554 2HD2 LEU 554 -9.095 -2.454 -5.314
347 H ILE 555 H ILE 555 -9.558 -2.413 0.765
348 HA ILE 555 HA ILE 555 -9.774 -4.949 2.229
349 HB ILE 555 HB ILE 555 -8.450 -2.430 3.216
350 HG12 ILE 555 2HG1 ILE 555 -6.581 -4.508 2.548
351 HG13 ILE 555 1HG1 ILE 555 -7.561 -4.136 1.133
352 HG21 ILE 555 1HG2 ILE 555 -9.244 -4.633 4.587
353 HG22 ILE 555 2HG2 ILE 555 -7.917 -3.575 5.065
354 HG23 ILE 555 3HG2 ILE 555 -7.584 -5.058 4.170
355 HD11 ILE 555 3HD1 ILE 555 -5.317 -2.813 1.863
356 HD12 ILE 555 1HD1 ILE 555 -6.570 -1.793 2.570
357 HD13 ILE 555 2HD1 ILE 555 -6.593 -2.147 0.843
358 H CYS 556 H CYS 556 -11.089 -1.786 1.870
359 HA CYS 556 HA CYS 556 -12.548 -1.871 4.367
360 HB2 CYS 556 2HB CYS 556 -11.584 0.226 3.078
361 HB3 CYS 556 1HB CYS 556 -13.113 0.135 2.218
362 H GLY 557 H GLY 557 -12.984 -3.956 2.454
363 HA2 GLY 557 2HA GLY 557 -15.608 -4.498 2.668
364 HA3 GLY 557 1HA GLY 557 -15.526 -3.514 1.209
365 H LEU 558 H LEU 558 -15.432 -4.670 -0.555
366 HA LEU 558 HA LEU 558 -13.538 -6.827 -0.806
367 HB2 LEU 558 2HB LEU 558 -16.154 -7.716 -1.758
368 HB3 LEU 558 1HB LEU 558 -14.919 -8.594 -0.877
369 HG LEU 558 HG LEU 558 -16.671 -6.623 0.553
370 HD11 LEU 558 1HD1 LEU 558 -17.395 -9.517 0.261
371 HD12 LEU 558 2HD1 LEU 558 -18.032 -8.279 -0.822
372 HD13 LEU 558 3HD1 LEU 558 -18.363 -8.192 0.908
373 HD21 LEU 558 3HD2 LEU 558 -14.571 -8.356 1.286
374 HD22 LEU 558 1HD2 LEU 558 -16.051 -9.034 1.965
375 HD23 LEU 558 2HD2 LEU 558 -15.586 -7.374 2.341
376 H ARG 559 H ARG 559 -16.157 -4.944 -2.216
377 HA ARG 559 HA ARG 559 -14.625 -4.746 -4.696
378 HB2 ARG 559 2HB ARG 559 -16.917 -4.926 -5.902
379 HB3 ARG 559 1HB ARG 559 -16.093 -6.399 -5.413
380 HG2 ARG 559 2HG ARG 559 -17.604 -6.862 -3.752
381 HG3 ARG 559 1HG ARG 559 -18.067 -5.170 -3.555
382 HD2 ARG 559 2HD ARG 559 -19.144 -5.283 -5.802
383 HD3 ARG 559 1HD ARG 559 -18.813 -7.015 -5.815
384 HE ARG 559 HE ARG 559 -20.174 -6.471 -3.462
385 HH11 ARG 559 1HH1 ARG 559 -20.775 -6.268 -6.894
386 HH12 ARG 559 2HH1 ARG 559 -22.480 -6.527 -6.737
387 HH21 ARG 559 1HH2 ARG 559 -22.417 -6.812 -3.254
388 HH22 ARG 559 2HH2 ARG 559 -23.413 -6.836 -4.672
389 H GLN 560 H GLN 560 -14.701 -2.835 -2.772
390 HA GLN 560 HA GLN 560 -16.664 -0.946 -2.673
391 HB2 GLN 560 2HB GLN 560 -13.684 -0.468 -2.832
392 HB3 GLN 560 1HB GLN 560 -14.857 0.745 -2.343
393 HG2 GLN 560 2HG GLN 560 -13.961 -1.709 -0.895
394 HG3 GLN 560 1HG GLN 560 -14.035 -0.040 -0.327
395 HE21 GLN 560 1HE2 GLN 560 -15.937 -2.877 -1.124
396 HE22 GLN 560 2HE2 GLN 560 -17.307 -2.469 -0.157
Start of MODEL 15
1 H1 ALA 507 1HT ALA 507 -11.270 -11.812 -1.568
2 H2 ALA 507 2HT ALA 507 -10.110 -12.323 -0.412
3 H3 ALA 507 3HT ALA 507 -9.855 -10.880 -1.305
4 HA ALA 507 HA ALA 507 -11.563 -9.780 -0.235
5 HB1 ALA 507 2HB ALA 507 -13.209 -11.539 -0.216
6 HB2 ALA 507 3HB ALA 507 -13.000 -10.920 1.423
7 HB3 ALA 507 1HB ALA 507 -12.267 -12.456 0.962
8 H GLN 508 H GLN 508 -11.528 -8.981 1.994
9 HA GLN 508 HA GLN 508 -9.873 -10.040 3.994
10 HB2 GLN 508 2HB GLN 508 -8.055 -8.236 3.810
11 HB3 GLN 508 1HB GLN 508 -7.949 -9.625 2.737
12 HG2 GLN 508 2HG GLN 508 -9.212 -8.135 1.052
13 HG3 GLN 508 1HG GLN 508 -8.715 -6.808 2.100
14 HE21 GLN 508 1HE2 GLN 508 -7.971 -7.996 -0.685
15 HE22 GLN 508 2HE2 GLN 508 -6.246 -7.894 -0.684
16 HA PRO 509 HA PRO 509 -12.197 -6.628 5.775
17 HB2 PRO 509 2HB PRO 509 -12.733 -7.732 8.077
18 HB3 PRO 509 1HB PRO 509 -13.315 -8.541 6.610
19 HG2 PRO 509 2HG PRO 509 -10.887 -9.137 8.258
20 HG3 PRO 509 1HG PRO 509 -12.103 -10.271 7.638
21 HD2 PRO 509 2HD PRO 509 -9.667 -9.694 6.413
22 HD3 PRO 509 1HD PRO 509 -11.073 -10.397 5.589
23 H LYS 510 H LYS 510 -11.011 -4.887 6.265
24 HA LYS 510 HA LYS 510 -9.631 -4.743 8.781
25 HB2 LYS 510 2HB LYS 510 -8.142 -4.731 6.198
26 HB3 LYS 510 1HB LYS 510 -7.591 -3.674 7.488
27 HG2 LYS 510 2HG LYS 510 -7.893 -6.665 7.648
28 HG3 LYS 510 1HG LYS 510 -6.380 -5.772 7.504
29 HD2 LYS 510 2HD LYS 510 -6.286 -5.502 9.708
30 HD3 LYS 510 1HD LYS 510 -7.877 -4.740 9.715
31 HE2 LYS 510 2HE LYS 510 -7.579 -6.830 11.141
32 HE3 LYS 510 1HE LYS 510 -8.975 -6.781 10.066
33 HZ1 LYS 510 3HZ LYS 510 -6.493 -7.990 9.079
34 HZ2 LYS 510 1HZ LYS 510 -8.100 -8.368 8.703
35 HZ3 LYS 510 2HZ LYS 510 -7.434 -8.872 10.174
36 H CYS 511 H CYS 511 -10.137 -3.162 5.703
37 HA CYS 511 HA CYS 511 -10.992 -1.161 5.134
38 HB2 CYS 511 2HB CYS 511 -12.005 -1.537 7.786
39 HB3 CYS 511 1HB CYS 511 -11.628 0.161 7.531
40 H ASN 512 H ASN 512 -8.314 -1.422 5.309
41 HA ASN 512 HA ASN 512 -7.559 1.296 6.078
42 HB2 ASN 512 2HB ASN 512 -6.721 -0.192 7.830
43 HB3 ASN 512 1HB ASN 512 -5.896 -1.168 6.621
44 HD21 ASN 512 1HD2 ASN 512 -5.925 2.246 6.118
45 HD22 ASN 512 2HD2 ASN 512 -4.295 2.541 6.599
46 HA PRO 513 HA PRO 513 -5.814 -0.104 1.900
47 HB2 PRO 513 2HB PRO 513 -7.762 0.144 0.129
48 HB3 PRO 513 1HB PRO 513 -7.715 -1.267 1.189
49 HG2 PRO 513 2HG PRO 513 -9.358 1.231 1.461
50 HG3 PRO 513 1HG PRO 513 -9.866 -0.455 1.622
51 HD2 PRO 513 2HD PRO 513 -9.218 1.166 3.747
52 HD3 PRO 513 1HD PRO 513 -9.109 -0.607 3.770
53 H ASN 514 H ASN 514 -8.104 1.896 0.352
54 HA ASN 514 HA ASN 514 -6.180 3.911 -0.153
55 HB2 ASN 514 2HB ASN 514 -7.652 4.692 -1.751
56 HB3 ASN 514 1HB ASN 514 -8.149 3.009 -1.615
57 HD21 ASN 514 1HD2 ASN 514 -10.151 2.519 -0.873
58 HD22 ASN 514 2HD2 ASN 514 -11.352 3.700 -0.491
59 H LEU 515 H LEU 515 -7.982 3.438 2.553
60 HA LEU 515 HA LEU 515 -8.508 6.276 3.008
61 HB2 LEU 515 2HB LEU 515 -9.240 3.866 4.675
62 HB3 LEU 515 1HB LEU 515 -9.723 5.519 5.006
63 HG LEU 515 HG LEU 515 -11.622 4.659 4.007
64 HD11 LEU 515 1HD1 LEU 515 -10.994 6.680 2.841
65 HD12 LEU 515 2HD1 LEU 515 -11.738 5.549 1.709
66 HD13 LEU 515 3HD1 LEU 515 -9.985 5.761 1.723
67 HD21 LEU 515 3HD2 LEU 515 -9.890 3.208 2.005
68 HD22 LEU 515 1HD2 LEU 515 -11.649 3.115 2.129
69 HD23 LEU 515 2HD2 LEU 515 -10.636 2.482 3.428
70 H HIS 516 H HIS 516 -5.877 5.704 2.810
71 HA HIS 516 HA HIS 516 -4.705 6.860 4.998
72 HB2 HIS 516 2HB HIS 516 -5.384 4.177 5.609
73 HB3 HIS 516 1HB HIS 516 -3.635 4.226 5.416
74 HD1 HIS 516 1HD HIS 516 -5.515 4.000 8.113
75 HD2 HIS 516 2HD HIS 516 -3.146 7.171 6.848
76 HE1 HIS 516 1HE HIS 516 -4.994 5.321 10.189
77 HE2 HIS 516 2HE HIS 516 -3.490 7.186 9.411
78 H TYR 517 H TYR 517 -4.421 4.534 2.416
79 HA TYR 517 HA TYR 517 -1.798 4.197 1.943
80 HB2 TYR 517 2HB TYR 517 -2.305 3.850 -0.334
81 HB3 TYR 517 1HB TYR 517 -3.795 3.486 0.522
82 HD1 TYR 517 1HD TYR 517 -5.284 5.768 0.868
83 HD2 TYR 517 2HD TYR 517 -2.597 4.969 -2.330
84 HE1 TYR 517 1HE TYR 517 -6.518 7.351 -0.551
85 HE2 TYR 517 2HE TYR 517 -3.816 6.556 -3.758
86 HH TYR 517 HH TYR 517 -6.869 7.802 -2.932
87 H TRP 518 H TRP 518 -3.578 7.156 1.191
88 HA TRP 518 HA TRP 518 -1.472 8.550 -0.063
89 HB2 TRP 518 2HB TRP 518 -2.878 10.589 0.679
90 HB3 TRP 518 1HB TRP 518 -3.634 9.426 -0.410
91 HD1 TRP 518 HD TRP 518 -3.359 8.504 3.265
92 HE1 TRP 518 1HE TRP 518 -5.703 8.503 4.312
93 HE3 TRP 518 3HE TRP 518 -5.966 10.562 -0.611
94 HZ2 TRP 518 2HZ TRP 518 -8.324 9.283 3.590
95 HZ3 TRP 518 3HZ TRP 518 -8.391 10.903 -0.357
96 HH2 TRP 518 HH TRP 518 -9.544 10.273 1.703
97 H THR 519 H THR 519 0.337 8.057 1.333
98 HA THR 519 HA THR 519 0.874 10.123 3.209
99 HB THR 519 HB THR 519 -0.509 8.876 4.691
100 HG1 THR 519 1HG THR 519 2.158 8.126 5.273
101 HG21 THR 519 3HG2 THR 519 -0.611 6.638 4.975
102 HG22 THR 519 1HG2 THR 519 1.080 6.391 4.541
103 HG23 THR 519 2HG2 THR 519 -0.117 6.690 3.280
104 H THR 520 H THR 520 1.719 6.733 2.593
105 HA THR 520 HA THR 520 4.503 7.575 2.186
106 HB THR 520 HB THR 520 4.207 6.300 4.304
107 HG1 THR 520 1HG THR 520 5.711 5.153 2.208
108 HG21 THR 520 3HG2 THR 520 2.656 4.674 4.212
109 HG22 THR 520 1HG2 THR 520 4.040 3.702 3.710
110 HG23 THR 520 2HG2 THR 520 2.932 4.350 2.500
111 H GLN 521 H GLN 521 1.767 6.414 0.763
112 HA GLN 521 HA GLN 521 3.191 4.723 -1.117
113 HB2 GLN 521 2HB GLN 521 1.229 3.646 -1.576
114 HB3 GLN 521 1HB GLN 521 0.841 4.221 0.038
115 HG2 GLN 521 2HG GLN 521 -1.040 4.738 -1.196
116 HG3 GLN 521 1HG GLN 521 -0.161 6.261 -1.145
117 HE21 GLN 521 1HE2 GLN 521 -0.643 7.227 -2.979
118 HE22 GLN 521 2HE2 GLN 521 -0.459 6.549 -4.556
119 H ASP 522 H ASP 522 1.275 7.614 -0.916
120 HA ASP 522 HA ASP 522 1.638 8.226 -3.730
121 HB2 ASP 522 2HB ASP 522 -0.330 8.852 -1.875
122 HB3 ASP 522 1HB ASP 522 0.531 10.370 -2.102
123 H GLU 523 H GLU 523 3.544 8.368 -1.183
124 HA GLU 523 HA GLU 523 5.055 10.664 -2.187
125 HB2 GLU 523 2HB GLU 523 5.102 10.157 0.744
126 HB3 GLU 523 1HB GLU 523 5.275 11.672 -0.134
127 HG2 GLU 523 2HG GLU 523 2.745 11.208 -0.715
128 HG3 GLU 523 1HG GLU 523 2.823 10.271 0.778
129 H GLY 524 H GLY 524 4.874 7.536 -0.785
130 HA2 GLY 524 2HA GLY 524 7.800 7.253 -0.975
131 HA3 GLY 524 1HA GLY 524 6.795 6.343 0.146
132 H ALA 525 H ALA 525 4.679 6.012 -1.930
133 HA ALA 525 HA ALA 525 5.986 3.831 -3.394
134 HB1 ALA 525 1HB ALA 525 3.857 2.748 -3.527
135 HB2 ALA 525 2HB ALA 525 3.030 4.185 -2.921
136 HB3 ALA 525 3HB ALA 525 4.094 3.265 -1.857
137 H ALA 526 H ALA 526 5.832 6.728 -4.065
138 HA ALA 526 HA ALA 526 4.907 6.398 -6.827
139 HB1 ALA 526 1HB ALA 526 4.089 8.833 -6.640
140 HB2 ALA 526 2HB ALA 526 4.063 8.523 -4.903
141 HB3 ALA 526 3HB ALA 526 3.075 7.545 -5.989
142 H ILE 527 H ILE 527 7.347 7.253 -4.770
143 HA ILE 527 HA ILE 527 8.830 8.561 -6.900
144 HB ILE 527 HB ILE 527 9.667 10.024 -4.734
145 HG12 ILE 527 2HG1 ILE 527 7.429 8.998 -3.700
146 HG13 ILE 527 1HG1 ILE 527 7.956 10.636 -3.336
147 HG21 ILE 527 1HG2 ILE 527 8.099 11.822 -5.831
148 HG22 ILE 527 2HG2 ILE 527 7.875 10.563 -7.046
149 HG23 ILE 527 3HG2 ILE 527 9.492 11.177 -6.698
150 HD11 ILE 527 3HD1 ILE 527 5.483 10.126 -4.000
151 HD12 ILE 527 1HD1 ILE 527 6.128 10.191 -5.642
152 HD13 ILE 527 2HD1 ILE 527 6.285 11.588 -4.577
153 H GLY 528 H GLY 528 8.782 7.139 -3.669
154 HA2 GLY 528 2HA GLY 528 11.601 6.841 -3.438
155 HA3 GLY 528 1HA GLY 528 10.390 6.038 -2.454
156 H LEU 529 H LEU 529 10.496 3.903 -2.559
157 HA LEU 529 HA LEU 529 11.176 2.666 -5.138
158 HB2 LEU 529 2HB LEU 529 12.250 1.929 -2.432
159 HB3 LEU 529 1HB LEU 529 12.489 0.972 -3.873
160 HG LEU 529 HG LEU 529 13.499 3.780 -3.426
161 HD11 LEU 529 1HD1 LEU 529 14.925 2.496 -2.169
162 HD12 LEU 529 2HD1 LEU 529 15.714 2.428 -3.744
163 HD13 LEU 529 3HD1 LEU 529 14.727 1.074 -3.193
164 HD21 LEU 529 3HD2 LEU 529 14.722 3.394 -5.547
165 HD22 LEU 529 1HD2 LEU 529 12.972 3.469 -5.749
166 HD23 LEU 529 2HD2 LEU 529 13.796 1.910 -5.771
167 H ALA 530 H ALA 530 8.984 2.191 -5.480
168 HA ALA 530 HA ALA 530 7.872 0.042 -3.775
169 HB1 ALA 530 1HB ALA 530 5.918 1.315 -5.484
170 HB2 ALA 530 2HB ALA 530 6.713 2.488 -4.438
171 HB3 ALA 530 3HB ALA 530 5.900 1.090 -3.736
172 H TRP 531 H TRP 531 8.536 1.235 -6.934
173 HA TRP 531 HA TRP 531 7.326 -0.807 -8.503
174 HB2 TRP 531 2HB TRP 531 9.246 0.235 -10.119
175 HB3 TRP 531 1HB TRP 531 7.713 1.047 -9.809
176 HD1 TRP 531 HD TRP 531 11.225 0.969 -8.160
177 HE1 TRP 531 1HE TRP 531 11.744 3.328 -7.291
178 HE3 TRP 531 3HE TRP 531 6.876 3.286 -9.507
179 HZ2 TRP 531 2HZ TRP 531 10.473 5.868 -7.214
180 HZ3 TRP 531 3HZ TRP 531 6.601 5.677 -9.000
181 HH2 TRP 531 HH TRP 531 8.357 6.942 -7.874
182 H ILE 532 H ILE 532 10.192 -0.583 -6.667
183 HA ILE 532 HA ILE 532 11.534 -2.736 -8.118
184 HB ILE 532 HB ILE 532 12.837 -0.761 -7.624
185 HG12 ILE 532 2HG1 ILE 532 13.806 -2.851 -5.688
186 HG13 ILE 532 1HG1 ILE 532 13.858 -3.105 -7.434
187 HG21 ILE 532 1HG2 ILE 532 11.440 -0.854 -5.152
188 HG22 ILE 532 2HG2 ILE 532 12.487 0.415 -5.790
189 HG23 ILE 532 3HG2 ILE 532 13.172 -0.889 -4.821
190 HD11 ILE 532 3HD1 ILE 532 15.721 -1.927 -7.582
191 HD12 ILE 532 1HD1 ILE 532 15.726 -1.773 -5.824
192 HD13 ILE 532 2HD1 ILE 532 14.939 -0.540 -6.815
193 HA PRO 533 HA PRO 533 9.661 -5.224 -4.731
194 HB2 PRO 533 2HB PRO 533 9.758 -7.576 -6.082
195 HB3 PRO 533 1HB PRO 533 8.454 -6.402 -6.296
196 HG2 PRO 533 2HG PRO 533 10.879 -6.868 -7.991
197 HG3 PRO 533 1HG PRO 533 9.199 -6.596 -8.493
198 HD2 PRO 533 2HD PRO 533 11.059 -4.635 -8.543
199 HD3 PRO 533 1HD PRO 533 9.348 -4.313 -8.198
200 H TYR 534 H TYR 534 11.930 -4.556 -3.907
201 HA TYR 534 HA TYR 534 13.825 -6.785 -4.096
202 HB2 TYR 534 2HB TYR 534 14.780 -4.622 -4.616
203 HB3 TYR 534 1HB TYR 534 14.160 -3.946 -3.114
204 HD1 TYR 534 2HD TYR 534 15.896 -7.188 -3.668
205 HD2 TYR 534 1HD TYR 534 16.071 -3.302 -1.951
206 HE1 TYR 534 2HE TYR 534 17.996 -7.791 -2.537
207 HE2 TYR 534 1HE TYR 534 18.171 -3.891 -0.812
208 HH TYR 534 HH TYR 534 20.110 -6.185 -1.603
209 H PHE 535 H PHE 535 11.865 -4.953 -1.843
210 HA PHE 535 HA PHE 535 12.651 -6.835 0.283
211 HB2 PHE 535 2HB PHE 535 11.515 -4.577 1.522
212 HB3 PHE 535 1HB PHE 535 13.201 -5.075 1.547
213 HD1 PHE 535 1HD PHE 535 10.811 -3.247 -0.663
214 HD2 PHE 535 2HD PHE 535 14.776 -3.566 0.847
215 HE1 PHE 535 1HE PHE 535 11.430 -1.194 -1.869
216 HE2 PHE 535 2HE PHE 535 15.402 -1.511 -0.354
217 HZ PHE 535 HZ PHE 535 13.727 -0.322 -1.710
218 H GLY 536 H GLY 536 10.007 -4.986 -1.153
219 HA2 GLY 536 2HA GLY 536 7.730 -5.279 -1.076
220 HA3 GLY 536 1HA GLY 536 8.090 -6.981 -0.830
221 HA PRO 537 HA PRO 537 6.131 -6.291 3.124
222 HB2 PRO 537 2HB PRO 537 6.406 -8.766 4.140
223 HB3 PRO 537 1HB PRO 537 5.268 -8.411 2.834
224 HG2 PRO 537 2HG PRO 537 8.003 -9.623 2.687
225 HG3 PRO 537 1HG PRO 537 6.520 -10.104 1.841
226 HD2 PRO 537 2HD PRO 537 8.482 -8.601 0.689
227 HD3 PRO 537 1HD PRO 537 6.774 -8.496 0.223
228 H ALA 538 H ALA 538 9.398 -6.773 2.572
229 HA ALA 538 HA ALA 538 10.215 -7.050 5.331
230 HB1 ALA 538 1HB ALA 538 12.207 -6.272 3.299
231 HB2 ALA 538 2HB ALA 538 11.385 -7.809 3.034
232 HB3 ALA 538 3HB ALA 538 12.272 -7.532 4.533
233 H ALA 539 H ALA 539 9.464 -4.500 3.169
234 HA ALA 539 HA ALA 539 10.998 -2.522 4.665
235 HB1 ALA 539 1HB ALA 539 11.138 -1.921 2.465
236 HB2 ALA 539 2HB ALA 539 9.690 -1.020 2.918
237 HB3 ALA 539 3HB ALA 539 9.542 -2.565 2.082
238 H GLU 540 H GLU 540 7.933 -3.925 4.542
239 HA GLU 540 HA GLU 540 6.038 -2.147 5.152
240 HB2 GLU 540 2HB GLU 540 6.575 -4.916 5.750
241 HB3 GLU 540 1HB GLU 540 5.610 -4.168 7.020
242 HG2 GLU 540 2HG GLU 540 4.183 -3.287 5.032
243 HG3 GLU 540 1HG GLU 540 4.964 -4.593 4.141
244 H GLY 541 H GLY 541 6.633 -0.290 6.266
245 HA2 GLY 541 2HA GLY 541 6.112 0.469 8.581
246 HA3 GLY 541 1HA GLY 541 7.312 -0.692 9.109
247 H ILE 542 H ILE 542 8.716 0.401 6.438
248 HA ILE 542 HA ILE 542 10.131 2.496 7.928
249 HB ILE 542 HB ILE 542 11.097 1.320 5.346
250 HG12 ILE 542 2HG1 ILE 542 12.165 0.195 7.866
251 HG13 ILE 542 1HG1 ILE 542 10.542 -0.325 7.419
252 HG21 ILE 542 1HG2 ILE 542 12.546 2.494 7.712
253 HG22 ILE 542 2HG2 ILE 542 12.179 3.341 6.210
254 HG23 ILE 542 3HG2 ILE 542 13.276 1.961 6.198
255 HD11 ILE 542 3HD1 ILE 542 11.662 -0.727 5.090
256 HD12 ILE 542 1HD1 ILE 542 11.790 -1.918 6.386
257 HD13 ILE 542 2HD1 ILE 542 13.132 -0.819 6.064
258 H TYR 543 H TYR 543 8.386 1.886 4.946
259 HA TYR 543 HA TYR 543 7.586 4.529 4.607
260 HB2 TYR 543 2HB TYR 543 9.085 4.806 2.383
261 HB3 TYR 543 1HB TYR 543 9.544 5.465 3.947
262 HD1 TYR 543 2HD TYR 543 9.718 1.887 2.948
263 HD2 TYR 543 1HD TYR 543 11.887 5.464 3.731
264 HE1 TYR 543 2HE TYR 543 11.825 0.624 2.852
265 HE2 TYR 543 1HE TYR 543 13.999 4.210 3.636
266 HH TYR 543 HH TYR 543 14.237 1.097 2.389
267 H ILE 544 H ILE 544 8.811 3.059 1.704
268 HA ILE 544 HA ILE 544 6.327 2.948 0.455
269 HB ILE 544 HB ILE 544 8.627 1.166 -0.304
270 HG12 ILE 544 2HG1 ILE 544 8.930 3.480 -1.775
271 HG13 ILE 544 1HG1 ILE 544 8.525 4.090 -0.173
272 HG21 ILE 544 1HG2 ILE 544 7.536 2.338 -2.552
273 HG22 ILE 544 2HG2 ILE 544 6.139 2.029 -1.521
274 HG23 ILE 544 3HG2 ILE 544 7.218 0.705 -1.965
275 HD11 ILE 544 3HD1 ILE 544 10.793 3.972 -0.015
276 HD12 ILE 544 1HD1 ILE 544 10.910 2.572 -1.081
277 HD13 ILE 544 2HD1 ILE 544 10.360 2.370 0.583
278 H GLU 545 H GLU 545 8.302 0.119 1.341
279 HA GLU 545 HA GLU 545 7.710 -1.871 2.308
280 HB2 GLU 545 2HB GLU 545 4.805 -1.093 2.231
281 HB3 GLU 545 1HB GLU 545 5.608 -2.242 3.293
282 HG2 GLU 545 2HG GLU 545 6.748 -0.426 4.437
283 HG3 GLU 545 1HG GLU 545 5.999 0.744 3.357
284 H GLY 546 H GLY 546 7.530 -1.015 -0.622
285 HA2 GLY 546 2HA GLY 546 7.291 -2.187 -2.586
286 HA3 GLY 546 1HA GLY 546 6.837 -3.589 -1.631
287 H LEU 547 H LEU 547 4.566 -3.218 -0.540
288 HA LEU 547 HA LEU 547 2.363 -3.481 -1.027
289 HB2 LEU 547 2HB LEU 547 1.255 -1.291 -1.670
290 HB3 LEU 547 1HB LEU 547 2.177 -1.331 -0.183
291 HG LEU 547 HG LEU 547 3.998 -0.422 -2.090
292 HD11 LEU 547 1HD1 LEU 547 1.633 -0.088 -3.325
293 HD12 LEU 547 2HD1 LEU 547 3.018 0.978 -3.549
294 HD13 LEU 547 3HD1 LEU 547 1.735 1.422 -2.422
295 HD21 LEU 547 3HD2 LEU 547 3.290 0.251 0.375
296 HD22 LEU 547 1HD2 LEU 547 2.459 1.539 -0.497
297 HD23 LEU 547 2HD2 LEU 547 4.203 1.337 -0.672
298 H MET 548 H MET 548 3.121 -1.305 -3.749
299 HA MET 548 HA MET 548 3.047 -1.644 -6.011
300 HB2 MET 548 2HB MET 548 2.144 -4.476 -5.550
301 HB3 MET 548 1HB MET 548 2.921 -3.801 -6.974
302 HG2 MET 548 2HG MET 548 4.977 -4.070 -6.138
303 HG3 MET 548 1HG MET 548 4.496 -3.568 -4.521
304 HE1 MET 548 3HE MET 548 3.292 -6.034 -2.648
305 HE2 MET 548 1HE MET 548 4.391 -4.663 -2.797
306 HE3 MET 548 2HE MET 548 5.035 -6.292 -2.595
307 H HIS 549 H HIS 549 0.445 -2.608 -3.938
308 HA HIS 549 HA HIS 549 -1.537 -2.450 -6.047
309 HB2 HIS 549 2HB HIS 549 -3.019 -2.614 -3.781
310 HB3 HIS 549 1HB HIS 549 -2.374 -4.014 -4.629
311 HD1 HIS 549 1HD HIS 549 -0.743 -1.637 -2.137
312 HD2 HIS 549 2HD HIS 549 -1.467 -5.687 -2.708
313 HE1 HIS 549 1HE HIS 549 0.449 -2.800 -0.258
314 HE2 HIS 549 2HE HIS 549 -0.104 -5.243 -0.554
315 H ASN 550 H ASN 550 -0.219 -0.468 -3.531
316 HA ASN 550 HA ASN 550 -0.447 1.753 -3.063
317 HB2 ASN 550 2HB ASN 550 -2.300 1.836 -5.458
318 HB3 ASN 550 1HB ASN 550 -1.588 3.226 -4.646
319 HD21 ASN 550 1HD2 ASN 550 -1.050 0.579 -6.802
320 HD22 ASN 550 2HD2 ASN 550 0.517 1.064 -7.342
321 H GLN 551 H GLN 551 -3.074 -0.408 -3.140
322 HA GLN 551 HA GLN 551 -4.907 -0.604 -1.844
323 HB2 GLN 551 2HB GLN 551 -4.037 1.930 -0.469
324 HB3 GLN 551 1HB GLN 551 -5.117 0.691 0.147
325 HG2 GLN 551 2HG GLN 551 -3.229 -0.913 0.068
326 HG3 GLN 551 1HG GLN 551 -2.171 0.431 -0.358
327 HE21 GLN 551 1HE2 GLN 551 -3.257 -1.415 2.128
328 HE22 GLN 551 2HE2 GLN 551 -2.941 -0.346 3.448
329 H ASP 552 H ASP 552 -6.805 -0.306 -2.616
330 HA ASP 552 HA ASP 552 -7.922 2.322 -3.045
331 HB2 ASP 552 2HB ASP 552 -6.610 1.329 -5.176
332 HB3 ASP 552 1HB ASP 552 -8.185 0.583 -5.428
333 H GLY 553 H GLY 553 -8.915 0.865 -1.157
334 HA2 GLY 553 2HA GLY 553 -10.939 0.045 -0.416
335 HA3 GLY 553 1HA GLY 553 -11.537 0.157 -2.066
336 H LEU 554 H LEU 554 -8.968 -1.724 -0.458
337 HA LEU 554 HA LEU 554 -10.037 -4.123 -1.785
338 HB2 LEU 554 2HB LEU 554 -7.302 -3.851 -0.562
339 HB3 LEU 554 1HB LEU 554 -7.864 -5.067 -1.695
340 HG LEU 554 HG LEU 554 -7.261 -2.170 -2.263
341 HD11 LEU 554 1HD1 LEU 554 -5.773 -3.280 -3.988
342 HD12 LEU 554 2HD1 LEU 554 -6.072 -4.790 -3.127
343 HD13 LEU 554 3HD1 LEU 554 -5.285 -3.445 -2.301
344 HD21 LEU 554 3HD2 LEU 554 -9.261 -2.649 -3.476
345 HD22 LEU 554 1HD2 LEU 554 -8.636 -4.215 -3.997
346 HD23 LEU 554 2HD2 LEU 554 -7.915 -2.728 -4.612
347 H ILE 555 H ILE 555 -8.958 -2.809 1.291
348 HA ILE 555 HA ILE 555 -9.844 -5.265 2.633
349 HB ILE 555 HB ILE 555 -8.788 -3.718 4.640
350 HG12 ILE 555 2HG1 ILE 555 -7.977 -2.125 2.829
351 HG13 ILE 555 1HG1 ILE 555 -6.752 -2.722 3.939
352 HG21 ILE 555 1HG2 ILE 555 -6.955 -5.280 4.627
353 HG22 ILE 555 2HG2 ILE 555 -7.282 -5.701 2.946
354 HG23 ILE 555 3HG2 ILE 555 -8.447 -6.119 4.203
355 HD11 ILE 555 3HD1 ILE 555 -6.424 -2.661 1.293
356 HD12 ILE 555 1HD1 ILE 555 -7.133 -4.268 1.455
357 HD13 ILE 555 2HD1 ILE 555 -5.658 -3.862 2.331
358 H CYS 556 H CYS 556 -10.665 -1.975 2.117
359 HA CYS 556 HA CYS 556 -12.627 -1.979 4.288
360 HB2 CYS 556 2HB CYS 556 -11.015 0.022 3.565
361 HB3 CYS 556 1HB CYS 556 -12.317 0.341 2.436
362 H GLY 557 H GLY 557 -12.688 -3.496 1.660
363 HA2 GLY 557 2HA GLY 557 -15.370 -3.606 1.195
364 HA3 GLY 557 1HA GLY 557 -14.793 -2.330 0.134
365 H LEU 558 H LEU 558 -15.751 -5.266 -0.078
366 HA LEU 558 HA LEU 558 -13.533 -6.421 -1.586
367 HB2 LEU 558 2HB LEU 558 -16.238 -7.608 -1.015
368 HB3 LEU 558 1HB LEU 558 -14.803 -8.456 -1.562
369 HG LEU 558 HG LEU 558 -13.750 -7.696 0.669
370 HD11 LEU 558 1HD1 LEU 558 -16.492 -6.729 0.936
371 HD12 LEU 558 2HD1 LEU 558 -15.038 -6.295 1.841
372 HD13 LEU 558 3HD1 LEU 558 -15.958 -7.732 2.289
373 HD21 LEU 558 3HD2 LEU 558 -16.009 -9.679 0.822
374 HD22 LEU 558 1HD2 LEU 558 -14.516 -9.666 1.761
375 HD23 LEU 558 2HD2 LEU 558 -14.468 -10.012 0.031
376 H ARG 559 H ARG 559 -15.353 -4.131 -2.449
377 HA ARG 559 HA ARG 559 -15.603 -4.933 -5.183
378 HB2 ARG 559 2HB ARG 559 -18.159 -4.132 -4.992
379 HB3 ARG 559 1HB ARG 559 -17.672 -5.818 -4.875
380 HG2 ARG 559 2HG ARG 559 -17.776 -5.756 -2.482
381 HG3 ARG 559 1HG ARG 559 -18.032 -4.009 -2.494
382 HD2 ARG 559 2HD ARG 559 -20.070 -4.797 -4.065
383 HD3 ARG 559 1HD ARG 559 -19.922 -6.209 -3.020
384 HE ARG 559 HE ARG 559 -19.945 -3.776 -1.533
385 HH11 ARG 559 1HH1 ARG 559 -21.998 -6.075 -3.170
386 HH12 ARG 559 2HH1 ARG 559 -23.390 -5.706 -2.208
387 HH21 ARG 559 1HH2 ARG 559 -21.775 -3.289 -0.268
388 HH22 ARG 559 2HH2 ARG 559 -23.265 -4.123 -0.561
389 H GLN 560 H GLN 560 -14.434 -2.797 -3.405
390 HA GLN 560 HA GLN 560 -15.793 -0.364 -4.000
391 HB2 GLN 560 2HB GLN 560 -12.910 -0.785 -3.184
392 HB3 GLN 560 1HB GLN 560 -13.777 0.744 -3.150
393 HG2 GLN 560 2HG GLN 560 -13.872 -1.539 -1.286
394 HG3 GLN 560 1HG GLN 560 -13.998 0.192 -0.970
395 HE21 GLN 560 1HE2 GLN 560 -15.680 -2.732 -1.532
396 HE22 GLN 560 2HE2 GLN 560 -17.284 -2.120 -1.372
Start of MODEL 16
1 H1 ALA 507 1HT ALA 507 -11.773 -10.337 -2.209
2 H2 ALA 507 2HT ALA 507 -11.264 -11.712 -1.319
3 H3 ALA 507 3HT ALA 507 -10.378 -10.246 -1.218
4 HA ALA 507 HA ALA 507 -12.562 -9.267 -0.411
5 HB1 ALA 507 2HB ALA 507 -13.086 -11.920 0.766
6 HB2 ALA 507 3HB ALA 507 -13.515 -11.723 -0.934
7 HB3 ALA 507 1HB ALA 507 -14.207 -10.648 0.280
8 H GLN 508 H GLN 508 -12.362 -8.549 1.679
9 HA GLN 508 HA GLN 508 -11.004 -9.899 3.737
10 HB2 GLN 508 2HB GLN 508 -9.053 -8.152 3.776
11 HB3 GLN 508 1HB GLN 508 -8.924 -9.608 2.801
12 HG2 GLN 508 2HG GLN 508 -9.821 -8.194 0.875
13 HG3 GLN 508 1HG GLN 508 -9.484 -6.803 1.903
14 HE21 GLN 508 1HE2 GLN 508 -7.151 -7.717 3.127
15 HE22 GLN 508 2HE2 GLN 508 -5.899 -7.792 1.941
16 HA PRO 509 HA PRO 509 -13.170 -6.430 5.592
17 HB2 PRO 509 2HB PRO 509 -13.831 -7.585 7.838
18 HB3 PRO 509 1HB PRO 509 -14.415 -8.304 6.326
19 HG2 PRO 509 2HG PRO 509 -12.052 -9.087 7.996
20 HG3 PRO 509 1HG PRO 509 -13.327 -10.132 7.338
21 HD2 PRO 509 2HD PRO 509 -10.861 -9.702 6.147
22 HD3 PRO 509 1HD PRO 509 -12.313 -10.234 5.277
23 H LYS 510 H LYS 510 -11.699 -4.848 6.005
24 HA LYS 510 HA LYS 510 -10.491 -4.801 8.629
25 HB2 LYS 510 2HB LYS 510 -8.904 -5.005 6.130
26 HB3 LYS 510 1HB LYS 510 -8.321 -3.893 7.359
27 HG2 LYS 510 2HG LYS 510 -8.003 -5.609 8.921
28 HG3 LYS 510 1HG LYS 510 -8.991 -6.744 8.000
29 HD2 LYS 510 2HD LYS 510 -6.980 -5.991 6.236
30 HD3 LYS 510 1HD LYS 510 -6.160 -6.156 7.790
31 HE2 LYS 510 2HE LYS 510 -6.474 -8.390 7.866
32 HE3 LYS 510 1HE LYS 510 -8.070 -8.296 7.125
33 HZ1 LYS 510 3HZ LYS 510 -6.052 -9.337 5.855
34 HZ2 LYS 510 1HZ LYS 510 -5.726 -7.723 5.462
35 HZ3 LYS 510 2HZ LYS 510 -7.208 -8.416 5.032
36 H CYS 511 H CYS 511 -10.754 -3.181 5.543
37 HA CYS 511 HA CYS 511 -11.406 -1.110 4.951
38 HB2 CYS 511 2HB CYS 511 -12.505 -1.375 7.596
39 HB3 CYS 511 1HB CYS 511 -12.005 0.285 7.302
40 H ASN 512 H ASN 512 -8.775 -1.604 5.189
41 HA ASN 512 HA ASN 512 -7.791 1.022 6.024
42 HB2 ASN 512 2HB ASN 512 -7.180 -0.874 7.643
43 HB3 ASN 512 1HB ASN 512 -6.115 -1.452 6.369
44 HD21 ASN 512 1HD2 ASN 512 -6.004 1.736 5.866
45 HD22 ASN 512 2HD2 ASN 512 -4.699 2.171 6.901
46 HA PRO 513 HA PRO 513 -6.140 -0.424 1.829
47 HB2 PRO 513 2HB PRO 513 -8.024 0.102 0.046
48 HB3 PRO 513 1HB PRO 513 -8.130 -1.351 1.039
49 HG2 PRO 513 2HG PRO 513 -9.538 1.272 1.393
50 HG3 PRO 513 1HG PRO 513 -10.195 -0.367 1.502
51 HD2 PRO 513 2HD PRO 513 -9.416 1.138 3.673
52 HD3 PRO 513 1HD PRO 513 -9.491 -0.635 3.654
53 H ASN 514 H ASN 514 -8.180 1.874 0.333
54 HA ASN 514 HA ASN 514 -6.009 3.698 0.029
55 HB2 ASN 514 2HB ASN 514 -7.225 4.643 -1.691
56 HB3 ASN 514 1HB ASN 514 -7.877 3.009 -1.666
57 HD21 ASN 514 1HD2 ASN 514 -9.847 2.733 -0.269
58 HD22 ASN 514 2HD2 ASN 514 -11.026 3.994 -0.325
59 H LEU 515 H LEU 515 -7.954 3.307 2.578
60 HA LEU 515 HA LEU 515 -8.426 6.154 3.045
61 HB2 LEU 515 2HB LEU 515 -9.314 3.733 4.618
62 HB3 LEU 515 1HB LEU 515 -9.741 5.393 4.989
63 HG LEU 515 HG LEU 515 -11.635 4.666 3.887
64 HD11 LEU 515 1HD1 LEU 515 -9.858 5.722 1.687
65 HD12 LEU 515 2HD1 LEU 515 -10.850 6.676 2.791
66 HD13 LEU 515 3HD1 LEU 515 -11.618 5.612 1.612
67 HD21 LEU 515 3HD2 LEU 515 -10.822 2.455 3.298
68 HD22 LEU 515 1HD2 LEU 515 -9.860 3.134 1.986
69 HD23 LEU 515 2HD2 LEU 515 -11.622 3.197 1.912
70 H HIS 516 H HIS 516 -5.794 5.306 2.964
71 HA HIS 516 HA HIS 516 -4.686 6.445 5.236
72 HB2 HIS 516 2HB HIS 516 -5.518 4.291 6.286
73 HB3 HIS 516 1HB HIS 516 -4.355 3.441 5.275
74 HD1 HIS 516 1HD HIS 516 -2.765 2.643 7.050
75 HD2 HIS 516 2HD HIS 516 -3.516 6.723 7.286
76 HE1 HIS 516 1HE HIS 516 -1.141 3.528 8.754
77 HE2 HIS 516 2HE HIS 516 -1.636 5.994 8.907
78 H TYR 517 H TYR 517 -4.359 4.151 2.625
79 HA TYR 517 HA TYR 517 -1.727 3.806 2.207
80 HB2 TYR 517 2HB TYR 517 -2.193 3.445 -0.067
81 HB3 TYR 517 1HB TYR 517 -3.729 3.141 0.728
82 HD1 TYR 517 1HD TYR 517 -5.117 5.512 1.024
83 HD2 TYR 517 2HD TYR 517 -2.386 4.544 -2.089
84 HE1 TYR 517 1HE TYR 517 -6.227 7.141 -0.445
85 HE2 TYR 517 2HE TYR 517 -3.482 6.175 -3.565
86 HH TYR 517 HH TYR 517 -4.950 8.419 -3.064
87 H TRP 518 H TRP 518 -3.483 6.787 1.547
88 HA TRP 518 HA TRP 518 -1.370 8.195 0.300
89 HB2 TRP 518 2HB TRP 518 -2.784 10.222 1.042
90 HB3 TRP 518 1HB TRP 518 -3.538 9.064 -0.051
91 HD1 TRP 518 HD TRP 518 -3.267 8.140 3.625
92 HE1 TRP 518 1HE TRP 518 -5.609 8.136 4.669
93 HE3 TRP 518 3HE TRP 518 -5.874 10.189 -0.257
94 HZ2 TRP 518 2HZ TRP 518 -8.233 8.909 3.944
95 HZ3 TRP 518 3HZ TRP 518 -8.300 10.526 -0.004
96 HH2 TRP 518 HH TRP 518 -9.454 9.897 2.054
97 H THR 519 H THR 519 0.420 7.669 1.716
98 HA THR 519 HA THR 519 0.914 9.720 3.636
99 HB THR 519 HB THR 519 -0.412 8.415 5.098
100 HG1 THR 519 1HG THR 519 2.259 7.633 5.607
101 HG21 THR 519 3HG2 THR 519 0.022 6.277 3.577
102 HG22 THR 519 1HG2 THR 519 -0.574 6.185 5.237
103 HG23 THR 519 2HG2 THR 519 1.140 5.929 4.897
104 H THR 520 H THR 520 1.854 6.376 2.927
105 HA THR 520 HA THR 520 4.614 7.309 2.533
106 HB THR 520 HB THR 520 4.345 5.962 4.618
107 HG1 THR 520 1HG THR 520 6.288 5.938 3.274
108 HG21 THR 520 3HG2 THR 520 2.982 4.141 2.831
109 HG22 THR 520 1HG2 THR 520 3.014 4.192 4.593
110 HG23 THR 520 2HG2 THR 520 4.296 3.361 3.712
111 H GLN 521 H GLN 521 1.893 6.007 1.135
112 HA GLN 521 HA GLN 521 3.365 4.445 -0.814
113 HB2 GLN 521 2HB GLN 521 1.446 3.293 -1.251
114 HB3 GLN 521 1HB GLN 521 1.044 3.850 0.367
115 HG2 GLN 521 2HG GLN 521 -0.864 4.290 -0.860
116 HG3 GLN 521 1HG GLN 521 -0.049 5.849 -0.799
117 HE21 GLN 521 1HE2 GLN 521 -0.570 6.816 -2.627
118 HE22 GLN 521 2HE2 GLN 521 -0.374 6.154 -4.210
119 H ASP 522 H ASP 522 1.334 7.246 -0.532
120 HA ASP 522 HA ASP 522 1.596 7.920 -3.338
121 HB2 ASP 522 2HB ASP 522 -0.356 8.411 -1.479
122 HB3 ASP 522 1HB ASP 522 0.477 9.959 -1.551
123 H GLU 523 H GLU 523 3.596 8.092 -0.863
124 HA GLU 523 HA GLU 523 4.980 10.456 -1.893
125 HB2 GLU 523 2HB GLU 523 5.176 9.915 1.025
126 HB3 GLU 523 1HB GLU 523 5.243 11.446 0.162
127 HG2 GLU 523 2HG GLU 523 2.708 10.889 -0.303
128 HG3 GLU 523 1HG GLU 523 2.897 9.929 1.166
129 H GLY 524 H GLY 524 4.980 7.311 -0.509
130 HA2 GLY 524 2HA GLY 524 7.902 7.143 -0.828
131 HA3 GLY 524 1HA GLY 524 6.980 6.179 0.318
132 H ALA 525 H ALA 525 4.808 5.815 -1.707
133 HA ALA 525 HA ALA 525 6.133 3.696 -3.250
134 HB1 ALA 525 1HB ALA 525 3.190 3.919 -2.629
135 HB2 ALA 525 2HB ALA 525 4.340 3.046 -1.618
136 HB3 ALA 525 3HB ALA 525 4.051 2.521 -3.278
137 H ALA 526 H ALA 526 5.812 6.599 -3.867
138 HA ALA 526 HA ALA 526 4.759 6.261 -6.580
139 HB1 ALA 526 1HB ALA 526 2.918 7.271 -5.543
140 HB2 ALA 526 2HB ALA 526 3.764 8.592 -6.349
141 HB3 ALA 526 3HB ALA 526 3.940 8.365 -4.608
142 H ILE 527 H ILE 527 7.270 7.199 -4.653
143 HA ILE 527 HA ILE 527 8.553 8.624 -6.834
144 HB ILE 527 HB ILE 527 9.415 10.124 -4.716
145 HG12 ILE 527 2HG1 ILE 527 7.331 8.937 -3.552
146 HG13 ILE 527 1HG1 ILE 527 7.764 10.606 -3.200
147 HG21 ILE 527 1HG2 ILE 527 7.151 10.762 -6.600
148 HG22 ILE 527 2HG2 ILE 527 8.872 10.945 -6.939
149 HG23 ILE 527 3HG2 ILE 527 8.107 11.940 -5.700
150 HD11 ILE 527 3HD1 ILE 527 5.291 9.879 -3.747
151 HD12 ILE 527 1HD1 ILE 527 5.847 10.105 -5.407
152 HD13 ILE 527 2HD1 ILE 527 5.933 11.441 -4.258
153 H GLY 528 H GLY 528 8.788 7.208 -3.600
154 HA2 GLY 528 2HA GLY 528 11.628 7.087 -3.549
155 HA3 GLY 528 1HA GLY 528 10.536 6.199 -2.498
156 H LEU 529 H LEU 529 10.254 4.054 -2.833
157 HA LEU 529 HA LEU 529 11.061 2.927 -5.400
158 HB2 LEU 529 2HB LEU 529 12.674 2.825 -3.057
159 HB3 LEU 529 1HB LEU 529 12.111 1.203 -3.407
160 HG LEU 529 HG LEU 529 12.978 1.503 -5.750
161 HD11 LEU 529 1HD1 LEU 529 13.325 3.668 -6.270
162 HD12 LEU 529 2HD1 LEU 529 14.918 3.358 -5.580
163 HD13 LEU 529 3HD1 LEU 529 13.669 4.126 -4.602
164 HD21 LEU 529 3HD2 LEU 529 14.204 0.235 -4.063
165 HD22 LEU 529 1HD2 LEU 529 14.977 1.717 -3.501
166 HD23 LEU 529 2HD2 LEU 529 15.307 1.111 -5.124
167 H ALA 530 H ALA 530 8.896 2.443 -5.716
168 HA ALA 530 HA ALA 530 7.845 0.223 -4.075
169 HB1 ALA 530 1HB ALA 530 6.037 1.487 -3.755
170 HB2 ALA 530 2HB ALA 530 5.696 1.312 -5.475
171 HB3 ALA 530 3HB ALA 530 6.612 2.702 -4.896
172 H TRP 531 H TRP 531 8.749 1.384 -7.138
173 HA TRP 531 HA TRP 531 7.357 -0.447 -8.810
174 HB2 TRP 531 2HB TRP 531 9.606 0.376 -10.221
175 HB3 TRP 531 1HB TRP 531 8.044 1.188 -10.212
176 HD1 TRP 531 HD TRP 531 11.478 1.370 -8.479
177 HE1 TRP 531 1HE TRP 531 11.785 3.742 -7.544
178 HE3 TRP 531 3HE TRP 531 6.861 3.276 -9.566
179 HZ2 TRP 531 2HZ TRP 531 10.277 6.123 -7.312
180 HZ3 TRP 531 3HZ TRP 531 6.371 5.607 -8.952
181 HH2 TRP 531 HH TRP 531 8.043 7.001 -7.844
182 H ILE 532 H ILE 532 9.918 -0.841 -6.669
183 HA ILE 532 HA ILE 532 11.183 -2.968 -8.216
184 HB ILE 532 HB ILE 532 12.969 -2.945 -6.714
185 HG12 ILE 532 2HG1 ILE 532 11.661 -3.081 -4.621
186 HG13 ILE 532 1HG1 ILE 532 12.955 -1.894 -4.514
187 HG21 ILE 532 1HG2 ILE 532 11.903 -0.148 -7.018
188 HG22 ILE 532 2HG2 ILE 532 13.061 -0.991 -8.047
189 HG23 ILE 532 3HG2 ILE 532 13.521 -0.510 -6.414
190 HD11 ILE 532 3HD1 ILE 532 10.011 -1.472 -4.647
191 HD12 ILE 532 1HD1 ILE 532 11.112 -0.206 -5.193
192 HD13 ILE 532 2HD1 ILE 532 11.199 -0.795 -3.533
193 HA PRO 533 HA PRO 533 8.792 -5.990 -5.989
194 HB2 PRO 533 2HB PRO 533 9.669 -8.174 -7.230
195 HB3 PRO 533 1HB PRO 533 8.716 -6.959 -8.090
196 HG2 PRO 533 2HG PRO 533 11.667 -7.432 -8.131
197 HG3 PRO 533 1HG PRO 533 10.580 -7.015 -9.467
198 HD2 PRO 533 2HD PRO 533 12.185 -5.217 -8.079
199 HD3 PRO 533 1HD PRO 533 10.771 -4.783 -9.057
200 H TYR 534 H TYR 534 11.560 -5.125 -4.884
201 HA TYR 534 HA TYR 534 11.993 -7.611 -3.370
202 HB2 TYR 534 2HB TYR 534 14.426 -6.882 -3.173
203 HB3 TYR 534 1HB TYR 534 13.906 -7.516 -4.728
204 HD1 TYR 534 1HD TYR 534 14.445 -4.304 -2.915
205 HD2 TYR 534 2HD TYR 534 14.325 -6.305 -6.667
206 HE1 TYR 534 1HE TYR 534 15.314 -2.284 -4.014
207 HE2 TYR 534 2HE TYR 534 15.192 -4.290 -7.777
208 HH TYR 534 HH TYR 534 16.646 -1.806 -6.203
209 H PHE 535 H PHE 535 10.805 -4.633 -3.092
210 HA PHE 535 HA PHE 535 12.046 -3.982 -0.527
211 HB2 PHE 535 2HB PHE 535 10.612 -2.492 -2.589
212 HB3 PHE 535 1HB PHE 535 10.045 -2.117 -0.967
213 HD1 PHE 535 2HD PHE 535 13.294 -2.619 -2.733
214 HD2 PHE 535 1HD PHE 535 11.054 -0.359 0.089
215 HE1 PHE 535 2HE PHE 535 15.216 -1.116 -2.422
216 HE2 PHE 535 1HE PHE 535 12.972 1.150 0.409
217 HZ PHE 535 HZ PHE 535 15.057 0.772 -0.847
218 H GLY 536 H GLY 536 10.122 -6.285 -1.083
219 HA2 GLY 536 2HA GLY 536 7.608 -5.910 -0.049
220 HA3 GLY 536 1HA GLY 536 8.525 -7.391 0.137
221 HA PRO 537 HA PRO 537 8.169 -6.460 4.482
222 HB2 PRO 537 2HB PRO 537 9.562 -8.547 5.454
223 HB3 PRO 537 1HB PRO 537 7.958 -8.743 4.738
224 HG2 PRO 537 2HG PRO 537 10.649 -9.241 3.523
225 HG3 PRO 537 1HG PRO 537 9.178 -10.228 3.426
226 HD2 PRO 537 2HD PRO 537 9.980 -8.530 1.446
227 HD3 PRO 537 1HD PRO 537 8.280 -8.943 1.748
228 H ALA 538 H ALA 538 10.954 -6.196 2.642
229 HA ALA 538 HA ALA 538 12.858 -5.828 4.755
230 HB1 ALA 538 1HB ALA 538 13.812 -6.539 2.749
231 HB2 ALA 538 2HB ALA 538 14.233 -4.829 2.832
232 HB3 ALA 538 3HB ALA 538 12.910 -5.362 1.794
233 H ALA 539 H ALA 539 10.617 -3.804 3.026
234 HA ALA 539 HA ALA 539 11.821 -1.380 4.140
235 HB1 ALA 539 1HB ALA 539 10.009 -1.965 1.885
236 HB2 ALA 539 2HB ALA 539 11.346 -0.819 2.000
237 HB3 ALA 539 3HB ALA 539 9.784 -0.428 2.720
238 H GLU 540 H GLU 540 9.319 -3.593 4.699
239 HA GLU 540 HA GLU 540 7.166 -2.330 5.647
240 HB2 GLU 540 2HB GLU 540 6.722 -4.204 6.980
241 HB3 GLU 540 1HB GLU 540 7.734 -4.799 5.670
242 HG2 GLU 540 2HG GLU 540 9.691 -4.499 7.282
243 HG3 GLU 540 1HG GLU 540 8.466 -4.350 8.541
244 H GLY 541 H GLY 541 7.060 -0.477 6.721
245 HA2 GLY 541 2HA GLY 541 6.916 0.600 8.818
246 HA3 GLY 541 1HA GLY 541 8.255 -0.373 9.389
247 H ILE 542 H ILE 542 9.362 0.580 6.512
248 HA ILE 542 HA ILE 542 10.657 2.928 7.701
249 HB ILE 542 HB ILE 542 11.534 1.502 5.201
250 HG12 ILE 542 2HG1 ILE 542 13.079 0.977 7.631
251 HG13 ILE 542 1HG1 ILE 542 11.441 0.333 7.702
252 HG21 ILE 542 1HG2 ILE 542 13.742 2.501 5.897
253 HG22 ILE 542 2HG2 ILE 542 12.847 3.435 7.096
254 HG23 ILE 542 3HG2 ILE 542 12.511 3.653 5.379
255 HD11 ILE 542 3HD1 ILE 542 11.852 -1.234 6.165
256 HD12 ILE 542 1HD1 ILE 542 13.530 -0.976 6.645
257 HD13 ILE 542 2HD1 ILE 542 12.888 -0.179 5.208
258 H TYR 543 H TYR 543 8.792 1.879 4.916
259 HA TYR 543 HA TYR 543 7.660 4.361 4.430
260 HB2 TYR 543 2HB TYR 543 9.004 4.740 2.149
261 HB3 TYR 543 1HB TYR 543 9.485 5.484 3.667
262 HD1 TYR 543 2HD TYR 543 9.980 1.912 2.816
263 HD2 TYR 543 1HD TYR 543 11.797 5.738 3.216
264 HE1 TYR 543 2HE TYR 543 12.200 0.871 2.626
265 HE2 TYR 543 1HE TYR 543 14.021 4.708 3.026
266 HH TYR 543 HH TYR 543 14.871 2.364 1.854
267 H ILE 544 H ILE 544 8.907 2.960 1.506
268 HA ILE 544 HA ILE 544 6.462 2.483 0.352
269 HB ILE 544 HB ILE 544 8.887 0.794 -0.239
270 HG12 ILE 544 2HG1 ILE 544 8.781 3.020 -1.984
271 HG13 ILE 544 1HG1 ILE 544 8.633 3.656 -0.348
272 HG21 ILE 544 1HG2 ILE 544 6.306 1.191 -1.472
273 HG22 ILE 544 2HG2 ILE 544 7.547 -0.014 -1.816
274 HG23 ILE 544 3HG2 ILE 544 7.620 1.570 -2.585
275 HD11 ILE 544 3HD1 ILE 544 10.669 1.967 0.026
276 HD12 ILE 544 1HD1 ILE 544 10.878 3.642 -0.483
277 HD13 ILE 544 2HD1 ILE 544 10.913 2.347 -1.678
278 H GLU 545 H GLU 545 8.573 -0.191 1.352
279 HA GLU 545 HA GLU 545 8.153 -2.193 2.343
280 HB2 GLU 545 2HB GLU 545 5.346 -1.373 2.998
281 HB3 GLU 545 1HB GLU 545 6.446 -2.404 3.902
282 HG2 GLU 545 2HG GLU 545 7.501 -0.648 4.905
283 HG3 GLU 545 1HG GLU 545 7.191 0.451 3.568
284 H GLY 546 H GLY 546 6.599 -4.114 2.232
285 HA2 GLY 546 2HA GLY 546 6.047 -4.633 -0.507
286 HA3 GLY 546 1HA GLY 546 5.655 -5.686 0.844
287 H LEU 547 H LEU 547 4.596 -2.694 -0.739
288 HA LEU 547 HA LEU 547 1.825 -3.580 -0.462
289 HB2 LEU 547 2HB LEU 547 1.150 -1.334 0.341
290 HB3 LEU 547 1HB LEU 547 2.150 -2.211 1.488
291 HG LEU 547 HG LEU 547 4.115 -0.880 0.516
292 HD11 LEU 547 1HD1 LEU 547 3.323 0.111 -1.417
293 HD12 LEU 547 2HD1 LEU 547 3.244 1.433 -0.250
294 HD13 LEU 547 3HD1 LEU 547 1.779 0.549 -0.686
295 HD21 LEU 547 3HD2 LEU 547 3.764 -0.183 2.621
296 HD22 LEU 547 1HD2 LEU 547 2.016 -0.068 2.403
297 HD23 LEU 547 2HD2 LEU 547 3.064 1.235 1.838
298 H MET 548 H MET 548 3.491 -3.500 -2.757
299 HA MET 548 HA MET 548 3.127 -1.141 -4.272
300 HB2 MET 548 2HB MET 548 3.416 -3.858 -5.492
301 HB3 MET 548 1HB MET 548 3.991 -2.313 -6.095
302 HG2 MET 548 2HG MET 548 5.961 -2.663 -5.161
303 HG3 MET 548 1HG MET 548 5.202 -2.760 -3.574
304 HE1 MET 548 3HE MET 548 5.840 -6.000 -2.379
305 HE2 MET 548 1HE MET 548 4.150 -5.709 -2.791
306 HE3 MET 548 2HE MET 548 5.157 -4.381 -2.216
307 H HIS 549 H HIS 549 0.654 -1.974 -3.086
308 HA HIS 549 HA HIS 549 -0.942 -2.566 -5.485
309 HB2 HIS 549 2HB HIS 549 -2.070 -2.760 -2.715
310 HB3 HIS 549 1HB HIS 549 -2.535 -3.634 -4.171
311 HD1 HIS 549 1HD HIS 549 -1.074 -4.287 -1.064
312 HD2 HIS 549 2HD HIS 549 -0.095 -5.386 -4.950
313 HE1 HIS 549 1HE HIS 549 0.389 -6.320 -0.841
314 HE2 HIS 549 2HE HIS 549 0.879 -7.028 -3.207
315 H ASN 550 H ASN 550 -0.051 -0.240 -3.211
316 HA ASN 550 HA ASN 550 -0.626 1.929 -2.885
317 HB2 ASN 550 2HB ASN 550 -2.420 1.615 -5.297
318 HB3 ASN 550 1HB ASN 550 -1.800 3.122 -4.627
319 HD21 ASN 550 1HD2 ASN 550 0.834 2.193 -4.092
320 HD22 ASN 550 2HD2 ASN 550 1.633 1.976 -5.606
321 H GLN 551 H GLN 551 -3.285 -0.328 -3.322
322 HA GLN 551 HA GLN 551 -5.103 -0.687 -2.024
323 HB2 GLN 551 2HB GLN 551 -4.466 1.803 -0.465
324 HB3 GLN 551 1HB GLN 551 -5.452 0.432 0.018
325 HG2 GLN 551 2HG GLN 551 -3.411 -0.984 -0.089
326 HG3 GLN 551 1HG GLN 551 -2.476 0.490 -0.331
327 HE21 GLN 551 1HE2 GLN 551 -3.575 -1.660 1.917
328 HE22 GLN 551 2HE2 GLN 551 -3.421 -0.689 3.338
329 H ASP 552 H ASP 552 -7.012 -0.404 -2.759
330 HA ASP 552 HA ASP 552 -8.123 2.233 -3.228
331 HB2 ASP 552 2HB ASP 552 -8.802 1.605 -5.575
332 HB3 ASP 552 1HB ASP 552 -7.084 1.923 -5.352
333 H GLY 553 H GLY 553 -9.095 0.824 -1.289
334 HA2 GLY 553 2HA GLY 553 -11.114 0.052 -0.490
335 HA3 GLY 553 1HA GLY 553 -11.750 0.168 -2.124
336 H LEU 554 H LEU 554 -9.140 -1.763 -0.659
337 HA LEU 554 HA LEU 554 -10.288 -4.139 -1.941
338 HB2 LEU 554 2HB LEU 554 -7.607 -4.033 -0.602
339 HB3 LEU 554 1HB LEU 554 -8.160 -5.119 -1.863
340 HG LEU 554 HG LEU 554 -7.393 -2.219 -2.151
341 HD11 LEU 554 1HD1 LEU 554 -5.670 -3.026 -3.580
342 HD12 LEU 554 2HD1 LEU 554 -6.323 -4.664 -3.543
343 HD13 LEU 554 3HD1 LEU 554 -5.605 -3.967 -2.090
344 HD21 LEU 554 3HD2 LEU 554 -7.929 -2.544 -4.567
345 HD22 LEU 554 1HD2 LEU 554 -9.339 -2.515 -3.509
346 HD23 LEU 554 2HD2 LEU 554 -8.736 -4.050 -4.131
347 H ILE 555 H ILE 555 -9.449 -2.768 1.152
348 HA ILE 555 HA ILE 555 -10.408 -5.209 2.482
349 HB ILE 555 HB ILE 555 -9.317 -3.705 4.504
350 HG12 ILE 555 2HG1 ILE 555 -8.398 -2.163 2.704
351 HG13 ILE 555 1HG1 ILE 555 -7.219 -2.816 3.834
352 HG21 ILE 555 1HG2 ILE 555 -7.472 -5.330 4.432
353 HG22 ILE 555 2HG2 ILE 555 -8.000 -5.829 2.825
354 HG23 ILE 555 3HG2 ILE 555 -9.050 -6.086 4.218
355 HD11 ILE 555 3HD1 ILE 555 -6.127 -3.944 2.233
356 HD12 ILE 555 1HD1 ILE 555 -6.916 -2.796 1.153
357 HD13 ILE 555 2HD1 ILE 555 -7.609 -4.400 1.393
358 H CYS 556 H CYS 556 -11.060 -1.888 1.918
359 HA CYS 556 HA CYS 556 -13.062 -1.794 4.053
360 HB2 CYS 556 2HB CYS 556 -11.332 0.123 3.391
361 HB3 CYS 556 1HB CYS 556 -12.583 0.520 2.227
362 H GLY 557 H GLY 557 -13.307 -3.436 1.652
363 HA2 GLY 557 2HA GLY 557 -15.926 -3.325 1.064
364 HA3 GLY 557 1HA GLY 557 -15.241 -2.130 -0.026
365 H LEU 558 H LEU 558 -16.435 -4.942 -0.235
366 HA LEU 558 HA LEU 558 -14.269 -6.353 -1.594
367 HB2 LEU 558 2HB LEU 558 -17.110 -7.247 -1.154
368 HB3 LEU 558 1HB LEU 558 -15.744 -8.249 -1.609
369 HG LEU 558 HG LEU 558 -14.731 -7.562 0.658
370 HD11 LEU 558 1HD1 LEU 558 -15.907 -5.989 1.725
371 HD12 LEU 558 2HD1 LEU 558 -16.995 -7.304 2.169
372 HD13 LEU 558 3HD1 LEU 558 -17.360 -6.293 0.768
373 HD21 LEU 558 3HD2 LEU 558 -15.956 -9.762 -0.107
374 HD22 LEU 558 1HD2 LEU 558 -17.178 -9.213 1.041
375 HD23 LEU 558 2HD2 LEU 558 -15.524 -9.499 1.584
376 H ARG 559 H ARG 559 -15.869 -3.913 -2.582
377 HA ARG 559 HA ARG 559 -16.017 -4.758 -5.321
378 HB2 ARG 559 2HB ARG 559 -18.479 -3.707 -5.313
379 HB3 ARG 559 1HB ARG 559 -18.179 -5.426 -5.097
380 HG2 ARG 559 2HG ARG 559 -18.229 -5.054 -2.624
381 HG3 ARG 559 1HG ARG 559 -18.727 -3.389 -2.948
382 HD2 ARG 559 2HD ARG 559 -20.380 -5.130 -4.469
383 HD3 ARG 559 1HD ARG 559 -20.329 -5.724 -2.812
384 HE ARG 559 HE ARG 559 -21.723 -3.456 -3.732
385 HH11 ARG 559 1HH1 ARG 559 -19.762 -4.518 -1.047
386 HH12 ARG 559 2HH1 ARG 559 -20.505 -3.438 0.084
387 HH21 ARG 559 1HH2 ARG 559 -22.700 -2.035 -2.246
388 HH22 ARG 559 2HH2 ARG 559 -22.174 -2.028 -0.596
389 H GLN 560 H GLN 560 -14.848 -2.650 -3.408
390 HA GLN 560 HA GLN 560 -15.881 -0.133 -4.164
391 HB2 GLN 560 2HB GLN 560 -13.088 -0.820 -3.227
392 HB3 GLN 560 1HB GLN 560 -13.787 0.791 -3.273
393 HG2 GLN 560 2HG GLN 560 -14.175 -1.394 -1.340
394 HG3 GLN 560 1HG GLN 560 -14.167 0.354 -1.095
395 HE21 GLN 560 1HE2 GLN 560 -16.071 -2.439 -1.757
396 HE22 GLN 560 2HE2 GLN 560 -17.621 -1.693 -1.642
Start of MODEL 17
1 H1 ALA 507 1HT ALA 507 -10.586 -8.097 -0.645
2 H2 ALA 507 2HT ALA 507 -12.290 -8.035 -0.442
3 H3 ALA 507 3HT ALA 507 -11.620 -8.540 -1.940
4 HA ALA 507 HA ALA 507 -12.514 -10.282 -0.395
5 HB1 ALA 507 2HB ALA 507 -10.690 -10.337 -2.371
6 HB2 ALA 507 3HB ALA 507 -11.219 -11.770 -1.490
7 HB3 ALA 507 1HB ALA 507 -9.718 -10.960 -1.037
8 H GLN 508 H GLN 508 -11.825 -8.357 1.528
9 HA GLN 508 HA GLN 508 -11.012 -9.974 3.665
10 HB2 GLN 508 2HB GLN 508 -8.851 -8.634 4.153
11 HB3 GLN 508 1HB GLN 508 -8.784 -9.957 2.996
12 HG2 GLN 508 2HG GLN 508 -8.982 -8.340 1.159
13 HG3 GLN 508 1HG GLN 508 -8.995 -7.028 2.335
14 HE21 GLN 508 1HE2 GLN 508 -7.132 -6.843 0.491
15 HE22 GLN 508 2HE2 GLN 508 -5.570 -7.259 1.099
16 HA PRO 509 HA PRO 509 -12.934 -6.346 5.454
17 HB2 PRO 509 2HB PRO 509 -13.661 -7.379 7.751
18 HB3 PRO 509 1HB PRO 509 -14.300 -8.095 6.259
19 HG2 PRO 509 2HG PRO 509 -11.965 -8.984 7.921
20 HG3 PRO 509 1HG PRO 509 -13.337 -9.957 7.348
21 HD2 PRO 509 2HD PRO 509 -10.917 -9.837 6.061
22 HD3 PRO 509 1HD PRO 509 -12.452 -10.156 5.226
23 H LYS 510 H LYS 510 -11.593 -4.747 5.968
24 HA LYS 510 HA LYS 510 -10.249 -4.760 8.525
25 HB2 LYS 510 2HB LYS 510 -8.784 -4.857 5.952
26 HB3 LYS 510 1HB LYS 510 -8.171 -3.748 7.172
27 HG2 LYS 510 2HG LYS 510 -7.687 -5.464 8.666
28 HG3 LYS 510 1HG LYS 510 -8.746 -6.607 7.840
29 HD2 LYS 510 2HD LYS 510 -6.927 -5.904 5.891
30 HD3 LYS 510 1HD LYS 510 -5.946 -5.966 7.355
31 HE2 LYS 510 2HE LYS 510 -7.715 -8.210 7.313
32 HE3 LYS 510 1HE LYS 510 -6.866 -8.117 5.771
33 HZ1 LYS 510 3HZ LYS 510 -4.771 -7.965 7.042
34 HZ2 LYS 510 1HZ LYS 510 -5.589 -9.425 7.289
35 HZ3 LYS 510 2HZ LYS 510 -5.638 -8.218 8.472
36 H CYS 511 H CYS 511 -10.523 -2.995 5.514
37 HA CYS 511 HA CYS 511 -11.272 -0.923 5.021
38 HB2 CYS 511 2HB CYS 511 -12.303 -1.276 7.698
39 HB3 CYS 511 1HB CYS 511 -11.883 0.403 7.385
40 H ASN 512 H ASN 512 -8.643 -1.379 5.185
41 HA ASN 512 HA ASN 512 -7.687 1.255 6.040
42 HB2 ASN 512 2HB ASN 512 -6.979 -0.825 7.514
43 HB3 ASN 512 1HB ASN 512 -5.803 -1.052 6.223
44 HD21 ASN 512 1HD2 ASN 512 -5.530 1.793 5.672
45 HD22 ASN 512 2HD2 ASN 512 -4.615 2.452 6.974
46 HA PRO 513 HA PRO 513 -6.166 -0.180 1.767
47 HB2 PRO 513 2HB PRO 513 -8.119 0.402 0.053
48 HB3 PRO 513 1HB PRO 513 -8.137 -1.106 0.968
49 HG2 PRO 513 2HG PRO 513 -9.630 1.438 1.505
50 HG3 PRO 513 1HG PRO 513 -10.219 -0.232 1.553
51 HD2 PRO 513 2HD PRO 513 -9.455 1.177 3.776
52 HD3 PRO 513 1HD PRO 513 -9.398 -0.591 3.650
53 H ASN 514 H ASN 514 -8.313 2.166 0.458
54 HA ASN 514 HA ASN 514 -6.135 3.991 0.097
55 HB2 ASN 514 2HB ASN 514 -7.549 5.137 -1.439
56 HB3 ASN 514 1HB ASN 514 -7.825 3.414 -1.672
57 HD21 ASN 514 1HD2 ASN 514 -9.868 2.997 -2.051
58 HD22 ASN 514 2HD2 ASN 514 -11.227 3.773 -1.321
59 H LEU 515 H LEU 515 -7.903 3.539 2.720
60 HA LEU 515 HA LEU 515 -8.423 6.372 3.246
61 HB2 LEU 515 2HB LEU 515 -9.227 3.925 4.824
62 HB3 LEU 515 1HB LEU 515 -9.683 5.577 5.200
63 HG LEU 515 HG LEU 515 -11.569 4.643 4.144
64 HD11 LEU 515 1HD1 LEU 515 -11.062 6.853 3.308
65 HD12 LEU 515 2HD1 LEU 515 -11.732 5.867 2.007
66 HD13 LEU 515 3HD1 LEU 515 -9.995 6.176 2.075
67 HD21 LEU 515 3HD2 LEU 515 -11.513 2.954 2.677
68 HD22 LEU 515 1HD2 LEU 515 -9.774 2.899 2.969
69 HD23 LEU 515 2HD2 LEU 515 -10.410 3.819 1.607
70 H HIS 516 H HIS 516 -5.803 5.619 3.053
71 HA HIS 516 HA HIS 516 -4.612 6.714 5.286
72 HB2 HIS 516 2HB HIS 516 -5.438 4.180 5.962
73 HB3 HIS 516 1HB HIS 516 -3.775 3.901 5.458
74 HD1 HIS 516 1HD HIS 516 -4.962 3.758 8.439
75 HD2 HIS 516 2HD HIS 516 -2.677 6.817 6.801
76 HE1 HIS 516 1HE HIS 516 -3.888 4.915 10.395
77 HE2 HIS 516 2HE HIS 516 -2.578 6.815 9.385
78 H TYR 517 H TYR 517 -4.386 4.418 2.670
79 HA TYR 517 HA TYR 517 -1.785 4.067 2.126
80 HB2 TYR 517 2HB TYR 517 -2.355 3.741 -0.131
81 HB3 TYR 517 1HB TYR 517 -3.853 3.436 0.733
82 HD1 TYR 517 2HD TYR 517 -5.241 5.782 1.107
83 HD2 TYR 517 1HD TYR 517 -2.603 4.898 -2.107
84 HE1 TYR 517 2HE TYR 517 -6.407 7.436 -0.290
85 HE2 TYR 517 1HE TYR 517 -3.754 6.552 -3.515
86 HH TYR 517 HH TYR 517 -5.530 8.905 -2.514
87 H TRP 518 H TRP 518 -3.541 7.070 1.534
88 HA TRP 518 HA TRP 518 -1.451 8.463 0.233
89 HB2 TRP 518 2HB TRP 518 -2.821 10.501 1.023
90 HB3 TRP 518 1HB TRP 518 -3.622 9.354 -0.049
91 HD1 TRP 518 HD TRP 518 -3.246 8.408 3.611
92 HE1 TRP 518 1HE TRP 518 -5.553 8.426 4.728
93 HE3 TRP 518 3HE TRP 518 -5.946 10.515 -0.173
94 HZ2 TRP 518 2HZ TRP 518 -8.189 9.238 4.093
95 HZ3 TRP 518 3HZ TRP 518 -8.359 10.881 0.158
96 HH2 TRP 518 HH TRP 518 -9.456 10.253 2.248
97 H THR 519 H THR 519 0.369 7.902 1.597
98 HA THR 519 HA THR 519 0.944 9.936 3.514
99 HB THR 519 HB THR 519 -0.345 8.629 5.007
100 HG1 THR 519 1HG THR 519 1.620 9.228 5.925
101 HG21 THR 519 3HG2 THR 519 1.172 6.127 4.710
102 HG22 THR 519 1HG2 THR 519 0.000 6.506 3.447
103 HG23 THR 519 2HG2 THR 519 -0.521 6.395 5.130
104 H THR 520 H THR 520 1.827 6.591 2.755
105 HA THR 520 HA THR 520 4.584 7.494 2.289
106 HB THR 520 HB THR 520 4.317 6.114 4.368
107 HG1 THR 520 1HG THR 520 6.314 5.994 3.573
108 HG21 THR 520 3HG2 THR 520 2.562 4.586 3.566
109 HG22 THR 520 1HG2 THR 520 3.971 3.744 4.212
110 HG23 THR 520 2HG2 THR 520 3.733 3.858 2.467
111 H GLN 521 H GLN 521 1.813 6.273 0.939
112 HA GLN 521 HA GLN 521 3.211 4.712 -1.065
113 HB2 GLN 521 2HB GLN 521 1.251 3.609 -1.500
114 HB3 GLN 521 1HB GLN 521 0.933 4.091 0.158
115 HG2 GLN 521 2HG GLN 521 -1.022 4.646 -0.921
116 HG3 GLN 521 1HG GLN 521 -0.154 6.178 -0.890
117 HE21 GLN 521 1HE2 GLN 521 -0.674 7.203 -2.677
118 HE22 GLN 521 2HE2 GLN 521 -0.621 6.552 -4.275
119 H ASP 522 H ASP 522 1.265 7.557 -0.668
120 HA ASP 522 HA ASP 522 1.490 8.283 -3.474
121 HB2 ASP 522 2HB ASP 522 -0.415 8.791 -1.511
122 HB3 ASP 522 1HB ASP 522 0.394 10.338 -1.732
123 H GLU 523 H GLU 523 3.499 8.375 -1.007
124 HA GLU 523 HA GLU 523 4.897 10.757 -1.973
125 HB2 GLU 523 2HB GLU 523 5.049 10.130 0.937
126 HB3 GLU 523 1HB GLU 523 5.192 11.681 0.116
127 HG2 GLU 523 2HG GLU 523 2.654 11.229 -0.423
128 HG3 GLU 523 1HG GLU 523 2.770 10.223 1.024
129 H GLY 524 H GLY 524 4.870 7.581 -0.675
130 HA2 GLY 524 2HA GLY 524 7.793 7.397 -0.989
131 HA3 GLY 524 1HA GLY 524 6.859 6.409 0.127
132 H ALA 525 H ALA 525 4.681 6.129 -1.905
133 HA ALA 525 HA ALA 525 5.979 4.031 -3.493
134 HB1 ALA 525 1HB ALA 525 4.127 3.400 -1.906
135 HB2 ALA 525 2HB ALA 525 3.892 2.890 -3.578
136 HB3 ALA 525 3HB ALA 525 3.027 4.295 -2.952
137 H ALA 526 H ALA 526 5.720 6.959 -4.022
138 HA ALA 526 HA ALA 526 4.737 6.722 -6.773
139 HB1 ALA 526 1HB ALA 526 2.919 7.804 -5.783
140 HB2 ALA 526 2HB ALA 526 3.870 9.111 -6.490
141 HB3 ALA 526 3HB ALA 526 3.957 8.794 -4.756
142 H ILE 527 H ILE 527 7.232 7.492 -4.750
143 HA ILE 527 HA ILE 527 8.670 8.865 -6.854
144 HB ILE 527 HB ILE 527 9.493 10.352 -4.727
145 HG12 ILE 527 2HG1 ILE 527 7.314 9.238 -3.632
146 HG13 ILE 527 1HG1 ILE 527 7.840 10.869 -3.238
147 HG21 ILE 527 1HG2 ILE 527 9.096 11.257 -6.900
148 HG22 ILE 527 2HG2 ILE 527 8.147 12.188 -5.742
149 HG23 ILE 527 3HG2 ILE 527 7.361 10.979 -6.757
150 HD11 ILE 527 3HD1 ILE 527 5.346 10.363 -3.809
151 HD12 ILE 527 1HD1 ILE 527 5.918 10.467 -5.476
152 HD13 ILE 527 2HD1 ILE 527 6.114 11.842 -4.388
153 H GLY 528 H GLY 528 8.690 7.501 -3.584
154 HA2 GLY 528 2HA GLY 528 11.508 7.261 -3.370
155 HA3 GLY 528 1HA GLY 528 10.323 6.413 -2.390
156 H LEU 529 H LEU 529 10.671 4.297 -2.450
157 HA LEU 529 HA LEU 529 11.279 3.084 -5.060
158 HB2 LEU 529 2HB LEU 529 13.028 3.248 -2.908
159 HB3 LEU 529 1HB LEU 529 12.409 1.610 -2.831
160 HG LEU 529 HG LEU 529 13.112 1.242 -5.164
161 HD11 LEU 529 1HD1 LEU 529 14.813 3.631 -5.234
162 HD12 LEU 529 2HD1 LEU 529 13.085 3.944 -5.403
163 HD13 LEU 529 3HD1 LEU 529 13.897 2.846 -6.521
164 HD21 LEU 529 3HD2 LEU 529 15.676 1.736 -4.590
165 HD22 LEU 529 1HD2 LEU 529 14.765 0.418 -3.854
166 HD23 LEU 529 2HD2 LEU 529 14.982 1.935 -2.981
167 H ALA 530 H ALA 530 9.077 2.554 -5.261
168 HA ALA 530 HA ALA 530 8.234 0.283 -3.575
169 HB1 ALA 530 1HB ALA 530 5.976 0.970 -3.717
170 HB2 ALA 530 2HB ALA 530 6.354 2.201 -4.922
171 HB3 ALA 530 3HB ALA 530 6.906 2.395 -3.259
172 H TRP 531 H TRP 531 9.392 1.088 -6.452
173 HA TRP 531 HA TRP 531 7.725 -0.716 -8.054
174 HB2 TRP 531 2HB TRP 531 9.597 0.336 -9.774
175 HB3 TRP 531 1HB TRP 531 8.000 1.023 -9.499
176 HD1 TRP 531 HD TRP 531 11.563 1.386 -8.024
177 HE1 TRP 531 1HE TRP 531 11.865 3.820 -7.278
178 HE3 TRP 531 3HE TRP 531 6.900 3.155 -9.138
179 HZ2 TRP 531 2HZ TRP 531 10.332 6.203 -7.191
180 HZ3 TRP 531 3HZ TRP 531 6.396 5.521 -8.692
181 HH2 TRP 531 HH TRP 531 8.074 7.014 -7.736
182 H ILE 532 H ILE 532 9.753 -1.401 -5.936
183 HA ILE 532 HA ILE 532 11.330 -3.242 -7.585
184 HB ILE 532 HB ILE 532 13.345 -2.850 -6.432
185 HG12 ILE 532 2HG1 ILE 532 12.513 -2.687 -4.146
186 HG13 ILE 532 1HG1 ILE 532 13.547 -1.310 -4.507
187 HG21 ILE 532 1HG2 ILE 532 12.558 -1.079 -8.083
188 HG22 ILE 532 2HG2 ILE 532 13.874 -0.635 -6.997
189 HG23 ILE 532 3HG2 ILE 532 12.237 -0.065 -6.674
190 HD11 ILE 532 3HD1 ILE 532 11.166 -0.264 -5.149
191 HD12 ILE 532 1HD1 ILE 532 11.872 -0.174 -3.536
192 HD13 ILE 532 2HD1 ILE 532 10.671 -1.410 -3.904
193 HA PRO 533 HA PRO 533 9.623 -5.934 -4.412
194 HB2 PRO 533 2HB PRO 533 10.179 -8.234 -5.924
195 HB3 PRO 533 1HB PRO 533 8.668 -7.329 -5.914
196 HG2 PRO 533 2HG PRO 533 10.484 -7.577 -8.062
197 HG3 PRO 533 1HG PRO 533 9.079 -6.506 -7.974
198 HD2 PRO 533 2HD PRO 533 11.951 -5.899 -7.550
199 HD3 PRO 533 1HD PRO 533 10.639 -4.846 -8.119
200 H TYR 534 H TYR 534 12.681 -5.250 -4.973
201 HA TYR 534 HA TYR 534 14.232 -7.467 -4.367
202 HB2 TYR 534 2HB TYR 534 15.302 -5.492 -5.139
203 HB3 TYR 534 1HB TYR 534 14.625 -4.526 -3.834
204 HD1 TYR 534 1HD TYR 534 16.161 -7.849 -3.340
205 HD2 TYR 534 2HD TYR 534 16.685 -3.637 -3.040
206 HE1 TYR 534 1HE TYR 534 18.204 -8.202 -2.018
207 HE2 TYR 534 2HE TYR 534 18.727 -3.978 -1.718
208 HH TYR 534 HH TYR 534 20.351 -6.847 -1.546
209 H PHE 535 H PHE 535 12.556 -5.233 -2.185
210 HA PHE 535 HA PHE 535 13.325 -6.993 0.052
211 HB2 PHE 535 2HB PHE 535 12.511 -4.708 1.295
212 HB3 PHE 535 1HB PHE 535 14.184 -5.091 0.904
213 HD1 PHE 535 1HD PHE 535 15.048 -4.284 -1.387
214 HD2 PHE 535 2HD PHE 535 11.551 -2.760 0.497
215 HE1 PHE 535 1HE PHE 535 15.198 -2.249 -2.766
216 HE2 PHE 535 2HE PHE 535 11.694 -0.723 -0.876
217 HZ PHE 535 HZ PHE 535 13.520 -0.466 -2.507
218 H GLY 536 H GLY 536 10.688 -5.092 -1.351
219 HA2 GLY 536 2HA GLY 536 8.412 -5.182 -1.024
220 HA3 GLY 536 1HA GLY 536 8.674 -6.907 -0.823
221 HA PRO 537 HA PRO 537 7.081 -6.212 3.287
222 HB2 PRO 537 2HB PRO 537 7.526 -8.675 4.310
223 HB3 PRO 537 1HB PRO 537 6.237 -8.349 3.146
224 HG2 PRO 537 2HG PRO 537 8.955 -9.518 2.684
225 HG3 PRO 537 1HG PRO 537 7.391 -10.032 2.026
226 HD2 PRO 537 2HD PRO 537 9.158 -8.529 0.617
227 HD3 PRO 537 1HD PRO 537 7.402 -8.409 0.395
228 H ALA 538 H ALA 538 10.294 -6.632 2.471
229 HA ALA 538 HA ALA 538 11.376 -6.865 5.131
230 HB1 ALA 538 1HB ALA 538 12.506 -6.658 2.385
231 HB2 ALA 538 2HB ALA 538 12.824 -7.842 3.653
232 HB3 ALA 538 3HB ALA 538 13.532 -6.230 3.754
233 H ALA 539 H ALA 539 10.444 -4.340 2.964
234 HA ALA 539 HA ALA 539 11.975 -2.271 4.264
235 HB1 ALA 539 1HB ALA 539 10.190 -0.883 2.852
236 HB2 ALA 539 2HB ALA 539 10.053 -2.431 2.017
237 HB3 ALA 539 3HB ALA 539 11.616 -1.615 2.112
238 H GLU 540 H GLU 540 9.178 -3.974 4.864
239 HA GLU 540 HA GLU 540 7.236 -2.421 5.798
240 HB2 GLU 540 2HB GLU 540 6.570 -4.218 7.155
241 HB3 GLU 540 1HB GLU 540 7.479 -4.933 5.824
242 HG2 GLU 540 2HG GLU 540 9.479 -4.938 7.365
243 HG3 GLU 540 1HG GLU 540 8.357 -4.552 8.671
244 H GLY 541 H GLY 541 7.429 -0.531 6.821
245 HA2 GLY 541 2HA GLY 541 7.409 0.380 9.083
246 HA3 GLY 541 1HA GLY 541 8.877 -0.529 9.389
247 H ILE 542 H ILE 542 9.453 0.535 6.406
248 HA ILE 542 HA ILE 542 10.792 2.935 7.432
249 HB ILE 542 HB ILE 542 11.361 1.703 4.757
250 HG12 ILE 542 2HG1 ILE 542 13.143 0.963 6.986
251 HG13 ILE 542 1HG1 ILE 542 11.550 0.214 7.033
252 HG21 ILE 542 1HG2 ILE 542 12.575 3.605 4.772
253 HG22 ILE 542 2HG2 ILE 542 13.703 2.623 5.707
254 HG23 ILE 542 3HG2 ILE 542 12.587 3.712 6.533
255 HD11 ILE 542 3HD1 ILE 542 13.731 -0.099 5.044
256 HD12 ILE 542 1HD1 ILE 542 12.055 -0.317 4.534
257 HD13 ILE 542 2HD1 ILE 542 12.723 -1.318 5.825
258 H TYR 543 H TYR 543 8.516 1.854 4.993
259 HA TYR 543 HA TYR 543 7.313 4.350 4.712
260 HB2 TYR 543 2HB TYR 543 8.193 4.634 2.194
261 HB3 TYR 543 1HB TYR 543 8.960 5.420 3.567
262 HD1 TYR 543 1HD TYR 543 9.231 1.823 2.693
263 HD2 TYR 543 2HD TYR 543 11.165 5.613 2.751
264 HE1 TYR 543 1HE TYR 543 11.361 0.738 2.121
265 HE2 TYR 543 2HE TYR 543 13.301 4.538 2.179
266 HH TYR 543 HH TYR 543 13.499 1.268 1.158
267 H ILE 544 H ILE 544 7.925 2.868 1.630
268 HA ILE 544 HA ILE 544 5.198 2.265 1.254
269 HB ILE 544 HB ILE 544 7.353 1.002 -0.403
270 HG12 ILE 544 2HG1 ILE 544 6.700 3.434 -1.617
271 HG13 ILE 544 1HG1 ILE 544 6.967 3.843 0.074
272 HG21 ILE 544 1HG2 ILE 544 5.446 1.968 -2.073
273 HG22 ILE 544 2HG2 ILE 544 4.493 1.614 -0.638
274 HG23 ILE 544 3HG2 ILE 544 5.451 0.340 -1.398
275 HD11 ILE 544 3HD1 ILE 544 9.133 3.887 -0.368
276 HD12 ILE 544 1HD1 ILE 544 8.869 3.232 -1.984
277 HD13 ILE 544 2HD1 ILE 544 9.065 2.141 -0.612
278 H GLU 545 H GLU 545 8.008 0.170 1.799
279 HA GLU 545 HA GLU 545 8.160 -1.889 2.764
280 HB2 GLU 545 2HB GLU 545 5.178 -1.875 3.202
281 HB3 GLU 545 1HB GLU 545 6.416 -2.731 4.116
282 HG2 GLU 545 2HG GLU 545 7.237 -0.632 5.017
283 HG3 GLU 545 1HG GLU 545 6.061 0.261 4.057
284 H GLY 546 H GLY 546 5.511 -3.635 2.453
285 HA2 GLY 546 2HA GLY 546 6.287 -4.619 -0.198
286 HA3 GLY 546 1HA GLY 546 5.411 -5.533 1.022
287 H LEU 547 H LEU 547 4.508 -2.279 0.377
288 HA LEU 547 HA LEU 547 1.987 -3.224 -0.761
289 HB2 LEU 547 2HB LEU 547 1.013 -1.248 -0.015
290 HB3 LEU 547 1HB LEU 547 2.191 -1.597 1.243
291 HG LEU 547 HG LEU 547 3.736 -0.097 -0.215
292 HD11 LEU 547 1HD1 LEU 547 1.468 0.063 -1.747
293 HD12 LEU 547 2HD1 LEU 547 2.833 1.177 -1.805
294 HD13 LEU 547 3HD1 LEU 547 1.421 1.563 -0.819
295 HD21 LEU 547 3HD2 LEU 547 3.503 1.436 1.422
296 HD22 LEU 547 1HD2 LEU 547 2.414 0.239 2.121
297 HD23 LEU 547 2HD2 LEU 547 1.762 1.582 1.180
298 H MET 548 H MET 548 1.647 -3.074 -2.818
299 HA MET 548 HA MET 548 2.961 -0.999 -4.407
300 HB2 MET 548 2HB MET 548 2.799 -3.891 -5.254
301 HB3 MET 548 1HB MET 548 3.519 -2.571 -6.167
302 HG2 MET 548 2HG MET 548 5.458 -2.878 -5.158
303 HG3 MET 548 1HG MET 548 4.711 -2.661 -3.580
304 HE1 MET 548 3HE MET 548 2.641 -5.602 -4.071
305 HE2 MET 548 1HE MET 548 3.056 -4.513 -2.747
306 HE3 MET 548 2HE MET 548 3.531 -6.210 -2.674
307 H HIS 549 H HIS 549 0.128 -2.345 -3.472
308 HA HIS 549 HA HIS 549 -1.241 -2.154 -6.023
309 HB2 HIS 549 2HB HIS 549 -3.287 -2.587 -4.470
310 HB3 HIS 549 1HB HIS 549 -2.152 -3.896 -4.775
311 HD1 HIS 549 1HD HIS 549 -1.996 -1.083 -2.211
312 HD2 HIS 549 2HD HIS 549 -2.008 -5.232 -2.432
313 HE1 HIS 549 1HE HIS 549 -1.664 -1.883 0.150
314 HE2 HIS 549 2HE HIS 549 -1.764 -4.396 0.002
315 H ASN 550 H ASN 550 -0.389 -0.129 -3.444
316 HA ASN 550 HA ASN 550 -0.715 2.100 -3.105
317 HB2 ASN 550 2HB ASN 550 -2.353 1.842 -5.628
318 HB3 ASN 550 1HB ASN 550 -2.238 3.354 -4.739
319 HD21 ASN 550 1HD2 ASN 550 0.049 0.806 -5.719
320 HD22 ASN 550 2HD2 ASN 550 1.206 1.885 -6.406
321 H GLN 551 H GLN 551 -3.454 -0.033 -3.451
322 HA GLN 551 HA GLN 551 -5.221 -0.349 -2.075
323 HB2 GLN 551 2HB GLN 551 -4.507 2.165 -0.590
324 HB3 GLN 551 1HB GLN 551 -5.478 0.807 -0.041
325 HG2 GLN 551 2HG GLN 551 -3.417 -0.609 -0.258
326 HG3 GLN 551 1HG GLN 551 -2.516 0.890 -0.471
327 HE21 GLN 551 1HE2 GLN 551 -3.589 -1.340 1.733
328 HE22 GLN 551 2HE2 GLN 551 -3.412 -0.409 3.179
329 H ASP 552 H ASP 552 -7.153 -0.057 -2.736
330 HA ASP 552 HA ASP 552 -8.310 2.551 -3.156
331 HB2 ASP 552 2HB ASP 552 -7.465 0.815 -5.408
332 HB3 ASP 552 1HB ASP 552 -9.052 1.566 -5.545
333 H GLY 553 H GLY 553 -9.222 1.067 -1.254
334 HA2 GLY 553 2HA GLY 553 -11.199 0.203 -0.446
335 HA3 GLY 553 1HA GLY 553 -11.864 0.350 -2.065
336 H LEU 554 H LEU 554 -9.244 -1.558 -0.584
337 HA LEU 554 HA LEU 554 -10.350 -3.934 -1.919
338 HB2 LEU 554 2HB LEU 554 -7.555 -3.586 -0.848
339 HB3 LEU 554 1HB LEU 554 -8.145 -4.872 -1.886
340 HG LEU 554 HG LEU 554 -7.685 -1.987 -2.629
341 HD11 LEU 554 1HD1 LEU 554 -6.403 -4.600 -3.328
342 HD12 LEU 554 2HD1 LEU 554 -5.654 -3.101 -2.778
343 HD13 LEU 554 3HD1 LEU 554 -6.296 -3.217 -4.417
344 HD21 LEU 554 3HD2 LEU 554 -8.400 -2.813 -4.936
345 HD22 LEU 554 1HD2 LEU 554 -9.675 -2.502 -3.757
346 HD23 LEU 554 2HD2 LEU 554 -9.163 -4.157 -4.086
347 H ILE 555 H ILE 555 -9.357 -2.593 1.141
348 HA ILE 555 HA ILE 555 -10.041 -5.130 2.464
349 HB ILE 555 HB ILE 555 -8.944 -3.580 4.451
350 HG12 ILE 555 2HG1 ILE 555 -8.254 -1.956 2.614
351 HG13 ILE 555 1HG1 ILE 555 -6.972 -2.518 3.676
352 HG21 ILE 555 1HG2 ILE 555 -6.942 -5.042 4.149
353 HG22 ILE 555 2HG2 ILE 555 -7.670 -5.627 2.654
354 HG23 ILE 555 3HG2 ILE 555 -8.483 -5.898 4.194
355 HD11 ILE 555 3HD1 ILE 555 -5.914 -3.642 2.027
356 HD12 ILE 555 1HD1 ILE 555 -6.723 -2.431 1.034
357 HD13 ILE 555 2HD1 ILE 555 -7.410 -4.048 1.187
358 H CYS 556 H CYS 556 -11.040 -1.881 2.017
359 HA CYS 556 HA CYS 556 -12.661 -1.815 4.415
360 HB2 CYS 556 2HB CYS 556 -11.470 0.171 3.095
361 HB3 CYS 556 1HB CYS 556 -13.003 0.200 2.242
362 H GLY 557 H GLY 557 -13.078 -3.803 2.224
363 HA2 GLY 557 2HA GLY 557 -15.787 -4.141 2.374
364 HA3 GLY 557 1HA GLY 557 -15.512 -3.188 0.917
365 H LEU 558 H LEU 558 -15.560 -4.449 -0.784
366 HA LEU 558 HA LEU 558 -13.773 -6.714 -0.934
367 HB2 LEU 558 2HB LEU 558 -16.507 -7.364 -1.848
368 HB3 LEU 558 1HB LEU 558 -15.282 -8.398 -1.143
369 HG LEU 558 HG LEU 558 -16.786 -6.409 0.534
370 HD11 LEU 558 1HD1 LEU 558 -17.618 -9.229 -0.122
371 HD12 LEU 558 2HD1 LEU 558 -18.468 -7.749 -0.573
372 HD13 LEU 558 3HD1 LEU 558 -18.338 -8.211 1.126
373 HD21 LEU 558 3HD2 LEU 558 -14.659 -8.139 1.038
374 HD22 LEU 558 1HD2 LEU 558 -16.069 -8.936 1.735
375 HD23 LEU 558 2HD2 LEU 558 -15.648 -7.296 2.231
376 H ARG 559 H ARG 559 -16.239 -4.718 -2.469
377 HA ARG 559 HA ARG 559 -14.653 -4.758 -4.932
378 HB2 ARG 559 2HB ARG 559 -16.941 -4.675 -6.147
379 HB3 ARG 559 1HB ARG 559 -16.325 -6.227 -5.600
380 HG2 ARG 559 2HG ARG 559 -17.864 -6.378 -3.878
381 HG3 ARG 559 1HG ARG 559 -18.166 -4.640 -3.863
382 HD2 ARG 559 2HD ARG 559 -20.078 -5.540 -4.854
383 HD3 ARG 559 1HD ARG 559 -19.114 -4.974 -6.216
384 HE ARG 559 HE ARG 559 -18.469 -7.650 -5.751
385 HH11 ARG 559 1HH1 ARG 559 -21.194 -5.745 -6.809
386 HH12 ARG 559 2HH1 ARG 559 -21.859 -7.011 -7.787
387 HH21 ARG 559 1HH2 ARG 559 -19.340 -9.316 -7.037
388 HH22 ARG 559 2HH2 ARG 559 -20.806 -9.039 -7.917
389 H GLN 560 H GLN 560 -14.570 -2.803 -2.984
390 HA GLN 560 HA GLN 560 -16.258 -0.671 -3.028
391 HB2 GLN 560 2HB GLN 560 -13.238 -0.627 -3.025
392 HB3 GLN 560 1HB GLN 560 -14.233 0.778 -2.680
393 HG2 GLN 560 2HG GLN 560 -13.783 -1.675 -1.046
394 HG3 GLN 560 1HG GLN 560 -13.700 0.023 -0.571
395 HE21 GLN 560 1HE2 GLN 560 -15.871 -2.613 -1.391
396 HE22 GLN 560 2HE2 GLN 560 -17.245 -1.999 -0.545
Start of MODEL 18
1 H1 ALA 507 1HT ALA 507 -9.666 -11.941 0.195
2 H2 ALA 507 2HT ALA 507 -9.384 -10.466 -0.636
3 H3 ALA 507 3HT ALA 507 -10.724 -11.451 -1.060
4 HA ALA 507 HA ALA 507 -11.219 -9.455 0.282
5 HB1 ALA 507 2HB ALA 507 -12.685 -10.824 1.876
6 HB2 ALA 507 3HB ALA 507 -11.990 -12.239 1.087
7 HB3 ALA 507 1HB ALA 507 -12.905 -11.064 0.144
8 H GLN 508 H GLN 508 -11.521 -8.807 2.573
9 HA GLN 508 HA GLN 508 -10.008 -9.870 4.675
10 HB2 GLN 508 2HB GLN 508 -8.396 -7.752 4.689
11 HB3 GLN 508 1HB GLN 508 -7.958 -9.253 3.890
12 HG2 GLN 508 2HG GLN 508 -9.440 -7.417 2.171
13 HG3 GLN 508 1HG GLN 508 -7.909 -6.764 2.755
14 HE21 GLN 508 1HE2 GLN 508 -8.329 -7.252 0.088
15 HE22 GLN 508 2HE2 GLN 508 -7.331 -8.566 -0.423
16 HA PRO 509 HA PRO 509 -12.770 -6.800 6.430
17 HB2 PRO 509 2HB PRO 509 -13.186 -7.958 8.732
18 HB3 PRO 509 1HB PRO 509 -13.607 -8.852 7.259
19 HG2 PRO 509 2HG PRO 509 -11.125 -9.045 8.933
20 HG3 PRO 509 1HG PRO 509 -12.167 -10.364 8.362
21 HD2 PRO 509 2HD PRO 509 -9.855 -9.537 7.094
22 HD3 PRO 509 1HD PRO 509 -11.197 -10.366 6.277
23 H LYS 510 H LYS 510 -11.504 -4.967 6.669
24 HA LYS 510 HA LYS 510 -10.516 -4.457 9.323
25 HB2 LYS 510 2HB LYS 510 -8.716 -4.740 6.989
26 HB3 LYS 510 1HB LYS 510 -8.396 -3.394 8.074
27 HG2 LYS 510 2HG LYS 510 -8.048 -4.846 9.912
28 HG3 LYS 510 1HG LYS 510 -8.679 -6.231 9.020
29 HD2 LYS 510 2HD LYS 510 -6.240 -6.298 9.144
30 HD3 LYS 510 1HD LYS 510 -6.789 -6.107 7.477
31 HE2 LYS 510 2HE LYS 510 -6.384 -3.680 7.655
32 HE3 LYS 510 1HE LYS 510 -5.767 -3.922 9.289
33 HZ1 LYS 510 3HZ LYS 510 -3.887 -4.977 8.518
34 HZ2 LYS 510 1HZ LYS 510 -4.126 -3.805 7.321
35 HZ3 LYS 510 2HZ LYS 510 -4.586 -5.408 7.039
36 H CYS 511 H CYS 511 -10.871 -3.284 6.050
37 HA CYS 511 HA CYS 511 -11.769 -1.402 5.192
38 HB2 CYS 511 2HB CYS 511 -12.872 -1.458 7.867
39 HB3 CYS 511 1HB CYS 511 -12.621 0.194 7.313
40 H ASN 512 H ASN 512 -9.102 -1.535 5.551
41 HA ASN 512 HA ASN 512 -8.461 1.279 6.051
42 HB2 ASN 512 2HB ASN 512 -7.650 -0.502 7.836
43 HB3 ASN 512 1HB ASN 512 -6.377 -0.772 6.649
44 HD21 ASN 512 1HD2 ASN 512 -5.831 1.658 5.681
45 HD22 ASN 512 2HD2 ASN 512 -5.282 2.718 6.925
46 HA PRO 513 HA PRO 513 -6.689 -0.539 2.050
47 HB2 PRO 513 2HB PRO 513 -8.578 -0.040 0.229
48 HB3 PRO 513 1HB PRO 513 -8.644 -1.482 1.245
49 HG2 PRO 513 2HG PRO 513 -10.127 1.105 1.549
50 HG3 PRO 513 1HG PRO 513 -10.727 -0.551 1.715
51 HD2 PRO 513 2HD PRO 513 -10.012 1.031 3.833
52 HD3 PRO 513 1HD PRO 513 -9.968 -0.743 3.859
53 H ASN 514 H ASN 514 -8.778 1.826 0.590
54 HA ASN 514 HA ASN 514 -6.498 3.531 0.150
55 HB2 ASN 514 2HB ASN 514 -8.109 4.814 -1.311
56 HB3 ASN 514 1HB ASN 514 -7.828 3.139 -1.775
57 HD21 ASN 514 1HD2 ASN 514 -9.991 4.737 0.573
58 HD22 ASN 514 2HD2 ASN 514 -11.427 3.978 -0.001
59 H LEU 515 H LEU 515 -8.122 3.309 2.796
60 HA LEU 515 HA LEU 515 -8.753 6.154 3.103
61 HB2 LEU 515 2HB LEU 515 -9.428 3.766 4.823
62 HB3 LEU 515 1HB LEU 515 -9.805 5.423 5.256
63 HG LEU 515 HG LEU 515 -11.812 4.642 4.385
64 HD11 LEU 515 1HD1 LEU 515 -12.096 5.708 2.172
65 HD12 LEU 515 2HD1 LEU 515 -10.345 5.912 2.075
66 HD13 LEU 515 3HD1 LEU 515 -11.261 6.739 3.336
67 HD21 LEU 515 3HD2 LEU 515 -11.560 3.514 1.934
68 HD22 LEU 515 1HD2 LEU 515 -11.632 2.607 3.446
69 HD23 LEU 515 2HD2 LEU 515 -10.072 2.967 2.709
70 H HIS 516 H HIS 516 -6.098 5.394 2.868
71 HA HIS 516 HA HIS 516 -4.871 6.752 4.951
72 HB2 HIS 516 2HB HIS 516 -5.510 4.714 6.271
73 HB3 HIS 516 1HB HIS 516 -4.481 3.761 5.206
74 HD1 HIS 516 1HD HIS 516 -2.650 3.109 6.785
75 HD2 HIS 516 2HD HIS 516 -3.432 7.190 6.853
76 HE1 HIS 516 1HE HIS 516 -0.836 4.119 8.205
77 HE2 HIS 516 2HE HIS 516 -1.377 6.577 8.299
78 H TYR 517 H TYR 517 -4.654 4.279 2.503
79 HA TYR 517 HA TYR 517 -2.082 3.928 1.892
80 HB2 TYR 517 2HB TYR 517 -2.705 3.521 -0.345
81 HB3 TYR 517 1HB TYR 517 -4.153 3.201 0.594
82 HD1 TYR 517 2HD TYR 517 -5.630 5.484 0.928
83 HD2 TYR 517 1HD TYR 517 -3.054 4.613 -2.339
84 HE1 TYR 517 2HE TYR 517 -6.903 7.046 -0.481
85 HE2 TYR 517 1HE TYR 517 -4.315 6.173 -3.759
86 HH TYR 517 HH TYR 517 -6.373 8.455 -2.606
87 H TRP 518 H TRP 518 -3.857 6.893 1.131
88 HA TRP 518 HA TRP 518 -1.778 8.209 -0.258
89 HB2 TRP 518 2HB TRP 518 -3.135 10.293 0.430
90 HB3 TRP 518 1HB TRP 518 -3.955 9.085 -0.559
91 HD1 TRP 518 HD TRP 518 -3.511 8.360 3.140
92 HE1 TRP 518 1HE TRP 518 -5.798 8.438 4.299
93 HE3 TRP 518 3HE TRP 518 -6.289 10.240 -0.707
94 HZ2 TRP 518 2HZ TRP 518 -8.446 9.207 3.667
95 HZ3 TRP 518 3HZ TRP 518 -8.696 10.622 -0.351
96 HH2 TRP 518 HH TRP 518 -9.750 10.113 1.792
97 H THR 519 H THR 519 0.015 7.628 1.189
98 HA THR 519 HA THR 519 0.615 9.785 2.993
99 HB THR 519 HB THR 519 -0.601 8.512 4.561
100 HG1 THR 519 1HG THR 519 2.076 7.673 4.912
101 HG21 THR 519 3HG2 THR 519 0.893 6.003 4.317
102 HG22 THR 519 1HG2 THR 519 -0.258 6.345 3.026
103 HG23 THR 519 2HG2 THR 519 -0.804 6.291 4.703
104 H THR 520 H THR 520 1.533 6.439 2.285
105 HA THR 520 HA THR 520 4.257 7.378 1.724
106 HB THR 520 HB THR 520 3.920 6.007 3.882
107 HG1 THR 520 1HG THR 520 5.779 5.251 1.887
108 HG21 THR 520 3HG2 THR 520 2.514 4.228 3.087
109 HG22 THR 520 1HG2 THR 520 4.076 3.569 3.578
110 HG23 THR 520 2HG2 THR 520 3.706 3.784 1.866
111 H GLN 521 H GLN 521 1.491 6.150 0.457
112 HA GLN 521 HA GLN 521 2.846 4.495 -1.508
113 HB2 GLN 521 2HB GLN 521 0.868 3.395 -1.908
114 HB3 GLN 521 1HB GLN 521 0.643 3.847 -0.225
115 HG2 GLN 521 2HG GLN 521 -1.368 4.410 -1.149
116 HG3 GLN 521 1HG GLN 521 -0.505 5.945 -1.200
117 HE21 GLN 521 1HE2 GLN 521 -0.789 6.991 -2.997
118 HE22 GLN 521 2HE2 GLN 521 -0.999 6.313 -4.570
119 H ASP 522 H ASP 522 1.297 7.511 -1.078
120 HA ASP 522 HA ASP 522 1.395 8.085 -3.955
121 HB2 ASP 522 2HB ASP 522 -0.561 8.669 -2.009
122 HB3 ASP 522 1HB ASP 522 0.196 10.206 -2.412
123 H GLU 523 H GLU 523 3.223 8.305 -1.339
124 HA GLU 523 HA GLU 523 4.690 10.646 -2.311
125 HB2 GLU 523 2HB GLU 523 4.694 10.145 0.616
126 HB3 GLU 523 1HB GLU 523 4.792 11.666 -0.263
127 HG2 GLU 523 2HG GLU 523 2.320 11.128 -0.885
128 HG3 GLU 523 1HG GLU 523 2.395 10.090 0.540
129 H GLY 524 H GLY 524 4.574 7.482 -1.025
130 HA2 GLY 524 2HA GLY 524 7.511 7.310 -1.072
131 HA3 GLY 524 1HA GLY 524 6.488 6.329 -0.027
132 H ALA 525 H ALA 525 4.458 5.924 -2.117
133 HA ALA 525 HA ALA 525 5.910 3.871 -3.625
134 HB1 ALA 525 1HB ALA 525 2.927 4.091 -3.286
135 HB2 ALA 525 2HB ALA 525 3.971 3.204 -2.180
136 HB3 ALA 525 3HB ALA 525 3.846 2.703 -3.867
137 H ALA 526 H ALA 526 5.662 6.782 -4.200
138 HA ALA 526 HA ALA 526 4.877 6.516 -7.014
139 HB1 ALA 526 1HB ALA 526 2.983 7.588 -6.162
140 HB2 ALA 526 2HB ALA 526 3.969 8.897 -6.814
141 HB3 ALA 526 3HB ALA 526 3.937 8.599 -5.075
142 H ILE 527 H ILE 527 7.213 7.295 -4.835
143 HA ILE 527 HA ILE 527 8.780 8.702 -6.827
144 HB ILE 527 HB ILE 527 9.470 10.127 -4.593
145 HG12 ILE 527 2HG1 ILE 527 7.203 9.036 -3.692
146 HG13 ILE 527 1HG1 ILE 527 7.684 10.673 -3.262
147 HG21 ILE 527 1HG2 ILE 527 7.576 10.804 -6.826
148 HG22 ILE 527 2HG2 ILE 527 9.306 11.128 -6.728
149 HG23 ILE 527 3HG2 ILE 527 8.186 11.998 -5.680
150 HD11 ILE 527 3HD1 ILE 527 5.990 10.290 -5.673
151 HD12 ILE 527 1HD1 ILE 527 6.043 11.628 -4.524
152 HD13 ILE 527 2HD1 ILE 527 5.252 10.115 -4.079
153 H GLY 528 H GLY 528 8.583 7.215 -3.625
154 HA2 GLY 528 2HA GLY 528 11.388 6.958 -3.247
155 HA3 GLY 528 1HA GLY 528 10.141 6.101 -2.356
156 H LEU 529 H LEU 529 10.650 4.003 -2.410
157 HA LEU 529 HA LEU 529 11.307 2.848 -5.038
158 HB2 LEU 529 2HB LEU 529 12.699 2.653 -2.460
159 HB3 LEU 529 1HB LEU 529 12.494 1.131 -3.301
160 HG LEU 529 HG LEU 529 13.641 2.037 -5.262
161 HD11 LEU 529 1HD1 LEU 529 13.200 4.300 -5.347
162 HD12 LEU 529 2HD1 LEU 529 14.878 4.270 -4.809
163 HD13 LEU 529 3HD1 LEU 529 13.583 4.547 -3.644
164 HD21 LEU 529 3HD2 LEU 529 15.314 2.631 -2.839
165 HD22 LEU 529 1HD2 LEU 529 15.826 1.975 -4.394
166 HD23 LEU 529 2HD2 LEU 529 14.862 0.989 -3.296
167 H ALA 530 H ALA 530 9.009 2.429 -5.196
168 HA ALA 530 HA ALA 530 8.068 0.152 -3.567
169 HB1 ALA 530 1HB ALA 530 5.933 1.058 -5.106
170 HB2 ALA 530 2HB ALA 530 6.771 2.524 -4.606
171 HB3 ALA 530 3HB ALA 530 6.201 1.377 -3.393
172 H TRP 531 H TRP 531 8.687 1.358 -6.734
173 HA TRP 531 HA TRP 531 7.596 -0.767 -8.281
174 HB2 TRP 531 2HB TRP 531 9.417 0.352 -9.933
175 HB3 TRP 531 1HB TRP 531 7.862 1.105 -9.590
176 HD1 TRP 531 HD TRP 531 11.415 1.190 -8.025
177 HE1 TRP 531 1HE TRP 531 11.866 3.587 -7.224
178 HE3 TRP 531 3HE TRP 531 6.949 3.312 -9.309
179 HZ2 TRP 531 2HZ TRP 531 10.504 6.079 -7.173
180 HZ3 TRP 531 3HZ TRP 531 6.597 5.703 -8.851
181 HH2 TRP 531 HH TRP 531 8.335 7.057 -7.801
182 H ILE 532 H ILE 532 10.396 -0.444 -6.393
183 HA ILE 532 HA ILE 532 11.947 -2.396 -7.893
184 HB ILE 532 HB ILE 532 13.061 -0.404 -7.085
185 HG12 ILE 532 2HG1 ILE 532 14.166 -2.484 -5.260
186 HG13 ILE 532 1HG1 ILE 532 14.108 -2.837 -6.989
187 HG21 ILE 532 1HG2 ILE 532 11.548 -0.919 -4.721
188 HG22 ILE 532 2HG2 ILE 532 12.468 0.511 -5.172
189 HG23 ILE 532 3HG2 ILE 532 13.260 -0.809 -4.313
190 HD11 ILE 532 3HD1 ILE 532 16.002 -1.300 -5.572
191 HD12 ILE 532 1HD1 ILE 532 15.120 -0.209 -6.644
192 HD13 ILE 532 2HD1 ILE 532 15.932 -1.633 -7.303
193 HA PRO 533 HA PRO 533 10.118 -5.402 -4.986
194 HB2 PRO 533 2HB PRO 533 10.569 -7.585 -6.500
195 HB3 PRO 533 1HB PRO 533 9.229 -6.477 -6.828
196 HG2 PRO 533 2HG PRO 533 11.913 -6.648 -8.149
197 HG3 PRO 533 1HG PRO 533 10.314 -6.443 -8.889
198 HD2 PRO 533 2HD PRO 533 12.029 -4.374 -8.464
199 HD3 PRO 533 1HD PRO 533 10.265 -4.188 -8.454
200 H TYR 534 H TYR 534 12.335 -4.513 -3.989
201 HA TYR 534 HA TYR 534 14.379 -6.603 -4.083
202 HB2 TYR 534 2HB TYR 534 15.103 -4.264 -4.378
203 HB3 TYR 534 1HB TYR 534 14.454 -3.869 -2.790
204 HD1 TYR 534 1HD TYR 534 16.280 -6.972 -3.616
205 HD2 TYR 534 2HD TYR 534 16.466 -3.151 -1.763
206 HE1 TYR 534 1HE TYR 534 18.434 -7.582 -2.595
207 HE2 TYR 534 2HE TYR 534 18.622 -3.746 -0.735
208 HH TYR 534 HH TYR 534 19.755 -6.825 -0.493
209 H PHE 535 H PHE 535 12.333 -4.849 -1.776
210 HA PHE 535 HA PHE 535 12.860 -6.992 0.180
211 HB2 PHE 535 2HB PHE 535 11.887 -4.814 1.631
212 HB3 PHE 535 1HB PHE 535 13.550 -5.383 1.579
213 HD1 PHE 535 2HD PHE 535 11.188 -3.149 -0.238
214 HD2 PHE 535 1HD PHE 535 15.218 -3.958 0.864
215 HE1 PHE 535 2HE PHE 535 11.885 -1.009 -1.232
216 HE2 PHE 535 1HE PHE 535 15.922 -1.818 -0.125
217 HZ PHE 535 HZ PHE 535 14.254 -0.340 -1.174
218 H GLY 536 H GLY 536 10.458 -4.755 -1.128
219 HA2 GLY 536 2HA GLY 536 8.162 -4.773 -1.066
220 HA3 GLY 536 1HA GLY 536 8.352 -6.507 -1.244
221 HA PRO 537 HA PRO 537 6.223 -6.753 2.657
222 HB2 PRO 537 2HB PRO 537 7.219 -9.503 2.869
223 HB3 PRO 537 1HB PRO 537 5.562 -8.923 2.688
224 HG2 PRO 537 2HG PRO 537 6.860 -10.204 0.703
225 HG3 PRO 537 1HG PRO 537 5.669 -8.929 0.388
226 HD2 PRO 537 2HD PRO 537 8.661 -8.780 0.358
227 HD3 PRO 537 1HD PRO 537 7.483 -8.055 -0.758
228 H ALA 538 H ALA 538 9.561 -6.923 2.276
229 HA ALA 538 HA ALA 538 10.124 -7.517 5.071
230 HB1 ALA 538 1HB ALA 538 12.316 -6.631 3.309
231 HB2 ALA 538 2HB ALA 538 11.503 -8.125 2.840
232 HB3 ALA 538 3HB ALA 538 12.239 -7.986 4.436
233 H ALA 539 H ALA 539 10.141 -4.828 2.822
234 HA ALA 539 HA ALA 539 11.365 -2.981 4.645
235 HB1 ALA 539 1HB ALA 539 11.740 -2.408 2.434
236 HB2 ALA 539 2HB ALA 539 10.438 -1.309 2.895
237 HB3 ALA 539 3HB ALA 539 10.077 -2.759 1.959
238 H GLU 540 H GLU 540 8.242 -4.224 4.205
239 HA GLU 540 HA GLU 540 6.443 -2.293 4.683
240 HB2 GLU 540 2HB GLU 540 5.012 -3.937 5.590
241 HB3 GLU 540 1HB GLU 540 6.067 -4.765 4.452
242 HG2 GLU 540 2HG GLU 540 7.490 -5.406 6.438
243 HG3 GLU 540 1HG GLU 540 6.168 -4.828 7.451
244 H GLY 541 H GLY 541 6.704 -0.565 5.966
245 HA2 GLY 541 2HA GLY 541 6.124 0.127 8.251
246 HA3 GLY 541 1HA GLY 541 7.260 -1.080 8.817
247 H ILE 542 H ILE 542 8.800 0.180 6.241
248 HA ILE 542 HA ILE 542 10.204 2.101 7.957
249 HB ILE 542 HB ILE 542 11.162 0.917 5.356
250 HG12 ILE 542 2HG1 ILE 542 12.577 0.026 7.710
251 HG13 ILE 542 1HG1 ILE 542 10.863 -0.354 7.847
252 HG21 ILE 542 1HG2 ILE 542 13.326 1.766 5.988
253 HG22 ILE 542 2HG2 ILE 542 12.689 2.345 7.528
254 HG23 ILE 542 3HG2 ILE 542 12.157 3.086 6.019
255 HD11 ILE 542 3HD1 ILE 542 11.463 -1.091 5.274
256 HD12 ILE 542 1HD1 ILE 542 11.330 -2.168 6.666
257 HD13 ILE 542 2HD1 ILE 542 12.908 -1.547 6.181
258 H TYR 543 H TYR 543 8.519 1.841 4.878
259 HA TYR 543 HA TYR 543 7.819 4.524 4.776
260 HB2 TYR 543 2HB TYR 543 9.435 4.943 2.627
261 HB3 TYR 543 1HB TYR 543 9.794 5.502 4.258
262 HD1 TYR 543 1HD TYR 543 10.026 1.998 3.034
263 HD2 TYR 543 2HD TYR 543 12.144 5.499 4.203
264 HE1 TYR 543 1HE TYR 543 12.132 0.732 2.988
265 HE2 TYR 543 2HE TYR 543 14.256 4.241 4.162
266 HH TYR 543 HH TYR 543 14.357 0.824 3.905
267 H ILE 544 H ILE 544 9.167 3.264 1.834
268 HA ILE 544 HA ILE 544 6.661 3.307 0.517
269 HB ILE 544 HB ILE 544 9.188 2.025 -0.492
270 HG12 ILE 544 2HG1 ILE 544 9.158 4.586 -1.499
271 HG13 ILE 544 1HG1 ILE 544 8.595 4.824 0.151
272 HG21 ILE 544 1HG2 ILE 544 8.186 3.112 -2.644
273 HG22 ILE 544 2HG2 ILE 544 6.681 3.063 -1.725
274 HG23 ILE 544 3HG2 ILE 544 7.565 1.572 -2.051
275 HD11 ILE 544 3HD1 ILE 544 11.196 4.735 -0.617
276 HD12 ILE 544 1HD1 ILE 544 10.927 3.081 -0.070
277 HD13 ILE 544 2HD1 ILE 544 10.609 4.431 1.019
278 H GLU 545 H GLU 545 8.912 0.599 1.078
279 HA GLU 545 HA GLU 545 8.579 -1.647 1.243
280 HB2 GLU 545 2HB GLU 545 5.743 -1.366 2.056
281 HB3 GLU 545 1HB GLU 545 7.035 -2.302 2.790
282 HG2 GLU 545 2HG GLU 545 7.483 -0.710 4.276
283 HG3 GLU 545 1HG GLU 545 7.449 0.564 3.065
284 H GLY 546 H GLY 546 7.108 -3.501 0.481
285 HA2 GLY 546 2HA GLY 546 6.676 -3.324 -2.251
286 HA3 GLY 546 1HA GLY 546 5.922 -4.526 -1.210
287 H LEU 547 H LEU 547 3.881 -4.063 -0.269
288 HA LEU 547 HA LEU 547 1.664 -3.531 -0.664
289 HB2 LEU 547 2HB LEU 547 1.226 -1.191 -0.025
290 HB3 LEU 547 1HB LEU 547 2.349 -1.996 1.056
291 HG LEU 547 HG LEU 547 4.210 -0.873 -0.290
292 HD11 LEU 547 1HD1 LEU 547 3.186 -0.128 -2.241
293 HD12 LEU 547 2HD1 LEU 547 3.367 1.341 -1.280
294 HD13 LEU 547 3HD1 LEU 547 1.799 0.536 -1.375
295 HD21 LEU 547 3HD2 LEU 547 3.416 1.440 0.844
296 HD22 LEU 547 1HD2 LEU 547 4.126 0.093 1.733
297 HD23 LEU 547 2HD2 LEU 547 2.372 0.293 1.686
298 H MET 548 H MET 548 3.074 -3.731 -3.178
299 HA MET 548 HA MET 548 2.485 -1.515 -4.836
300 HB2 MET 548 2HB MET 548 2.713 -4.341 -5.805
301 HB3 MET 548 1HB MET 548 3.108 -2.857 -6.657
302 HG2 MET 548 2HG MET 548 5.201 -2.942 -5.947
303 HG3 MET 548 1HG MET 548 4.671 -3.029 -4.268
304 HE1 MET 548 3HE MET 548 4.645 -4.844 -2.858
305 HE2 MET 548 1HE MET 548 5.057 -6.525 -3.195
306 HE3 MET 548 2HE MET 548 3.464 -5.903 -3.626
307 H HIS 549 H HIS 549 0.198 -2.145 -3.318
308 HA HIS 549 HA HIS 549 -1.671 -3.038 -5.409
309 HB2 HIS 549 2HB HIS 549 -2.332 -2.928 -2.471
310 HB3 HIS 549 1HB HIS 549 -3.146 -3.831 -3.744
311 HD1 HIS 549 1HD HIS 549 -1.068 -4.411 -0.969
312 HD2 HIS 549 2HD HIS 549 -1.115 -5.854 -4.866
313 HE1 HIS 549 1HE HIS 549 0.241 -6.556 -0.907
314 HE2 HIS 549 2HE HIS 549 0.118 -7.460 -3.256
315 H ASN 550 H ASN 550 -0.544 -0.471 -3.520
316 HA ASN 550 HA ASN 550 -1.096 1.725 -3.367
317 HB2 ASN 550 2HB ASN 550 -2.621 0.864 -5.777
318 HB3 ASN 550 1HB ASN 550 -3.014 2.431 -5.076
319 HD21 ASN 550 1HD2 ASN 550 0.150 0.893 -5.092
320 HD22 ASN 550 2HD2 ASN 550 0.918 2.065 -6.098
321 H GLN 551 H GLN 551 -3.893 -0.441 -3.478
322 HA GLN 551 HA GLN 551 -5.549 -0.709 -1.935
323 HB2 GLN 551 2HB GLN 551 -4.782 1.923 -0.688
324 HB3 GLN 551 1HB GLN 551 -5.754 0.635 0.005
325 HG2 GLN 551 2HG GLN 551 -3.676 -0.818 -0.215
326 HG3 GLN 551 1HG GLN 551 -2.803 0.695 -0.455
327 HE21 GLN 551 1HE2 GLN 551 -3.786 -1.515 1.788
328 HE22 GLN 551 2HE2 GLN 551 -3.661 -0.549 3.215
329 H ASP 552 H ASP 552 -7.528 -0.468 -2.497
330 HA ASP 552 HA ASP 552 -8.700 2.094 -3.094
331 HB2 ASP 552 2HB ASP 552 -7.975 0.159 -5.230
332 HB3 ASP 552 1HB ASP 552 -9.543 0.949 -5.361
333 H GLY 553 H GLY 553 -9.532 0.745 -1.036
334 HA2 GLY 553 2HA GLY 553 -11.401 -0.137 -0.055
335 HA3 GLY 553 1HA GLY 553 -12.224 0.135 -1.576
336 H LEU 554 H LEU 554 -9.483 -1.974 -0.798
337 HA LEU 554 HA LEU 554 -10.920 -4.201 -2.030
338 HB2 LEU 554 2HB LEU 554 -8.114 -4.375 -1.005
339 HB3 LEU 554 1HB LEU 554 -8.863 -5.246 -2.330
340 HG LEU 554 HG LEU 554 -7.931 -2.381 -2.319
341 HD11 LEU 554 1HD1 LEU 554 -7.119 -4.319 -4.387
342 HD12 LEU 554 2HD1 LEU 554 -6.489 -4.598 -2.764
343 HD13 LEU 554 3HD1 LEU 554 -6.187 -3.061 -3.576
344 HD21 LEU 554 3HD2 LEU 554 -9.719 -3.848 -4.220
345 HD22 LEU 554 1HD2 LEU 554 -8.655 -2.564 -4.795
346 HD23 LEU 554 2HD2 LEU 554 -9.879 -2.215 -3.572
347 H ILE 555 H ILE 555 -9.760 -3.055 1.024
348 HA ILE 555 HA ILE 555 -10.383 -5.594 2.344
349 HB ILE 555 HB ILE 555 -9.280 -3.148 3.705
350 HG12 ILE 555 2HG1 ILE 555 -7.167 -4.957 3.165
351 HG13 ILE 555 1HG1 ILE 555 -7.991 -4.671 1.636
352 HG21 ILE 555 1HG2 ILE 555 -9.976 -4.790 5.241
353 HG22 ILE 555 2HG2 ILE 555 -8.223 -4.954 5.126
354 HG23 ILE 555 3HG2 ILE 555 -9.272 -6.090 4.284
355 HD11 ILE 555 3HD1 ILE 555 -6.083 -3.061 2.873
356 HD12 ILE 555 1HD1 ILE 555 -7.612 -2.199 3.039
357 HD13 ILE 555 2HD1 ILE 555 -7.043 -2.685 1.442
358 H CYS 556 H CYS 556 -11.288 -2.201 2.250
359 HA CYS 556 HA CYS 556 -13.244 -2.404 4.329
360 HB2 CYS 556 2HB CYS 556 -11.916 -0.316 3.489
361 HB3 CYS 556 1HB CYS 556 -13.192 -0.201 2.289
362 H GLY 557 H GLY 557 -13.593 -1.601 0.869
363 HA2 GLY 557 2HA GLY 557 -16.366 -2.514 0.981
364 HA3 GLY 557 1HA GLY 557 -15.621 -1.613 -0.328
365 H LEU 558 H LEU 558 -13.303 -3.474 -0.372
366 HA LEU 558 HA LEU 558 -12.630 -5.381 -1.424
367 HB2 LEU 558 2HB LEU 558 -15.380 -6.480 -0.929
368 HB3 LEU 558 1HB LEU 558 -13.883 -7.372 -1.133
369 HG LEU 558 HG LEU 558 -13.287 -5.909 1.073
370 HD11 LEU 558 1HD1 LEU 558 -15.172 -4.916 1.767
371 HD12 LEU 558 2HD1 LEU 558 -15.571 -6.517 2.392
372 HD13 LEU 558 3HD1 LEU 558 -16.211 -5.992 0.833
373 HD21 LEU 558 3HD2 LEU 558 -12.889 -8.249 0.946
374 HD22 LEU 558 1HD2 LEU 558 -14.615 -8.602 0.859
375 HD23 LEU 558 2HD2 LEU 558 -13.917 -7.977 2.353
376 H ARG 559 H ARG 559 -14.402 -3.216 -2.699
377 HA ARG 559 HA ARG 559 -14.393 -4.291 -5.324
378 HB2 ARG 559 2HB ARG 559 -17.036 -3.835 -5.422
379 HB3 ARG 559 1HB ARG 559 -16.350 -5.421 -5.091
380 HG2 ARG 559 2HG ARG 559 -16.737 -5.220 -2.773
381 HG3 ARG 559 1HG ARG 559 -17.061 -3.490 -2.902
382 HD2 ARG 559 2HD ARG 559 -19.215 -4.146 -2.865
383 HD3 ARG 559 1HD ARG 559 -18.942 -4.462 -4.578
384 HE ARG 559 HE ARG 559 -18.238 -6.736 -3.075
385 HH11 ARG 559 1HH1 ARG 559 -21.048 -4.934 -4.091
386 HH12 ARG 559 2HH1 ARG 559 -22.097 -6.311 -4.059
387 HH21 ARG 559 1HH2 ARG 559 -19.616 -8.549 -3.033
388 HH22 ARG 559 2HH2 ARG 559 -21.285 -8.364 -3.458
389 H GLN 560 H GLN 560 -13.765 -1.822 -3.604
390 HA GLN 560 HA GLN 560 -15.351 0.248 -4.849
391 HB2 GLN 560 2HB GLN 560 -12.830 0.629 -3.239
392 HB3 GLN 560 1HB GLN 560 -14.107 1.800 -3.528
393 HG2 GLN 560 2HG GLN 560 -14.082 -0.549 -1.685
394 HG3 GLN 560 1HG GLN 560 -14.484 1.133 -1.346
395 HE21 GLN 560 1HE2 GLN 560 -15.638 -1.925 -2.408
396 HE22 GLN 560 2HE2 GLN 560 -17.308 -1.511 -2.525
Start of MODEL 19
1 H1 ALA 507 1HT ALA 507 -9.089 -8.613 -0.708
2 H2 ALA 507 2HT ALA 507 -9.492 -10.026 -1.596
3 H3 ALA 507 3HT ALA 507 -8.368 -10.113 -0.301
4 HA ALA 507 HA ALA 507 -11.110 -9.189 0.112
5 HB1 ALA 507 2HB ALA 507 -11.981 -11.284 0.206
6 HB2 ALA 507 3HB ALA 507 -10.445 -12.023 0.661
7 HB3 ALA 507 1HB ALA 507 -10.745 -11.572 -1.018
8 H GLN 508 H GLN 508 -10.747 -8.035 1.919
9 HA GLN 508 HA GLN 508 -9.943 -9.433 4.292
10 HB2 GLN 508 2HB GLN 508 -8.194 -7.592 4.811
11 HB3 GLN 508 1HB GLN 508 -7.735 -8.941 3.786
12 HG2 GLN 508 2HG GLN 508 -8.643 -7.137 1.951
13 HG3 GLN 508 1HG GLN 508 -7.926 -6.090 3.174
14 HE21 GLN 508 1HE2 GLN 508 -6.765 -5.999 0.820
15 HE22 GLN 508 2HE2 GLN 508 -5.267 -6.856 0.801
16 HA PRO 509 HA PRO 509 -12.773 -6.222 5.638
17 HB2 PRO 509 2HB PRO 509 -13.678 -7.410 7.783
18 HB3 PRO 509 1HB PRO 509 -13.918 -8.205 6.218
19 HG2 PRO 509 2HG PRO 509 -11.796 -8.707 8.279
20 HG3 PRO 509 1HG PRO 509 -12.830 -9.892 7.455
21 HD2 PRO 509 2HD PRO 509 -10.265 -9.241 6.666
22 HD3 PRO 509 1HD PRO 509 -11.504 -9.897 5.576
23 H LYS 510 H LYS 510 -11.048 -4.712 6.038
24 HA LYS 510 HA LYS 510 -10.550 -4.337 8.885
25 HB2 LYS 510 2HB LYS 510 -8.544 -4.822 6.826
26 HB3 LYS 510 1HB LYS 510 -8.202 -3.426 7.841
27 HG2 LYS 510 2HG LYS 510 -7.973 -4.703 9.738
28 HG3 LYS 510 1HG LYS 510 -8.980 -6.006 9.103
29 HD2 LYS 510 2HD LYS 510 -6.437 -5.413 7.690
30 HD3 LYS 510 1HD LYS 510 -6.334 -6.212 9.261
31 HE2 LYS 510 2HE LYS 510 -8.346 -7.323 7.432
32 HE3 LYS 510 1HE LYS 510 -6.677 -7.496 6.891
33 HZ1 LYS 510 3HZ LYS 510 -7.373 -9.391 8.208
34 HZ2 LYS 510 1HZ LYS 510 -7.746 -8.385 9.516
35 HZ3 LYS 510 2HZ LYS 510 -6.142 -8.546 9.002
36 H CYS 511 H CYS 511 -10.539 -2.923 5.699
37 HA CYS 511 HA CYS 511 -11.186 -0.889 4.955
38 HB2 CYS 511 2HB CYS 511 -12.302 -0.901 7.658
39 HB3 CYS 511 1HB CYS 511 -11.957 0.709 7.037
40 H ASN 512 H ASN 512 -8.596 -1.344 5.281
41 HA ASN 512 HA ASN 512 -7.645 1.323 6.052
42 HB2 ASN 512 2HB ASN 512 -6.915 -0.281 7.761
43 HB3 ASN 512 1HB ASN 512 -6.152 -1.264 6.517
44 HD21 ASN 512 1HD2 ASN 512 -5.944 2.124 6.028
45 HD22 ASN 512 2HD2 ASN 512 -4.311 2.320 6.550
46 HA PRO 513 HA PRO 513 -6.017 -0.107 1.843
47 HB2 PRO 513 2HB PRO 513 -7.951 0.243 0.079
48 HB3 PRO 513 1HB PRO 513 -7.981 -1.163 1.148
49 HG2 PRO 513 2HG PRO 513 -9.479 1.425 1.413
50 HG3 PRO 513 1HG PRO 513 -10.086 -0.230 1.579
51 HD2 PRO 513 2HD PRO 513 -9.331 1.362 3.698
52 HD3 PRO 513 1HD PRO 513 -9.345 -0.411 3.728
53 H ASN 514 H ASN 514 -8.160 2.017 0.268
54 HA ASN 514 HA ASN 514 -6.095 3.943 -0.106
55 HB2 ASN 514 2HB ASN 514 -7.545 4.955 -1.703
56 HB3 ASN 514 1HB ASN 514 -7.748 3.212 -1.857
57 HD21 ASN 514 1HD2 ASN 514 -9.768 2.723 -2.262
58 HD22 ASN 514 2HD2 ASN 514 -11.164 3.464 -1.564
59 H LEU 515 H LEU 515 -7.947 3.540 2.502
60 HA LEU 515 HA LEU 515 -8.518 6.383 2.902
61 HB2 LEU 515 2HB LEU 515 -9.321 3.983 4.553
62 HB3 LEU 515 1HB LEU 515 -9.802 5.642 4.866
63 HG LEU 515 HG LEU 515 -11.662 4.682 3.812
64 HD11 LEU 515 1HD1 LEU 515 -10.032 6.104 1.711
65 HD12 LEU 515 2HD1 LEU 515 -11.161 6.830 2.856
66 HD13 LEU 515 3HD1 LEU 515 -11.760 5.765 1.583
67 HD21 LEU 515 3HD2 LEU 515 -9.793 2.913 2.705
68 HD22 LEU 515 1HD2 LEU 515 -10.577 3.699 1.336
69 HD23 LEU 515 2HD2 LEU 515 -11.548 2.857 2.542
70 H HIS 516 H HIS 516 -5.874 5.593 2.802
71 HA HIS 516 HA HIS 516 -4.757 6.811 5.021
72 HB2 HIS 516 2HB HIS 516 -5.592 4.388 5.862
73 HB3 HIS 516 1HB HIS 516 -3.998 3.952 5.258
74 HD1 HIS 516 1HD HIS 516 -4.369 3.627 8.187
75 HD2 HIS 516 2HD HIS 516 -3.181 7.236 6.507
76 HE1 HIS 516 1HE HIS 516 -3.217 4.884 10.037
77 HE2 HIS 516 2HE HIS 516 -2.559 7.089 9.012
78 H TYR 517 H TYR 517 -4.438 4.494 2.434
79 HA TYR 517 HA TYR 517 -1.832 4.102 1.993
80 HB2 TYR 517 2HB TYR 517 -2.296 3.859 -0.310
81 HB3 TYR 517 1HB TYR 517 -3.813 3.507 0.501
82 HD1 TYR 517 2HD TYR 517 -5.260 5.808 0.894
83 HD2 TYR 517 1HD TYR 517 -2.496 5.076 -2.255
84 HE1 TYR 517 2HE TYR 517 -6.411 7.480 -0.494
85 HE2 TYR 517 1HE TYR 517 -3.634 6.748 -3.651
86 HH TYR 517 HH TYR 517 -6.198 7.709 -3.651
87 H TRP 518 H TRP 518 -3.487 7.151 1.330
88 HA TRP 518 HA TRP 518 -1.286 8.507 0.181
89 HB2 TRP 518 2HB TRP 518 -2.656 10.571 0.917
90 HB3 TRP 518 1HB TRP 518 -3.403 9.463 -0.231
91 HD1 TRP 518 HD TRP 518 -3.307 8.473 3.438
92 HE1 TRP 518 1HE TRP 518 -5.695 8.509 4.380
93 HE3 TRP 518 3HE TRP 518 -5.694 10.645 -0.518
94 HZ2 TRP 518 2HZ TRP 518 -8.264 9.361 3.556
95 HZ3 TRP 518 3HZ TRP 518 -8.119 11.040 -0.364
96 HH2 TRP 518 HH TRP 518 -9.376 10.408 1.631
97 H THR 519 H THR 519 0.400 7.825 1.690
98 HA THR 519 HA THR 519 0.950 9.840 3.638
99 HB THR 519 HB THR 519 -0.521 8.592 5.028
100 HG1 THR 519 1HG THR 519 2.091 7.702 5.657
101 HG21 THR 519 3HG2 THR 519 -0.739 6.353 5.194
102 HG22 THR 519 1HG2 THR 519 0.962 6.048 4.834
103 HG23 THR 519 2HG2 THR 519 -0.156 6.449 3.529
104 H THR 520 H THR 520 1.692 6.455 2.902
105 HA THR 520 HA THR 520 4.530 7.186 2.679
106 HB THR 520 HB THR 520 4.040 5.762 4.668
107 HG1 THR 520 1HG THR 520 5.607 4.123 4.082
108 HG21 THR 520 3HG2 THR 520 2.736 4.072 2.656
109 HG22 THR 520 1HG2 THR 520 2.456 4.205 4.392
110 HG23 THR 520 2HG2 THR 520 3.795 3.228 3.787
111 H GLN 521 H GLN 521 1.799 6.234 1.075
112 HA GLN 521 HA GLN 521 3.213 4.647 -0.894
113 HB2 GLN 521 2HB GLN 521 1.214 3.708 -1.493
114 HB3 GLN 521 1HB GLN 521 0.823 4.153 0.161
115 HG2 GLN 521 2HG GLN 521 -1.012 4.895 -0.997
116 HG3 GLN 521 1HG GLN 521 -0.033 6.353 -0.886
117 HE21 GLN 521 1HE2 GLN 521 -0.329 7.453 -2.672
118 HE22 GLN 521 2HE2 GLN 521 -0.257 6.830 -4.279
119 H ASP 522 H ASP 522 1.459 7.605 -0.489
120 HA ASP 522 HA ASP 522 1.894 8.424 -3.246
121 HB2 ASP 522 2HB ASP 522 -0.109 8.957 -1.387
122 HB3 ASP 522 1HB ASP 522 0.790 10.467 -1.497
123 H GLU 523 H GLU 523 3.722 8.315 -0.639
124 HA GLU 523 HA GLU 523 5.308 10.643 -1.421
125 HB2 GLU 523 2HB GLU 523 5.226 9.934 1.470
126 HB3 GLU 523 1HB GLU 523 5.494 11.496 0.709
127 HG2 GLU 523 2HG GLU 523 2.972 11.194 0.006
128 HG3 GLU 523 1HG GLU 523 2.950 10.135 1.417
129 H GLY 524 H GLY 524 5.021 7.455 -0.152
130 HA2 GLY 524 2HA GLY 524 7.942 7.113 -0.272
131 HA3 GLY 524 1HA GLY 524 6.866 6.144 0.727
132 H ALA 525 H ALA 525 4.880 6.091 -1.547
133 HA ALA 525 HA ALA 525 6.228 3.990 -3.108
134 HB1 ALA 525 1HB ALA 525 4.295 3.323 -1.634
135 HB2 ALA 525 2HB ALA 525 4.134 2.883 -3.335
136 HB3 ALA 525 3HB ALA 525 3.257 4.275 -2.695
137 H ALA 526 H ALA 526 6.153 6.899 -3.591
138 HA ALA 526 HA ALA 526 5.211 6.789 -6.359
139 HB1 ALA 526 1HB ALA 526 4.247 9.088 -6.093
140 HB2 ALA 526 2HB ALA 526 4.419 8.875 -4.351
141 HB3 ALA 526 3HB ALA 526 3.364 7.801 -5.271
142 H ILE 527 H ILE 527 7.664 7.480 -4.274
143 HA ILE 527 HA ILE 527 9.072 9.032 -6.294
144 HB ILE 527 HB ILE 527 9.956 10.253 -3.993
145 HG12 ILE 527 2HG1 ILE 527 7.767 9.099 -3.028
146 HG13 ILE 527 1HG1 ILE 527 8.249 10.715 -2.522
147 HG21 ILE 527 1HG2 ILE 527 7.833 11.217 -5.904
148 HG22 ILE 527 2HG2 ILE 527 9.577 11.328 -6.138
149 HG23 ILE 527 3HG2 ILE 527 8.802 12.239 -4.842
150 HD11 ILE 527 3HD1 ILE 527 5.778 10.116 -3.269
151 HD12 ILE 527 1HD1 ILE 527 6.441 10.508 -4.857
152 HD13 ILE 527 2HD1 ILE 527 6.493 11.702 -3.560
153 H GLY 528 H GLY 528 9.193 7.312 -3.201
154 HA2 GLY 528 2HA GLY 528 12.024 7.023 -3.166
155 HA3 GLY 528 1HA GLY 528 10.879 6.116 -2.191
156 H LEU 529 H LEU 529 10.599 4.017 -2.644
157 HA LEU 529 HA LEU 529 11.308 3.067 -5.321
158 HB2 LEU 529 2HB LEU 529 12.919 2.712 -3.050
159 HB3 LEU 529 1HB LEU 529 12.170 1.158 -3.351
160 HG LEU 529 HG LEU 529 12.979 1.387 -5.753
161 HD11 LEU 529 1HD1 LEU 529 13.586 3.944 -4.977
162 HD12 LEU 529 2HD1 LEU 529 14.201 3.130 -6.416
163 HD13 LEU 529 3HD1 LEU 529 15.155 3.142 -4.933
164 HD21 LEU 529 3HD2 LEU 529 15.162 1.275 -3.686
165 HD22 LEU 529 1HD2 LEU 529 15.095 0.451 -5.243
166 HD23 LEU 529 2HD2 LEU 529 14.007 -0.033 -3.943
167 H ALA 530 H ALA 530 9.032 2.896 -5.590
168 HA ALA 530 HA ALA 530 7.834 0.569 -4.221
169 HB1 ALA 530 1HB ALA 530 6.770 3.207 -4.841
170 HB2 ALA 530 2HB ALA 530 6.184 1.988 -3.709
171 HB3 ALA 530 3HB ALA 530 5.739 1.895 -5.412
172 H TRP 531 H TRP 531 9.307 1.485 -6.936
173 HA TRP 531 HA TRP 531 7.638 -0.030 -8.806
174 HB2 TRP 531 2HB TRP 531 9.743 0.966 -10.272
175 HB3 TRP 531 1HB TRP 531 8.200 1.788 -10.059
176 HD1 TRP 531 HD TRP 531 11.715 1.715 -8.460
177 HE1 TRP 531 1HE TRP 531 12.156 4.009 -7.398
178 HE3 TRP 531 3HE TRP 531 7.176 3.903 -9.331
179 HZ2 TRP 531 2HZ TRP 531 10.773 6.442 -6.994
180 HZ3 TRP 531 3HZ TRP 531 6.815 6.215 -8.571
181 HH2 TRP 531 HH TRP 531 8.575 7.459 -7.423
182 H ILE 532 H ILE 532 9.445 -1.058 -6.596
183 HA ILE 532 HA ILE 532 10.833 -3.023 -8.252
184 HB ILE 532 HB ILE 532 12.941 -2.749 -7.329
185 HG12 ILE 532 2HG1 ILE 532 12.406 -2.688 -4.962
186 HG13 ILE 532 1HG1 ILE 532 13.451 -1.330 -5.355
187 HG21 ILE 532 1HG2 ILE 532 13.586 -0.569 -7.836
188 HG22 ILE 532 2HG2 ILE 532 12.059 0.111 -7.275
189 HG23 ILE 532 3HG2 ILE 532 12.112 -0.823 -8.770
190 HD11 ILE 532 3HD1 ILE 532 10.468 -1.195 -4.993
191 HD12 ILE 532 1HD1 ILE 532 11.527 0.160 -5.374
192 HD13 ILE 532 2HD1 ILE 532 11.683 -0.675 -3.829
193 HA PRO 533 HA PRO 533 8.745 -5.241 -4.899
194 HB2 PRO 533 2HB PRO 533 7.976 -7.362 -6.306
195 HB3 PRO 533 1HB PRO 533 7.203 -5.788 -6.525
196 HG2 PRO 533 2HG PRO 533 9.269 -7.136 -8.216
197 HG3 PRO 533 1HG PRO 533 7.843 -6.211 -8.717
198 HD2 PRO 533 2HD PRO 533 10.428 -5.212 -8.596
199 HD3 PRO 533 1HD PRO 533 8.955 -4.226 -8.587
200 H TYR 534 H TYR 534 10.574 -5.736 -3.615
201 HA TYR 534 HA TYR 534 11.410 -8.491 -3.834
202 HB2 TYR 534 2HB TYR 534 13.758 -6.812 -3.288
203 HB3 TYR 534 1HB TYR 534 13.622 -8.287 -4.231
204 HD1 TYR 534 2HD TYR 534 12.528 -8.018 -6.595
205 HD2 TYR 534 1HD TYR 534 14.189 -4.821 -4.335
206 HE1 TYR 534 2HE TYR 534 12.816 -6.716 -8.661
207 HE2 TYR 534 1HE TYR 534 14.490 -3.516 -6.386
208 HH TYR 534 HH TYR 534 14.755 -4.354 -9.084
209 H PHE 535 H PHE 535 12.195 -5.465 -2.138
210 HA PHE 535 HA PHE 535 12.325 -6.905 0.390
211 HB2 PHE 535 2HB PHE 535 13.222 -4.834 1.307
212 HB3 PHE 535 1HB PHE 535 14.085 -5.270 -0.164
213 HD1 PHE 535 2HD PHE 535 13.732 -3.994 -2.240
214 HD2 PHE 535 1HD PHE 535 11.915 -2.851 1.439
215 HE1 PHE 535 2HE PHE 535 13.264 -1.763 -3.164
216 HE2 PHE 535 1HE PHE 535 11.444 -0.619 0.518
217 HZ PHE 535 HZ PHE 535 12.119 -0.073 -1.787
218 H GLY 536 H GLY 536 9.763 -6.260 -1.147
219 HA2 GLY 536 2HA GLY 536 8.219 -4.313 0.007
220 HA3 GLY 536 1HA GLY 536 7.588 -5.869 -0.509
221 HA PRO 537 HA PRO 537 6.866 -7.123 3.657
222 HB2 PRO 537 2HB PRO 537 8.135 -9.485 4.042
223 HB3 PRO 537 1HB PRO 537 6.716 -9.321 3.001
224 HG2 PRO 537 2HG PRO 537 9.613 -9.424 2.252
225 HG3 PRO 537 1HG PRO 537 8.232 -10.233 1.490
226 HD2 PRO 537 2HD PRO 537 9.334 -7.966 0.493
227 HD3 PRO 537 1HD PRO 537 7.607 -8.344 0.329
228 H ALA 538 H ALA 538 10.026 -6.346 2.798
229 HA ALA 538 HA ALA 538 11.056 -6.631 5.524
230 HB1 ALA 538 1HB ALA 538 13.150 -5.650 4.123
231 HB2 ALA 538 2HB ALA 538 12.275 -6.500 2.849
232 HB3 ALA 538 3HB ALA 538 12.793 -7.369 4.294
233 H ALA 539 H ALA 539 10.071 -4.263 3.170
234 HA ALA 539 HA ALA 539 11.193 -2.024 4.599
235 HB1 ALA 539 1HB ALA 539 9.788 -2.461 2.068
236 HB2 ALA 539 2HB ALA 539 11.087 -1.336 2.465
237 HB3 ALA 539 3HB ALA 539 9.416 -0.930 2.861
238 H GLU 540 H GLU 540 8.365 -3.892 4.726
239 HA GLU 540 HA GLU 540 6.270 -2.375 5.371
240 HB2 GLU 540 2HB GLU 540 5.425 -4.177 6.642
241 HB3 GLU 540 1HB GLU 540 6.468 -4.875 5.407
242 HG2 GLU 540 2HG GLU 540 7.408 -6.023 7.050
243 HG3 GLU 540 1HG GLU 540 8.178 -4.507 7.516
244 H GLY 541 H GLY 541 6.229 -0.539 6.455
245 HA2 GLY 541 2HA GLY 541 5.863 0.499 8.561
246 HA3 GLY 541 1HA GLY 541 7.046 -0.582 9.268
247 H ILE 542 H ILE 542 8.589 0.320 6.585
248 HA ILE 542 HA ILE 542 9.878 2.551 7.988
249 HB ILE 542 HB ILE 542 10.981 1.089 5.601
250 HG12 ILE 542 2HG1 ILE 542 12.174 0.413 8.171
251 HG13 ILE 542 1HG1 ILE 542 10.479 -0.059 8.084
252 HG21 ILE 542 1HG2 ILE 542 13.141 1.901 6.747
253 HG22 ILE 542 2HG2 ILE 542 12.080 2.999 7.630
254 HG23 ILE 542 3HG2 ILE 542 12.160 3.075 5.870
255 HD11 ILE 542 3HD1 ILE 542 11.992 -0.734 5.699
256 HD12 ILE 542 1HD1 ILE 542 10.901 -1.717 6.673
257 HD13 ILE 542 2HD1 ILE 542 12.584 -1.521 7.164
258 H TYR 543 H TYR 543 8.294 1.707 4.971
259 HA TYR 543 HA TYR 543 7.475 4.290 4.401
260 HB2 TYR 543 2HB TYR 543 9.115 4.566 2.310
261 HB3 TYR 543 1HB TYR 543 9.484 5.235 3.894
262 HD1 TYR 543 2HD TYR 543 9.720 1.639 3.046
263 HD2 TYR 543 1HD TYR 543 11.851 5.267 3.683
264 HE1 TYR 543 2HE TYR 543 11.834 0.385 3.084
265 HE2 TYR 543 1HE TYR 543 13.970 4.022 3.720
266 HH TYR 543 HH TYR 543 14.134 0.678 4.019
267 H ILE 544 H ILE 544 8.926 2.835 1.612
268 HA ILE 544 HA ILE 544 6.577 2.564 0.198
269 HB ILE 544 HB ILE 544 8.984 0.800 -0.223
270 HG12 ILE 544 2HG1 ILE 544 9.033 3.135 -1.873
271 HG13 ILE 544 1HG1 ILE 544 8.874 3.646 -0.195
272 HG21 ILE 544 1HG2 ILE 544 7.964 0.159 -2.084
273 HG22 ILE 544 2HG2 ILE 544 7.781 1.835 -2.599
274 HG23 ILE 544 3HG2 ILE 544 6.542 1.082 -1.596
275 HD11 ILE 544 3HD1 ILE 544 11.174 3.571 -0.627
276 HD12 ILE 544 1HD1 ILE 544 11.056 2.011 -1.441
277 HD13 ILE 544 2HD1 ILE 544 10.826 2.114 0.304
278 H GLU 545 H GLU 545 8.452 -0.250 1.290
279 HA GLU 545 HA GLU 545 7.840 -2.272 2.125
280 HB2 GLU 545 2HB GLU 545 5.025 -1.361 2.558
281 HB3 GLU 545 1HB GLU 545 6.010 -2.448 3.527
282 HG2 GLU 545 2HG GLU 545 6.942 -0.765 4.720
283 HG3 GLU 545 1HG GLU 545 6.929 0.357 3.368
284 H GLY 546 H GLY 546 6.210 -4.099 1.772
285 HA2 GLY 546 2HA GLY 546 5.861 -4.399 -1.054
286 HA3 GLY 546 1HA GLY 546 5.412 -5.568 0.181
287 H LEU 547 H LEU 547 4.414 -2.420 -1.116
288 HA LEU 547 HA LEU 547 1.624 -3.325 -0.986
289 HB2 LEU 547 2HB LEU 547 0.997 -1.023 -0.230
290 HB3 LEU 547 1HB LEU 547 1.867 -1.974 0.962
291 HG LEU 547 HG LEU 547 3.970 -0.767 0.136
292 HD11 LEU 547 1HD1 LEU 547 3.336 1.582 -0.703
293 HD12 LEU 547 2HD1 LEU 547 1.816 0.830 -1.195
294 HD13 LEU 547 3HD1 LEU 547 3.342 0.245 -1.856
295 HD21 LEU 547 3HD2 LEU 547 2.868 1.428 1.371
296 HD22 LEU 547 1HD2 LEU 547 3.600 0.042 2.180
297 HD23 LEU 547 2HD2 LEU 547 1.853 0.101 1.936
298 H MET 548 H MET 548 3.262 -3.296 -3.265
299 HA MET 548 HA MET 548 3.020 -0.921 -4.778
300 HB2 MET 548 2HB MET 548 3.135 -3.606 -6.071
301 HB3 MET 548 1HB MET 548 3.886 -2.101 -6.567
302 HG2 MET 548 2HG MET 548 5.777 -2.760 -5.632
303 HG3 MET 548 1HG MET 548 4.983 -2.755 -4.059
304 HE1 MET 548 3HE MET 548 4.766 -4.431 -2.676
305 HE2 MET 548 1HE MET 548 5.010 -6.161 -2.923
306 HE3 MET 548 2HE MET 548 3.463 -5.420 -3.334
307 H HIS 549 H HIS 549 0.515 -1.667 -3.576
308 HA HIS 549 HA HIS 549 -1.120 -2.130 -5.979
309 HB2 HIS 549 2HB HIS 549 -2.206 -2.456 -3.204
310 HB3 HIS 549 1HB HIS 549 -2.712 -3.241 -4.698
311 HD1 HIS 549 1HD HIS 549 -0.574 -4.841 -5.688
312 HD2 HIS 549 2HD HIS 549 -0.914 -4.200 -1.599
313 HE1 HIS 549 1HE HIS 549 0.755 -6.677 -4.607
314 HE2 HIS 549 2HE HIS 549 0.445 -6.334 -2.131
315 H ASN 550 H ASN 550 -0.120 0.106 -3.690
316 HA ASN 550 HA ASN 550 -0.666 2.270 -3.252
317 HB2 ASN 550 2HB ASN 550 -2.108 1.785 -5.832
318 HB3 ASN 550 1HB ASN 550 -2.388 3.288 -4.962
319 HD21 ASN 550 1HD2 ASN 550 0.684 1.620 -4.873
320 HD22 ASN 550 2HD2 ASN 550 1.558 2.781 -5.801
321 H GLN 551 H GLN 551 -3.244 -0.063 -3.475
322 HA GLN 551 HA GLN 551 -5.017 -0.415 -2.121
323 HB2 GLN 551 2HB GLN 551 -4.420 2.198 -0.748
324 HB3 GLN 551 1HB GLN 551 -5.379 0.854 -0.147
325 HG2 GLN 551 2HG GLN 551 -3.282 -0.532 -0.257
326 HG3 GLN 551 1HG GLN 551 -2.410 0.976 -0.516
327 HE21 GLN 551 1HE2 GLN 551 -3.481 -1.178 1.761
328 HE22 GLN 551 2HE2 GLN 551 -3.362 -0.180 3.167
329 H ASP 552 H ASP 552 -6.961 -0.252 -2.844
330 HA ASP 552 HA ASP 552 -8.204 2.300 -3.392
331 HB2 ASP 552 2HB ASP 552 -6.868 1.237 -5.483
332 HB3 ASP 552 1HB ASP 552 -8.427 0.442 -5.686
333 H GLY 553 H GLY 553 -9.083 0.825 -1.422
334 HA2 GLY 553 2HA GLY 553 -11.086 0.011 -0.622
335 HA3 GLY 553 1HA GLY 553 -11.710 0.054 -2.262
336 H LEU 554 H LEU 554 -8.991 -1.724 -0.816
337 HA LEU 554 HA LEU 554 -10.193 -4.206 -1.850
338 HB2 LEU 554 2HB LEU 554 -7.319 -3.879 -1.044
339 HB3 LEU 554 1HB LEU 554 -8.029 -5.116 -2.063
340 HG LEU 554 HG LEU 554 -7.609 -2.219 -2.792
341 HD11 LEU 554 1HD1 LEU 554 -6.117 -4.712 -3.238
342 HD12 LEU 554 2HD1 LEU 554 -5.559 -3.040 -3.214
343 HD13 LEU 554 3HD1 LEU 554 -6.332 -3.691 -4.659
344 HD21 LEU 554 3HD2 LEU 554 -8.343 -3.114 -5.082
345 HD22 LEU 554 1HD2 LEU 554 -9.594 -2.787 -3.881
346 HD23 LEU 554 2HD2 LEU 554 -9.067 -4.444 -4.176
347 H ILE 555 H ILE 555 -9.185 -2.536 0.970
348 HA ILE 555 HA ILE 555 -9.442 -4.971 2.591
349 HB ILE 555 HB ILE 555 -8.235 -2.356 3.473
350 HG12 ILE 555 2HG1 ILE 555 -6.282 -4.424 3.087
351 HG13 ILE 555 1HG1 ILE 555 -7.181 -4.201 1.589
352 HG21 ILE 555 1HG2 ILE 555 -7.074 -4.295 4.943
353 HG22 ILE 555 2HG2 ILE 555 -8.669 -4.998 4.678
354 HG23 ILE 555 3HG2 ILE 555 -8.519 -3.411 5.434
355 HD11 ILE 555 3HD1 ILE 555 -5.020 -2.768 2.283
356 HD12 ILE 555 1HD1 ILE 555 -6.301 -1.734 2.915
357 HD13 ILE 555 2HD1 ILE 555 -6.290 -2.179 1.208
358 H CYS 556 H CYS 556 -10.800 -1.868 1.936
359 HA CYS 556 HA CYS 556 -12.408 -1.828 4.342
360 HB2 CYS 556 2HB CYS 556 -11.400 0.208 3.011
361 HB3 CYS 556 1HB CYS 556 -12.852 0.032 2.038
362 H GLY 557 H GLY 557 -12.708 -4.022 2.467
363 HA2 GLY 557 2HA GLY 557 -15.345 -4.570 2.593
364 HA3 GLY 557 1HA GLY 557 -15.187 -3.662 1.091
365 H LEU 558 H LEU 558 -15.080 -4.947 -0.574
366 HA LEU 558 HA LEU 558 -13.137 -7.073 -0.659
367 HB2 LEU 558 2HB LEU 558 -15.753 -8.041 -1.572
368 HB3 LEU 558 1HB LEU 558 -14.486 -8.876 -0.695
369 HG LEU 558 HG LEU 558 -16.243 -6.890 0.710
370 HD11 LEU 558 1HD1 LEU 558 -16.881 -9.815 0.419
371 HD12 LEU 558 2HD1 LEU 558 -17.663 -8.539 -0.516
372 HD13 LEU 558 3HD1 LEU 558 -17.832 -8.576 1.239
373 HD21 LEU 558 3HD2 LEU 558 -14.073 -8.501 1.462
374 HD22 LEU 558 1HD2 LEU 558 -15.503 -9.253 2.167
375 HD23 LEU 558 2HD2 LEU 558 -15.133 -7.563 2.514
376 H ARG 559 H ARG 559 -15.760 -5.325 -2.234
377 HA ARG 559 HA ARG 559 -14.197 -5.326 -4.710
378 HB2 ARG 559 2HB ARG 559 -16.472 -5.517 -5.921
379 HB3 ARG 559 1HB ARG 559 -15.738 -6.981 -5.281
380 HG2 ARG 559 2HG ARG 559 -17.327 -7.249 -3.681
381 HG3 ARG 559 1HG ARG 559 -17.620 -5.516 -3.524
382 HD2 ARG 559 2HD ARG 559 -18.487 -5.874 -6.027
383 HD3 ARG 559 1HD ARG 559 -18.802 -7.487 -5.387
384 HE ARG 559 HE ARG 559 -20.500 -6.619 -4.116
385 HH11 ARG 559 1HH1 ARG 559 -18.538 -4.001 -5.333
386 HH12 ARG 559 2HH1 ARG 559 -19.632 -2.769 -4.799
387 HH21 ARG 559 1HH2 ARG 559 -21.938 -4.999 -3.415
388 HH22 ARG 559 2HH2 ARG 559 -21.562 -3.335 -3.710
389 H GLN 560 H GLN 560 -14.259 -3.289 -2.872
390 HA GLN 560 HA GLN 560 -16.148 -1.327 -2.975
391 HB2 GLN 560 2HB GLN 560 -13.147 -0.982 -3.024
392 HB3 GLN 560 1HB GLN 560 -14.280 0.316 -2.687
393 HG2 GLN 560 2HG GLN 560 -13.548 -2.043 -1.014
394 HG3 GLN 560 1HG GLN 560 -13.623 -0.335 -0.577
395 HE21 GLN 560 1HE2 GLN 560 -15.531 -3.195 -1.270
396 HE22 GLN 560 2HE2 GLN 560 -16.945 -2.697 -0.415
Start of MODEL 20
1 H1 ALA 507 1HT ALA 507 -10.225 -10.294 -1.493
2 H2 ALA 507 2HT ALA 507 -11.471 -11.314 -2.088
3 H3 ALA 507 3HT ALA 507 -10.425 -11.867 -0.844
4 HA ALA 507 HA ALA 507 -12.123 -9.502 -0.528
5 HB1 ALA 507 2HB ALA 507 -12.974 -12.123 0.577
6 HB2 ALA 507 3HB ALA 507 -13.277 -11.805 -1.131
7 HB3 ALA 507 1HB ALA 507 -13.939 -10.727 0.097
8 H GLN 508 H GLN 508 -12.155 -8.757 1.574
9 HA GLN 508 HA GLN 508 -11.168 -10.124 3.813
10 HB2 GLN 508 2HB GLN 508 -9.058 -8.715 4.098
11 HB3 GLN 508 1HB GLN 508 -8.985 -10.045 2.951
12 HG2 GLN 508 2HG GLN 508 -9.501 -8.365 1.147
13 HG3 GLN 508 1HG GLN 508 -9.238 -7.112 2.359
14 HE21 GLN 508 1HE2 GLN 508 -7.109 -7.668 3.680
15 HE22 GLN 508 2HE2 GLN 508 -5.725 -7.930 2.682
16 HA PRO 509 HA PRO 509 -13.189 -6.393 5.281
17 HB2 PRO 509 2HB PRO 509 -14.155 -7.354 7.509
18 HB3 PRO 509 1HB PRO 509 -14.654 -8.111 5.985
19 HG2 PRO 509 2HG PRO 509 -12.536 -8.985 7.917
20 HG3 PRO 509 1HG PRO 509 -13.831 -9.958 7.191
21 HD2 PRO 509 2HD PRO 509 -11.238 -9.810 6.225
22 HD3 PRO 509 1HD PRO 509 -12.646 -10.261 5.243
23 H LYS 510 H LYS 510 -11.851 -4.816 5.890
24 HA LYS 510 HA LYS 510 -10.731 -4.843 8.555
25 HB2 LYS 510 2HB LYS 510 -9.068 -4.945 6.106
26 HB3 LYS 510 1HB LYS 510 -8.542 -3.851 7.378
27 HG2 LYS 510 2HG LYS 510 -8.089 -5.552 8.845
28 HG3 LYS 510 1HG LYS 510 -9.240 -6.654 8.086
29 HD2 LYS 510 2HD LYS 510 -7.032 -5.825 6.348
30 HD3 LYS 510 1HD LYS 510 -6.532 -6.751 7.764
31 HE2 LYS 510 2HE LYS 510 -8.643 -8.216 6.954
32 HE3 LYS 510 1HE LYS 510 -8.094 -7.580 5.404
33 HZ1 LYS 510 3HZ LYS 510 -6.832 -9.505 7.167
34 HZ2 LYS 510 1HZ LYS 510 -5.786 -8.367 6.477
35 HZ3 LYS 510 2HZ LYS 510 -6.738 -9.352 5.486
36 H CYS 511 H CYS 511 -10.822 -3.072 5.535
37 HA CYS 511 HA CYS 511 -11.509 -0.984 5.015
38 HB2 CYS 511 2HB CYS 511 -12.678 -1.336 7.638
39 HB3 CYS 511 1HB CYS 511 -12.237 0.341 7.341
40 H ASN 512 H ASN 512 -8.891 -1.477 5.338
41 HA ASN 512 HA ASN 512 -7.965 1.149 6.236
42 HB2 ASN 512 2HB ASN 512 -7.297 -0.453 7.957
43 HB3 ASN 512 1HB ASN 512 -6.533 -1.467 6.740
44 HD21 ASN 512 1HD2 ASN 512 -6.229 1.936 6.301
45 HD22 ASN 512 2HD2 ASN 512 -4.596 2.072 6.839
46 HA PRO 513 HA PRO 513 -6.221 -0.265 2.062
47 HB2 PRO 513 2HB PRO 513 -8.081 0.234 0.243
48 HB3 PRO 513 1HB PRO 513 -8.174 -1.225 1.230
49 HG2 PRO 513 2HG PRO 513 -9.645 1.368 1.559
50 HG3 PRO 513 1HG PRO 513 -10.268 -0.287 1.662
51 HD2 PRO 513 2HD PRO 513 -9.559 1.243 3.843
52 HD3 PRO 513 1HD PRO 513 -9.599 -0.529 3.825
53 H ASN 514 H ASN 514 -8.259 2.005 0.515
54 HA ASN 514 HA ASN 514 -6.092 3.846 0.253
55 HB2 ASN 514 2HB ASN 514 -7.416 4.941 -1.389
56 HB3 ASN 514 1HB ASN 514 -7.696 3.214 -1.583
57 HD21 ASN 514 1HD2 ASN 514 -9.720 2.815 -2.067
58 HD22 ASN 514 2HD2 ASN 514 -11.107 3.621 -1.428
59 H LEU 515 H LEU 515 -8.062 3.463 2.769
60 HA LEU 515 HA LEU 515 -8.561 6.315 3.191
61 HB2 LEU 515 2HB LEU 515 -9.498 3.917 4.772
62 HB3 LEU 515 1HB LEU 515 -9.943 5.585 5.092
63 HG LEU 515 HG LEU 515 -11.785 4.671 3.947
64 HD11 LEU 515 1HD1 LEU 515 -11.188 6.848 3.091
65 HD12 LEU 515 2HD1 LEU 515 -11.796 5.844 1.773
66 HD13 LEU 515 3HD1 LEU 515 -10.061 6.125 1.942
67 HD21 LEU 515 3HD2 LEU 515 -10.534 3.762 1.494
68 HD22 LEU 515 1HD2 LEU 515 -11.678 2.934 2.550
69 HD23 LEU 515 2HD2 LEU 515 -9.950 2.874 2.899
70 H HIS 516 H HIS 516 -5.956 5.641 3.170
71 HA HIS 516 HA HIS 516 -4.880 6.745 5.432
72 HB2 HIS 516 2HB HIS 516 -5.696 4.083 5.980
73 HB3 HIS 516 1HB HIS 516 -3.937 4.074 5.906
74 HD1 HIS 516 1HD HIS 516 -5.788 3.762 8.513
75 HD2 HIS 516 2HD HIS 516 -3.664 7.135 7.339
76 HE1 HIS 516 1HE HIS 516 -5.422 5.091 10.616
77 HE2 HIS 516 2HE HIS 516 -4.207 7.168 9.868
78 H TYR 517 H TYR 517 -4.547 4.440 2.842
79 HA TYR 517 HA TYR 517 -1.903 4.011 2.525
80 HB2 TYR 517 2HB TYR 517 -2.307 3.647 0.232
81 HB3 TYR 517 1HB TYR 517 -3.855 3.349 1.007
82 HD1 TYR 517 1HD TYR 517 -5.256 5.712 1.256
83 HD2 TYR 517 2HD TYR 517 -2.464 4.729 -1.795
84 HE1 TYR 517 1HE TYR 517 -6.347 7.324 -0.247
85 HE2 TYR 517 2HE TYR 517 -3.539 6.342 -3.307
86 HH TYR 517 HH TYR 517 -6.535 7.597 -2.829
87 H TRP 518 H TRP 518 -3.568 7.018 1.722
88 HA TRP 518 HA TRP 518 -1.381 8.355 0.539
89 HB2 TRP 518 2HB TRP 518 -2.759 10.431 1.227
90 HB3 TRP 518 1HB TRP 518 -3.503 9.287 0.111
91 HD1 TRP 518 HD TRP 518 -3.393 8.377 3.800
92 HE1 TRP 518 1HE TRP 518 -5.773 8.440 4.755
93 HE3 TRP 518 3HE TRP 518 -5.797 10.473 -0.187
94 HZ2 TRP 518 2HZ TRP 518 -8.346 9.279 3.929
95 HZ3 TRP 518 3HZ TRP 518 -8.222 10.874 -0.028
96 HH2 TRP 518 HH TRP 518 -9.468 10.286 1.989
97 H THR 519 H THR 519 0.373 7.831 1.998
98 HA THR 519 HA THR 519 0.878 9.882 3.901
99 HB THR 519 HB THR 519 -0.596 8.666 5.319
100 HG1 THR 519 1HG THR 519 0.826 8.939 6.819
101 HG21 THR 519 3HG2 THR 519 -0.201 6.476 3.916
102 HG22 THR 519 1HG2 THR 519 -0.762 6.428 5.590
103 HG23 THR 519 2HG2 THR 519 0.940 6.144 5.222
104 H THR 520 H THR 520 1.660 6.480 3.311
105 HA THR 520 HA THR 520 4.495 7.225 3.093
106 HB THR 520 HB THR 520 3.898 5.877 5.144
107 HG1 THR 520 1HG THR 520 5.668 4.534 4.902
108 HG21 THR 520 3HG2 THR 520 2.689 4.038 5.017
109 HG22 THR 520 1HG2 THR 520 3.901 3.306 3.965
110 HG23 THR 520 2HG2 THR 520 2.566 4.226 3.269
111 H GLN 521 H GLN 521 1.765 5.994 1.575
112 HA GLN 521 HA GLN 521 3.247 4.385 -0.315
113 HB2 GLN 521 2HB GLN 521 1.270 3.373 -0.872
114 HB3 GLN 521 1HB GLN 521 0.857 3.911 0.750
115 HG2 GLN 521 2HG GLN 521 -0.982 4.540 -0.474
116 HG3 GLN 521 1HG GLN 521 -0.036 6.024 -0.429
117 HE21 GLN 521 1HE2 GLN 521 -0.395 7.016 -2.273
118 HE22 GLN 521 2HE2 GLN 521 -0.269 6.312 -3.846
119 H ASP 522 H ASP 522 1.440 7.331 -0.102
120 HA ASP 522 HA ASP 522 1.822 7.974 -2.905
121 HB2 ASP 522 2HB ASP 522 -0.147 8.597 -1.103
122 HB3 ASP 522 1HB ASP 522 0.788 10.087 -1.158
123 H GLU 523 H GLU 523 3.772 8.003 -0.395
124 HA GLU 523 HA GLU 523 5.313 10.292 -1.369
125 HB2 GLU 523 2HB GLU 523 5.376 9.700 1.551
126 HB3 GLU 523 1HB GLU 523 5.617 11.228 0.714
127 HG2 GLU 523 2HG GLU 523 3.070 10.926 0.136
128 HG3 GLU 523 1HG GLU 523 3.097 9.912 1.581
129 H GLY 524 H GLY 524 5.096 7.158 0.033
130 HA2 GLY 524 2HA GLY 524 8.006 6.800 -0.251
131 HA3 GLY 524 1HA GLY 524 7.006 5.899 0.880
132 H ALA 525 H ALA 525 4.854 5.694 -1.205
133 HA ALA 525 HA ALA 525 6.070 3.496 -2.737
134 HB1 ALA 525 1HB ALA 525 3.950 2.411 -2.735
135 HB2 ALA 525 2HB ALA 525 3.140 3.857 -2.123
136 HB3 ALA 525 3HB ALA 525 4.244 2.957 -1.083
137 H ALA 526 H ALA 526 5.999 6.365 -3.415
138 HA ALA 526 HA ALA 526 4.826 6.087 -6.081
139 HB1 ALA 526 1HB ALA 526 4.216 8.311 -4.158
140 HB2 ALA 526 2HB ALA 526 3.083 7.191 -4.917
141 HB3 ALA 526 3HB ALA 526 3.900 8.413 -5.890
142 H ILE 527 H ILE 527 7.452 6.923 -4.244
143 HA ILE 527 HA ILE 527 8.612 8.432 -6.473
144 HB ILE 527 HB ILE 527 9.864 9.445 -4.178
145 HG12 ILE 527 2HG1 ILE 527 7.656 8.519 -3.098
146 HG13 ILE 527 1HG1 ILE 527 8.252 10.111 -2.652
147 HG21 ILE 527 1HG2 ILE 527 8.177 10.438 -6.374
148 HG22 ILE 527 2HG2 ILE 527 9.752 10.990 -5.806
149 HG23 ILE 527 3HG2 ILE 527 8.286 11.484 -4.959
150 HD11 ILE 527 3HD1 ILE 527 6.561 11.198 -3.769
151 HD12 ILE 527 1HD1 ILE 527 5.737 9.752 -3.184
152 HD13 ILE 527 2HD1 ILE 527 6.270 9.846 -4.863
153 H GLY 528 H GLY 528 9.180 6.538 -3.534
154 HA2 GLY 528 2HA GLY 528 11.968 6.210 -3.923
155 HA3 GLY 528 1HA GLY 528 10.948 5.220 -2.892
156 H LEU 529 H LEU 529 11.041 3.148 -3.399
157 HA LEU 529 HA LEU 529 11.146 2.407 -6.244
158 HB2 LEU 529 2HB LEU 529 12.575 0.844 -4.114
159 HB3 LEU 529 1HB LEU 529 12.761 0.734 -5.854
160 HG LEU 529 HG LEU 529 13.673 3.024 -4.109
161 HD11 LEU 529 1HD1 LEU 529 15.841 2.255 -4.379
162 HD12 LEU 529 2HD1 LEU 529 15.420 1.245 -5.761
163 HD13 LEU 529 3HD1 LEU 529 14.927 0.766 -4.137
164 HD21 LEU 529 3HD2 LEU 529 14.570 2.847 -6.901
165 HD22 LEU 529 1HD2 LEU 529 14.115 4.252 -5.940
166 HD23 LEU 529 2HD2 LEU 529 12.868 3.255 -6.687
167 H ALA 530 H ALA 530 8.741 2.513 -5.157
168 HA ALA 530 HA ALA 530 8.021 -0.042 -3.983
169 HB1 ALA 530 1HB ALA 530 6.765 1.673 -3.056
170 HB2 ALA 530 2HB ALA 530 5.662 0.968 -4.239
171 HB3 ALA 530 3HB ALA 530 6.518 2.463 -4.614
172 H TRP 531 H TRP 531 8.748 0.905 -6.978
173 HA TRP 531 HA TRP 531 6.678 -0.649 -8.346
174 HB2 TRP 531 2HB TRP 531 8.316 0.305 -10.325
175 HB3 TRP 531 1HB TRP 531 6.893 1.149 -9.724
176 HD1 TRP 531 HD TRP 531 10.702 1.051 -9.066
177 HE1 TRP 531 1HE TRP 531 11.430 3.380 -8.273
178 HE3 TRP 531 3HE TRP 531 6.125 3.320 -8.897
179 HZ2 TRP 531 2HZ TRP 531 10.230 5.865 -7.663
180 HZ3 TRP 531 3HZ TRP 531 6.001 5.675 -8.193
181 HH2 TRP 531 HH TRP 531 8.012 6.921 -7.585
182 H ILE 532 H ILE 532 9.035 -1.619 -6.653
183 HA ILE 532 HA ILE 532 9.928 -3.630 -8.578
184 HB ILE 532 HB ILE 532 12.212 -3.376 -8.222
185 HG12 ILE 532 2HG1 ILE 532 11.545 -1.660 -5.818
186 HG13 ILE 532 1HG1 ILE 532 12.265 -3.266 -5.803
187 HG21 ILE 532 1HG2 ILE 532 11.489 -0.486 -7.983
188 HG22 ILE 532 2HG2 ILE 532 10.982 -1.413 -9.398
189 HG23 ILE 532 3HG2 ILE 532 12.696 -1.262 -9.011
190 HD11 ILE 532 3HD1 ILE 532 14.328 -2.489 -6.254
191 HD12 ILE 532 1HD1 ILE 532 13.676 -1.009 -5.554
192 HD13 ILE 532 2HD1 ILE 532 13.739 -1.202 -7.304
193 HA PRO 533 HA PRO 533 9.080 -6.019 -4.862
194 HB2 PRO 533 2HB PRO 533 8.846 -8.407 -6.031
195 HB3 PRO 533 1HB PRO 533 7.618 -7.158 -6.275
196 HG2 PRO 533 2HG PRO 533 9.811 -8.043 -8.096
197 HG3 PRO 533 1HG PRO 533 8.154 -7.555 -8.488
198 HD2 PRO 533 2HD PRO 533 10.418 -5.936 -8.690
199 HD3 PRO 533 1HD PRO 533 8.739 -5.366 -8.661
200 H TYR 534 H TYR 534 11.577 -5.251 -4.779
201 HA TYR 534 HA TYR 534 13.288 -7.631 -4.947
202 HB2 TYR 534 2HB TYR 534 14.584 -6.158 -6.050
203 HB3 TYR 534 1HB TYR 534 13.660 -4.786 -5.460
204 HD1 TYR 534 1HD TYR 534 15.946 -7.291 -3.842
205 HD2 TYR 534 2HD TYR 534 14.995 -3.202 -4.520
206 HE1 TYR 534 1HE TYR 534 17.829 -6.619 -2.408
207 HE2 TYR 534 2HE TYR 534 16.861 -2.515 -3.089
208 HH TYR 534 HH TYR 534 19.220 -3.793 -2.402
209 H PHE 535 H PHE 535 12.373 -4.986 -2.768
210 HA PHE 535 HA PHE 535 13.447 -6.593 -0.544
211 HB2 PHE 535 2HB PHE 535 13.781 -4.441 0.675
212 HB3 PHE 535 1HB PHE 535 14.794 -4.613 -0.750
213 HD1 PHE 535 2HD PHE 535 13.713 -3.593 -2.949
214 HD2 PHE 535 1HD PHE 535 12.735 -2.431 1.019
215 HE1 PHE 535 2HE PHE 535 12.933 -1.425 -3.794
216 HE2 PHE 535 1HE PHE 535 11.940 -0.256 0.188
217 HZ PHE 535 HZ PHE 535 12.038 0.251 -2.219
218 H GLY 536 H GLY 536 10.916 -4.379 -1.591
219 HA2 GLY 536 2HA GLY 536 8.903 -3.801 -0.566
220 HA3 GLY 536 1HA GLY 536 8.702 -5.540 -0.677
221 HA PRO 537 HA PRO 537 8.001 -5.763 3.676
222 HB2 PRO 537 2HB PRO 537 9.270 -8.165 4.209
223 HB3 PRO 537 1HB PRO 537 7.626 -7.997 3.588
224 HG2 PRO 537 2HG PRO 537 10.165 -8.545 2.107
225 HG3 PRO 537 1HG PRO 537 8.554 -9.251 1.874
226 HD2 PRO 537 2HD PRO 537 9.475 -7.354 0.235
227 HD3 PRO 537 1HD PRO 537 7.769 -7.385 0.728
228 H ALA 538 H ALA 538 11.061 -5.294 2.417
229 HA ALA 538 HA ALA 538 12.608 -5.640 4.791
230 HB1 ALA 538 1HB ALA 538 14.433 -5.041 3.543
231 HB2 ALA 538 2HB ALA 538 13.528 -3.878 2.576
232 HB3 ALA 538 3HB ALA 538 13.351 -5.605 2.269
233 H ALA 539 H ALA 539 10.910 -2.989 3.229
234 HA ALA 539 HA ALA 539 11.974 -0.973 4.965
235 HB1 ALA 539 1HB ALA 539 10.819 0.508 3.691
236 HB2 ALA 539 2HB ALA 539 9.375 -0.506 3.648
237 HB3 ALA 539 3HB ALA 539 10.731 -0.855 2.575
238 H GLU 540 H GLU 540 9.134 -2.947 4.706
239 HA GLU 540 HA GLU 540 7.274 -3.168 6.031
240 HB2 GLU 540 2HB GLU 540 7.877 -4.436 7.935
241 HB3 GLU 540 1HB GLU 540 9.083 -4.731 6.687
242 HG2 GLU 540 2HG GLU 540 10.678 -3.364 7.780
243 HG3 GLU 540 1HG GLU 540 9.474 -2.747 8.910
244 H GLY 541 H GLY 541 7.936 -0.344 5.996
245 HA2 GLY 541 2HA GLY 541 6.247 0.873 7.544
246 HA3 GLY 541 1HA GLY 541 7.399 0.425 8.784
247 H ILE 542 H ILE 542 9.026 1.172 5.919
248 HA ILE 542 HA ILE 542 9.652 3.823 7.011
249 HB ILE 542 HB ILE 542 11.192 2.351 4.886
250 HG12 ILE 542 2HG1 ILE 542 12.309 2.473 7.606
251 HG13 ILE 542 1HG1 ILE 542 10.894 1.437 7.440
252 HG21 ILE 542 1HG2 ILE 542 11.667 4.797 6.541
253 HG22 ILE 542 2HG2 ILE 542 11.824 4.581 4.797
254 HG23 ILE 542 3HG2 ILE 542 13.021 3.878 5.885
255 HD11 ILE 542 3HD1 ILE 542 13.607 0.985 6.611
256 HD12 ILE 542 1HD1 ILE 542 12.484 0.814 5.261
257 HD13 ILE 542 2HD1 ILE 542 12.255 -0.144 6.724
258 H TYR 543 H TYR 543 8.638 2.174 4.072
259 HA TYR 543 HA TYR 543 7.270 4.474 3.128
260 HB2 TYR 543 2HB TYR 543 8.838 4.229 0.886
261 HB3 TYR 543 1HB TYR 543 8.961 5.512 2.081
262 HD1 TYR 543 1HD TYR 543 10.069 1.952 2.360
263 HD2 TYR 543 2HD TYR 543 11.224 6.040 2.108
264 HE1 TYR 543 1HE TYR 543 12.403 1.313 2.787
265 HE2 TYR 543 2HE TYR 543 13.560 5.411 2.538
266 HH TYR 543 HH TYR 543 14.838 2.677 2.111
267 H ILE 544 H ILE 544 8.904 2.242 0.959
268 HA ILE 544 HA ILE 544 6.540 1.433 -0.314
269 HB ILE 544 HB ILE 544 9.210 0.028 -0.259
270 HG12 ILE 544 2HG1 ILE 544 9.020 1.349 -2.655
271 HG13 ILE 544 1HG1 ILE 544 8.247 2.483 -1.551
272 HG21 ILE 544 1HG2 ILE 544 8.531 -0.990 -2.345
273 HG22 ILE 544 2HG2 ILE 544 6.990 -0.134 -2.292
274 HG23 ILE 544 3HG2 ILE 544 7.356 -1.366 -1.085
275 HD11 ILE 544 3HD1 ILE 544 11.033 1.894 -1.915
276 HD12 ILE 544 1HD1 ILE 544 10.553 1.647 -0.237
277 HD13 ILE 544 2HD1 ILE 544 10.264 3.203 -1.016
278 H GLU 545 H GLU 545 8.676 -0.447 1.823
279 HA GLU 545 HA GLU 545 8.313 -2.281 3.108
280 HB2 GLU 545 2HB GLU 545 5.432 -1.764 3.471
281 HB3 GLU 545 1HB GLU 545 6.696 -2.015 4.664
282 HG2 GLU 545 2HG GLU 545 7.460 0.312 4.270
283 HG3 GLU 545 1HG GLU 545 6.081 0.535 3.196
284 H GLY 546 H GLY 546 5.633 -3.650 3.319
285 HA2 GLY 546 2HA GLY 546 5.939 -5.262 0.906
286 HA3 GLY 546 1HA GLY 546 5.037 -5.710 2.345
287 H LEU 547 H LEU 547 4.602 -2.588 0.957
288 HA LEU 547 HA LEU 547 1.928 -3.389 0.046
289 HB2 LEU 547 2HB LEU 547 1.161 -1.249 0.583
290 HB3 LEU 547 1HB LEU 547 2.262 -1.637 1.898
291 HG LEU 547 HG LEU 547 3.959 -0.445 0.205
292 HD11 LEU 547 1HD1 LEU 547 1.455 1.167 -0.137
293 HD12 LEU 547 2HD1 LEU 547 2.010 -0.004 -1.336
294 HD13 LEU 547 3HD1 LEU 547 3.018 1.383 -0.924
295 HD21 LEU 547 3HD2 LEU 547 2.556 0.271 2.615
296 HD22 LEU 547 1HD2 LEU 547 2.897 1.698 1.635
297 HD23 LEU 547 2HD2 LEU 547 4.214 0.632 2.130
298 H MET 548 H MET 548 1.677 -3.478 -2.057
299 HA MET 548 HA MET 548 3.088 -1.572 -3.771
300 HB2 MET 548 2HB MET 548 2.940 -4.533 -4.303
301 HB3 MET 548 1HB MET 548 3.639 -3.327 -5.374
302 HG2 MET 548 2HG MET 548 5.578 -3.411 -4.312
303 HG3 MET 548 1HG MET 548 4.803 -3.119 -2.763
304 HE1 MET 548 3HE MET 548 4.341 -6.189 -1.035
305 HE2 MET 548 1HE MET 548 3.074 -6.229 -2.262
306 HE3 MET 548 2HE MET 548 3.553 -4.693 -1.539
307 H HIS 549 H HIS 549 0.237 -2.374 -2.769
308 HA HIS 549 HA HIS 549 -1.059 -2.474 -5.400
309 HB2 HIS 549 2HB HIS 549 -2.540 -2.742 -2.803
310 HB3 HIS 549 1HB HIS 549 -2.944 -3.402 -4.383
311 HD1 HIS 549 1HD HIS 549 -0.924 -5.245 -5.185
312 HD2 HIS 549 2HD HIS 549 -1.689 -4.682 -1.139
313 HE1 HIS 549 1HE HIS 549 -0.008 -7.285 -4.037
314 HE2 HIS 549 2HE HIS 549 -0.572 -6.968 -1.602
315 H ASN 550 H ASN 550 -0.171 -0.378 -2.938
316 HA ASN 550 HA ASN 550 -0.523 1.845 -2.590
317 HB2 ASN 550 2HB ASN 550 -2.037 1.563 -5.186
318 HB3 ASN 550 1HB ASN 550 -1.930 3.094 -4.326
319 HD21 ASN 550 1HD2 ASN 550 0.295 0.463 -5.215
320 HD22 ASN 550 2HD2 ASN 550 1.528 1.497 -5.840
321 H GLN 551 H GLN 551 -3.235 -0.292 -2.964
322 HA GLN 551 HA GLN 551 -5.079 -0.541 -1.681
323 HB2 GLN 551 2HB GLN 551 -4.432 2.035 -0.274
324 HB3 GLN 551 1HB GLN 551 -5.429 0.701 0.288
325 HG2 GLN 551 2HG GLN 551 -3.357 -0.719 0.220
326 HG3 GLN 551 1HG GLN 551 -2.450 0.776 -0.003
327 HE21 GLN 551 1HE2 GLN 551 -3.551 -1.388 2.225
328 HE22 GLN 551 2HE2 GLN 551 -3.475 -0.404 3.643
329 H ASP 552 H ASP 552 -6.963 -0.281 -2.476
330 HA ASP 552 HA ASP 552 -8.090 2.314 -3.057
331 HB2 ASP 552 2HB ASP 552 -8.637 1.728 -5.414
332 HB3 ASP 552 1HB ASP 552 -6.910 1.928 -5.133
333 H GLY 553 H GLY 553 -9.107 0.940 -1.141
334 HA2 GLY 553 2HA GLY 553 -11.084 0.057 -0.369
335 HA3 GLY 553 1HA GLY 553 -11.717 0.227 -1.999
336 H LEU 554 H LEU 554 -9.154 -1.729 -0.485
337 HA LEU 554 HA LEU 554 -10.231 -4.072 -1.897
338 HB2 LEU 554 2HB LEU 554 -7.510 -3.758 -0.640
339 HB3 LEU 554 1HB LEU 554 -8.043 -5.057 -1.692
340 HG LEU 554 HG LEU 554 -7.551 -2.183 -2.465
341 HD11 LEU 554 1HD1 LEU 554 -5.735 -4.136 -2.199
342 HD12 LEU 554 2HD1 LEU 554 -5.624 -2.867 -3.420
343 HD13 LEU 554 3HD1 LEU 554 -6.269 -4.451 -3.849
344 HD21 LEU 554 3HD2 LEU 554 -8.925 -4.412 -3.913
345 HD22 LEU 554 1HD2 LEU 554 -8.018 -3.190 -4.806
346 HD23 LEU 554 2HD2 LEU 554 -9.377 -2.711 -3.789
347 H ILE 555 H ILE 555 -9.442 -2.782 1.239
348 HA ILE 555 HA ILE 555 -10.245 -5.325 2.482
349 HB ILE 555 HB ILE 555 -9.298 -3.772 4.556
350 HG12 ILE 555 2HG1 ILE 555 -8.432 -2.170 2.790
351 HG13 ILE 555 1HG1 ILE 555 -7.235 -2.772 3.929
352 HG21 ILE 555 1HG2 ILE 555 -7.848 -5.820 2.892
353 HG22 ILE 555 2HG2 ILE 555 -8.884 -6.126 4.286
354 HG23 ILE 555 3HG2 ILE 555 -7.349 -5.284 4.496
355 HD11 ILE 555 3HD1 ILE 555 -6.077 -3.855 2.338
356 HD12 ILE 555 1HD1 ILE 555 -6.870 -2.695 1.273
357 HD13 ILE 555 2HD1 ILE 555 -7.524 -4.323 1.446
358 H CYS 556 H CYS 556 -11.017 -1.948 2.187
359 HA CYS 556 HA CYS 556 -12.876 -1.904 4.367
360 HB2 CYS 556 2HB CYS 556 -11.588 0.060 3.099
361 HB3 CYS 556 1HB CYS 556 -13.065 0.082 2.151
362 H GLY 557 H GLY 557 -12.952 -3.290 1.362
363 HA2 GLY 557 2HA GLY 557 -15.752 -3.855 1.581
364 HA3 GLY 557 1HA GLY 557 -15.342 -2.852 0.192
365 H LEU 558 H LEU 558 -15.483 -4.166 -1.500
366 HA LEU 558 HA LEU 558 -13.599 -6.352 -1.666
367 HB2 LEU 558 2HB LEU 558 -16.295 -7.138 -2.556
368 HB3 LEU 558 1HB LEU 558 -15.030 -8.094 -1.813
369 HG LEU 558 HG LEU 558 -16.599 -6.128 -0.177
370 HD11 LEU 558 1HD1 LEU 558 -17.412 -8.990 -0.603
371 HD12 LEU 558 2HD1 LEU 558 -18.159 -7.629 -1.441
372 HD13 LEU 558 3HD1 LEU 558 -18.257 -7.745 0.317
373 HD21 LEU 558 3HD2 LEU 558 -15.435 -6.985 1.516
374 HD22 LEU 558 1HD2 LEU 558 -14.481 -7.892 0.342
375 HD23 LEU 558 2HD2 LEU 558 -15.909 -8.625 1.071
376 H ARG 559 H ARG 559 -16.062 -4.350 -3.175
377 HA ARG 559 HA ARG 559 -14.595 -4.570 -5.710
378 HB2 ARG 559 2HB ARG 559 -16.941 -4.228 -6.772
379 HB3 ARG 559 1HB ARG 559 -16.468 -5.835 -6.237
380 HG2 ARG 559 2HG ARG 559 -18.096 -5.930 -4.717
381 HG3 ARG 559 1HG ARG 559 -17.789 -4.285 -4.155
382 HD2 ARG 559 2HD ARG 559 -19.103 -4.708 -6.798
383 HD3 ARG 559 1HD ARG 559 -20.050 -4.898 -5.323
384 HE ARG 559 HE ARG 559 -18.622 -2.465 -5.247
385 HH11 ARG 559 1HH1 ARG 559 -21.350 -3.967 -6.824
386 HH12 ARG 559 2HH1 ARG 559 -22.183 -2.471 -7.082
387 HH21 ARG 559 1HH2 ARG 559 -19.716 -0.498 -5.587
388 HH22 ARG 559 2HH2 ARG 559 -21.254 -0.501 -6.383
389 H GLN 560 H GLN 560 -14.371 -2.581 -3.651
390 HA GLN 560 HA GLN 560 -15.826 -0.274 -3.926
391 HB2 GLN 560 2HB GLN 560 -12.848 -0.568 -3.496
392 HB3 GLN 560 1HB GLN 560 -13.709 0.954 -3.327
393 HG2 GLN 560 2HG GLN 560 -13.677 -1.422 -1.558
394 HG3 GLN 560 1HG GLN 560 -13.655 0.294 -1.154
395 HE21 GLN 560 1HE2 GLN 560 -15.686 -2.377 -2.169
396 HE22 GLN 560 2HE2 GLN 560 -17.175 -1.719 -1.596