NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
574693 |
2mb1   |
19383 | 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 -19.871 5.926 -2.587
2 H2 ALA 507 2HT ALA 507 -19.202 5.082 -1.251
3 H3 ALA 507 3HT ALA 507 -20.074 4.229 -2.458
4 HA ALA 507 HA ALA 507 -18.341 5.172 -4.034
5 HB1 ALA 507 2HB ALA 507 -16.797 6.444 -3.088
6 HB2 ALA 507 3HB ALA 507 -16.202 5.009 -2.248
7 HB3 ALA 507 1HB ALA 507 -17.389 6.060 -1.473
8 H GLN 508 H GLN 508 -16.807 3.627 -4.767
9 HA GLN 508 HA GLN 508 -16.853 1.070 -3.316
10 HB2 GLN 508 2HB GLN 508 -17.685 1.659 -6.097
11 HB3 GLN 508 1HB GLN 508 -16.709 0.213 -5.878
12 HG2 GLN 508 2HG GLN 508 -18.844 0.418 -3.923
13 HG3 GLN 508 1HG GLN 508 -19.438 0.406 -5.583
14 HE21 GLN 508 1HE2 GLN 508 -19.053 -1.542 -3.121
15 HE22 GLN 508 2HE2 GLN 508 -18.609 -3.014 -3.906
16 HA PRO 509 HA PRO 509 -12.487 2.349 -4.228
17 HB2 PRO 509 2HB PRO 509 -12.036 1.135 -1.585
18 HB3 PRO 509 1HB PRO 509 -11.593 2.741 -2.170
19 HG2 PRO 509 2HG PRO 509 -13.543 2.379 -0.359
20 HG3 PRO 509 1HG PRO 509 -13.619 3.660 -1.583
21 HD2 PRO 509 2HD PRO 509 -15.001 1.004 -1.532
22 HD3 PRO 509 1HD PRO 509 -15.628 2.592 -2.025
23 H LYS 510 H LYS 510 -13.054 -0.454 -2.137
24 HA LYS 510 HA LYS 510 -12.752 -2.476 -3.979
25 HB2 LYS 510 2HB LYS 510 -10.475 -3.187 -3.805
26 HB3 LYS 510 1HB LYS 510 -10.470 -1.498 -4.276
27 HG2 LYS 510 2HG LYS 510 -10.247 -2.196 -1.389
28 HG3 LYS 510 1HG LYS 510 -8.842 -2.371 -2.439
29 HD2 LYS 510 2HD LYS 510 -8.871 -0.067 -3.008
30 HD3 LYS 510 1HD LYS 510 -10.458 0.161 -2.272
31 HE2 LYS 510 2HE LYS 510 -9.517 -0.281 -0.071
32 HE3 LYS 510 1HE LYS 510 -7.934 -0.570 -0.791
33 HZ1 LYS 510 3HZ LYS 510 -7.667 1.592 -0.252
34 HZ2 LYS 510 1HZ LYS 510 -9.322 1.942 -0.304
35 HZ3 LYS 510 2HZ LYS 510 -8.433 1.847 -1.738
36 H CYS 511 H CYS 511 -12.114 -1.342 -0.787
37 HA CYS 511 HA CYS 511 -12.230 -2.310 1.285
38 HB2 CYS 511 2HB CYS 511 -14.697 -2.714 -0.184
39 HB3 CYS 511 1HB CYS 511 -14.485 -3.933 1.069
40 H ASN 512 H ASN 512 -10.251 -3.565 0.467
41 HA ASN 512 HA ASN 512 -10.784 -6.422 0.907
42 HB2 ASN 512 2HB ASN 512 -9.175 -5.135 -1.265
43 HB3 ASN 512 1HB ASN 512 -8.663 -6.699 -0.636
44 HD21 ASN 512 1HD2 ASN 512 -9.074 -7.598 -2.690
45 HD22 ASN 512 2HD2 ASN 512 -10.684 -7.965 -3.196
46 HA PRO 513 HA PRO 513 -7.629 -4.926 3.910
47 HB2 PRO 513 2HB PRO 513 -8.702 -6.031 6.105
48 HB3 PRO 513 1HB PRO 513 -9.309 -4.511 5.438
49 HG2 PRO 513 2HG PRO 513 -10.418 -7.276 5.171
50 HG3 PRO 513 1HG PRO 513 -11.273 -5.748 5.438
51 HD2 PRO 513 2HD PRO 513 -11.036 -6.980 2.991
52 HD3 PRO 513 1HD PRO 513 -11.301 -5.239 3.207
53 H ASN 514 H ASN 514 -7.914 -7.558 2.248
54 HA ASN 514 HA ASN 514 -6.582 -9.409 4.072
55 HB2 ASN 514 2HB ASN 514 -8.399 -10.347 2.770
56 HB3 ASN 514 1HB ASN 514 -7.674 -9.771 1.273
57 HD21 ASN 514 1HD2 ASN 514 -6.582 -11.216 0.167
58 HD22 ASN 514 2HD2 ASN 514 -5.843 -12.643 0.799
59 H LEU 515 H LEU 515 -6.010 -7.442 1.242
60 HA LEU 515 HA LEU 515 -3.402 -8.583 0.731
61 HB2 LEU 515 2HB LEU 515 -4.614 -6.074 -0.426
62 HB3 LEU 515 1HB LEU 515 -3.248 -6.973 -1.059
63 HG LEU 515 HG LEU 515 -6.006 -8.167 -0.862
64 HD11 LEU 515 1HD1 LEU 515 -5.015 -7.254 -3.481
65 HD12 LEU 515 2HD1 LEU 515 -5.534 -5.989 -2.367
66 HD13 LEU 515 3HD1 LEU 515 -6.651 -7.274 -2.827
67 HD21 LEU 515 3HD2 LEU 515 -4.802 -9.379 -2.921
68 HD22 LEU 515 1HD2 LEU 515 -4.678 -9.956 -1.260
69 HD23 LEU 515 2HD2 LEU 515 -3.383 -8.981 -1.954
70 H HIS 516 H HIS 516 -2.673 -8.144 2.971
71 HA HIS 516 HA HIS 516 -2.239 -5.461 3.832
72 HB2 HIS 516 2HB HIS 516 -2.255 -7.862 5.094
73 HB3 HIS 516 1HB HIS 516 -0.522 -7.579 4.966
74 HD1 HIS 516 1HD HIS 516 -0.295 -4.632 5.541
75 HD2 HIS 516 2HD HIS 516 -2.866 -7.142 7.628
76 HE1 HIS 516 1HE HIS 516 -0.720 -3.483 7.738
77 HE2 HIS 516 2HE HIS 516 -2.210 -5.062 9.018
78 H TYR 517 H TYR 517 -0.606 -7.469 1.619
79 HA TYR 517 HA TYR 517 2.018 -6.365 2.021
80 HB2 TYR 517 2HB TYR 517 0.883 -8.004 -0.254
81 HB3 TYR 517 1HB TYR 517 2.583 -7.588 -0.062
82 HD1 TYR 517 1HD TYR 517 3.408 -8.155 2.507
83 HD2 TYR 517 2HD TYR 517 0.368 -10.168 0.313
84 HE1 TYR 517 1HE TYR 517 3.743 -10.160 3.891
85 HE2 TYR 517 2HE TYR 517 0.694 -12.177 1.693
86 HH TYR 517 HH TYR 517 1.575 -12.818 3.837
87 H TRP 518 H TRP 518 -0.124 -6.265 -0.832
88 HA TRP 518 HA TRP 518 1.222 -4.032 -1.960
89 HB2 TRP 518 2HB TRP 518 -1.496 -5.176 -2.627
90 HB3 TRP 518 1HB TRP 518 -0.585 -4.048 -3.625
91 HD1 TRP 518 HD TRP 518 1.476 -5.017 -5.009
92 HE1 TRP 518 1HE TRP 518 2.166 -7.417 -5.635
93 HE3 TRP 518 3HE TRP 518 -1.490 -7.595 -1.738
94 HZ2 TRP 518 2HZ TRP 518 1.535 -10.053 -4.846
95 HZ3 TRP 518 3HZ TRP 518 -1.387 -10.053 -1.737
96 HH2 TRP 518 HH TRP 518 0.095 -11.256 -3.261
97 H THR 519 H THR 519 -1.131 -4.253 0.481
98 HA THR 519 HA THR 519 -2.403 -2.740 1.583
99 HB THR 519 HB THR 519 -1.424 -0.679 2.074
100 HG1 THR 519 1HG THR 519 -0.675 0.635 0.604
101 HG21 THR 519 3HG2 THR 519 1.051 -0.915 1.901
102 HG22 THR 519 1HG2 THR 519 0.787 -2.401 0.989
103 HG23 THR 519 2HG2 THR 519 0.220 -2.274 2.655
104 H THR 520 H THR 520 -1.605 -0.623 -1.189
105 HA THR 520 HA THR 520 -3.875 -1.058 -2.718
106 HB THR 520 HB THR 520 -4.311 0.768 -0.404
107 HG1 THR 520 1HG THR 520 -5.368 -1.339 -0.877
108 HG21 THR 520 3HG2 THR 520 -5.379 1.337 -3.149
109 HG22 THR 520 1HG2 THR 520 -4.515 2.427 -2.065
110 HG23 THR 520 2HG2 THR 520 -6.154 1.907 -1.669
111 H GLN 521 H GLN 521 -2.322 1.855 -1.365
112 HA GLN 521 HA GLN 521 -1.967 3.017 -3.957
113 HB2 GLN 521 2HB GLN 521 -1.638 3.846 -1.212
114 HB3 GLN 521 1HB GLN 521 -0.211 4.272 -2.147
115 HG2 GLN 521 2HG GLN 521 -1.763 6.104 -2.159
116 HG3 GLN 521 1HG GLN 521 -1.649 5.419 -3.778
117 HE21 GLN 521 1HE2 GLN 521 -3.501 4.643 -0.850
118 HE22 GLN 521 2HE2 GLN 521 -5.043 4.612 -1.627
119 H ASP 522 H ASP 522 -0.417 0.627 -2.210
120 HA ASP 522 HA ASP 522 2.135 1.093 -3.472
121 HB2 ASP 522 2HB ASP 522 1.449 -1.190 -1.635
122 HB3 ASP 522 1HB ASP 522 3.049 -0.589 -2.049
123 H GLU 523 H GLU 523 -0.730 -0.483 -4.107
124 HA GLU 523 HA GLU 523 -0.182 -2.909 -5.203
125 HB2 GLU 523 2HB GLU 523 -2.122 -2.639 -6.560
126 HB3 GLU 523 1HB GLU 523 -2.412 -1.749 -5.071
127 HG2 GLU 523 2HG GLU 523 -2.971 -0.018 -6.328
128 HG3 GLU 523 1HG GLU 523 -1.271 0.119 -6.769
129 H GLY 524 H GLY 524 0.765 0.206 -6.451
130 HA2 GLY 524 2HA GLY 524 2.858 -0.372 -7.945
131 HA3 GLY 524 1HA GLY 524 1.586 -0.963 -9.001
132 H ALA 525 H ALA 525 1.563 1.903 -6.916
133 HA ALA 525 HA ALA 525 0.955 3.499 -9.292
134 HB1 ALA 525 1HB ALA 525 -0.241 4.947 -7.967
135 HB2 ALA 525 2HB ALA 525 0.709 4.583 -6.527
136 HB3 ALA 525 3HB ALA 525 -0.484 3.423 -7.114
137 H ALA 526 H ALA 526 2.792 3.942 -6.262
138 HA ALA 526 HA ALA 526 4.859 5.316 -7.829
139 HB1 ALA 526 1HB ALA 526 3.640 7.104 -6.824
140 HB2 ALA 526 2HB ALA 526 5.139 6.915 -5.914
141 HB3 ALA 526 3HB ALA 526 3.626 6.287 -5.261
142 H ILE 527 H ILE 527 4.782 2.669 -7.020
143 HA ILE 527 HA ILE 527 6.543 2.480 -4.722
144 HB ILE 527 HB ILE 527 6.179 0.019 -4.989
145 HG12 ILE 527 2HG1 ILE 527 4.292 -0.683 -6.436
146 HG13 ILE 527 1HG1 ILE 527 4.175 0.950 -7.081
147 HG21 ILE 527 1HG2 ILE 527 4.856 1.007 -3.375
148 HG22 ILE 527 2HG2 ILE 527 3.642 0.306 -4.443
149 HG23 ILE 527 3HG2 ILE 527 4.018 2.029 -4.546
150 HD11 ILE 527 3HD1 ILE 527 5.448 -0.980 -8.346
151 HD12 ILE 527 1HD1 ILE 527 6.777 -0.452 -7.317
152 HD13 ILE 527 2HD1 ILE 527 6.000 0.693 -8.408
153 H GLY 528 H GLY 528 6.986 2.967 -7.934
154 HA2 GLY 528 2HA GLY 528 8.872 1.090 -8.741
155 HA3 GLY 528 1HA GLY 528 8.776 2.736 -9.336
156 H LEU 529 H LEU 529 9.257 3.407 -6.242
157 HA LEU 529 HA LEU 529 12.160 3.448 -6.616
158 HB2 LEU 529 2HB LEU 529 12.145 5.136 -4.806
159 HB3 LEU 529 1HB LEU 529 11.203 5.595 -6.211
160 HG LEU 529 HG LEU 529 9.368 4.348 -4.511
161 HD11 LEU 529 1HD1 LEU 529 10.677 4.415 -2.585
162 HD12 LEU 529 2HD1 LEU 529 9.685 5.868 -2.471
163 HD13 LEU 529 3HD1 LEU 529 11.365 5.987 -2.993
164 HD21 LEU 529 3HD2 LEU 529 8.219 6.283 -4.776
165 HD22 LEU 529 1HD2 LEU 529 9.443 6.552 -6.016
166 HD23 LEU 529 2HD2 LEU 529 9.621 7.295 -4.427
167 H ALA 530 H ALA 530 9.720 2.422 -4.276
168 HA ALA 530 HA ALA 530 11.831 1.236 -2.620
169 HB1 ALA 530 1HB ALA 530 9.798 2.772 -1.849
170 HB2 ALA 530 2HB ALA 530 10.517 1.534 -0.821
171 HB3 ALA 530 3HB ALA 530 9.037 1.189 -1.708
172 H TRP 531 H TRP 531 9.955 0.198 -5.109
173 HA TRP 531 HA TRP 531 8.909 -2.211 -4.024
174 HB2 TRP 531 2HB TRP 531 8.034 -1.104 -6.056
175 HB3 TRP 531 1HB TRP 531 9.492 -1.583 -6.916
176 HD1 TRP 531 HD TRP 531 6.438 -3.181 -5.167
177 HE1 TRP 531 1HE TRP 531 5.993 -5.468 -6.259
178 HE3 TRP 531 3HE TRP 531 10.463 -3.375 -8.314
179 HZ2 TRP 531 2HZ TRP 531 7.189 -7.134 -8.198
180 HZ3 TRP 531 3HZ TRP 531 10.740 -5.352 -9.753
181 HH2 TRP 531 HH TRP 531 9.136 -7.191 -9.695
182 H ILE 532 H ILE 532 11.770 -1.821 -3.487
183 HA ILE 532 HA ILE 532 12.618 -4.480 -4.127
184 HB ILE 532 HB ILE 532 14.761 -3.827 -5.173
185 HG12 ILE 532 2HG1 ILE 532 14.129 -1.281 -6.225
186 HG13 ILE 532 1HG1 ILE 532 13.838 -1.188 -4.490
187 HG21 ILE 532 1HG2 ILE 532 12.783 -4.524 -6.511
188 HG22 ILE 532 2HG2 ILE 532 13.914 -3.491 -7.385
189 HG23 ILE 532 3HG2 ILE 532 12.409 -2.818 -6.759
190 HD11 ILE 532 3HD1 ILE 532 16.015 -1.253 -4.010
191 HD12 ILE 532 1HD1 ILE 532 16.241 -0.822 -5.705
192 HD13 ILE 532 2HD1 ILE 532 16.343 -2.509 -5.202
193 HA PRO 533 HA PRO 533 13.878 -2.628 0.025
194 HB2 PRO 533 2HB PRO 533 13.656 -5.189 1.153
195 HB3 PRO 533 1HB PRO 533 12.467 -3.892 1.274
196 HG2 PRO 533 2HG PRO 533 12.538 -6.231 -0.568
197 HG3 PRO 533 1HG PRO 533 11.146 -5.433 0.186
198 HD2 PRO 533 2HD PRO 533 11.729 -5.053 -2.397
199 HD3 PRO 533 1HD PRO 533 11.115 -3.724 -1.389
200 H TYR 534 H TYR 534 16.032 -2.299 -0.403
201 HA TYR 534 HA TYR 534 17.730 -4.618 -0.917
202 HB2 TYR 534 2HB TYR 534 17.792 -1.829 -1.647
203 HB3 TYR 534 1HB TYR 534 19.311 -2.295 -0.890
204 HD1 TYR 534 2HD TYR 534 16.921 -3.456 -3.514
205 HD2 TYR 534 1HD TYR 534 20.962 -3.260 -2.196
206 HE1 TYR 534 2HE TYR 534 17.654 -4.471 -5.630
207 HE2 TYR 534 1HE TYR 534 21.706 -4.275 -4.309
208 HH TYR 534 HH TYR 534 20.591 -4.342 -6.811
209 H PHE 535 H PHE 535 17.792 -1.764 1.253
210 HA PHE 535 HA PHE 535 19.361 -3.402 3.138
211 HB2 PHE 535 2HB PHE 535 19.610 -0.552 2.305
212 HB3 PHE 535 1HB PHE 535 20.020 -0.968 3.965
213 HD1 PHE 535 2HD PHE 535 20.909 -1.424 0.441
214 HD2 PHE 535 1HD PHE 535 21.963 -2.281 4.473
215 HE1 PHE 535 2HE PHE 535 23.134 -2.161 -0.303
216 HE2 PHE 535 1HE PHE 535 24.192 -3.019 3.738
217 HZ PHE 535 HZ PHE 535 24.780 -2.961 1.346
218 H GLY 536 H GLY 536 16.758 -1.052 2.809
219 HA2 GLY 536 2HA GLY 536 16.248 -1.058 5.670
220 HA3 GLY 536 1HA GLY 536 15.365 -0.149 4.455
221 HA PRO 537 HA PRO 537 12.776 -3.746 6.104
222 HB2 PRO 537 2HB PRO 537 10.507 -2.147 6.190
223 HB3 PRO 537 1HB PRO 537 11.551 -2.502 7.568
224 HG2 PRO 537 2HG PRO 537 11.505 -0.105 5.789
225 HG3 PRO 537 1HG PRO 537 11.748 -0.198 7.543
226 HD2 PRO 537 2HD PRO 537 13.802 0.181 5.874
227 HD3 PRO 537 1HD PRO 537 13.969 -0.832 7.323
228 H ALA 538 H ALA 538 10.143 -3.665 5.183
229 HA ALA 538 HA ALA 538 10.249 -4.762 2.697
230 HB1 ALA 538 1HB ALA 538 8.030 -3.192 3.977
231 HB2 ALA 538 2HB ALA 538 8.220 -4.943 3.877
232 HB3 ALA 538 3HB ALA 538 7.843 -4.012 2.425
233 H ALA 539 H ALA 539 9.621 -1.325 3.394
234 HA ALA 539 HA ALA 539 10.063 0.563 2.156
235 HB1 ALA 539 1HB ALA 539 11.660 0.529 0.450
236 HB2 ALA 539 2HB ALA 539 11.313 -1.156 0.047
237 HB3 ALA 539 3HB ALA 539 12.156 -0.760 1.548
238 H GLU 540 H GLU 540 9.177 -2.201 0.181
239 HA GLU 540 HA GLU 540 8.080 -1.249 -2.042
240 HB2 GLU 540 2HB GLU 540 7.732 -3.539 -0.378
241 HB3 GLU 540 1HB GLU 540 6.170 -3.090 -1.055
242 HG2 GLU 540 2HG GLU 540 7.331 -3.039 -3.306
243 HG3 GLU 540 1HG GLU 540 8.694 -3.823 -2.504
244 H GLY 541 H GLY 541 6.726 -0.772 1.151
245 HA2 GLY 541 2HA GLY 541 4.600 0.859 -0.090
246 HA3 GLY 541 1HA GLY 541 4.281 -0.171 1.299
247 H ILE 542 H ILE 542 6.397 0.271 2.897
248 HA ILE 542 HA ILE 542 5.759 2.740 4.108
249 HB ILE 542 HB ILE 542 7.693 2.223 5.632
250 HG12 ILE 542 2HG1 ILE 542 8.273 -0.372 5.298
251 HG13 ILE 542 1HG1 ILE 542 8.026 0.060 3.612
252 HG21 ILE 542 1HG2 ILE 542 5.285 0.583 5.188
253 HG22 ILE 542 2HG2 ILE 542 5.805 1.481 6.615
254 HG23 ILE 542 3HG2 ILE 542 6.501 -0.101 6.267
255 HD11 ILE 542 3HD1 ILE 542 10.325 0.290 4.037
256 HD12 ILE 542 1HD1 ILE 542 10.037 1.182 5.531
257 HD13 ILE 542 2HD1 ILE 542 9.671 1.926 3.975
258 H TYR 543 H TYR 543 8.228 1.856 1.796
259 HA TYR 543 HA TYR 543 9.425 4.528 2.162
260 HB2 TYR 543 2HB TYR 543 10.834 2.334 2.481
261 HB3 TYR 543 1HB TYR 543 10.873 2.340 0.724
262 HD1 TYR 543 2HD TYR 543 11.606 4.492 3.672
263 HD2 TYR 543 1HD TYR 543 12.474 3.609 -0.398
264 HE1 TYR 543 2HE TYR 543 13.471 6.094 3.729
265 HE2 TYR 543 1HE TYR 543 14.343 5.207 -0.353
266 HH TYR 543 HH TYR 543 14.720 7.537 1.758
267 H ALA 544 H ALA 544 7.482 2.701 0.178
268 HA ALA 544 HA ALA 544 8.263 4.087 -2.294
269 HB1 ALA 544 1HB ALA 544 7.772 2.102 -3.179
270 HB2 ALA 544 2HB ALA 544 6.079 2.413 -2.792
271 HB3 ALA 544 3HB ALA 544 7.096 1.530 -1.654
272 H GLU 545 H GLU 545 5.736 3.743 0.096
273 HA GLU 545 HA GLU 545 4.216 5.912 -1.205
274 HB2 GLU 545 2HB GLU 545 2.955 3.847 -1.213
275 HB3 GLU 545 1HB GLU 545 3.253 3.616 0.506
276 HG2 GLU 545 2HG GLU 545 1.038 4.409 0.311
277 HG3 GLU 545 1HG GLU 545 2.004 5.763 0.902
278 H GLY 546 H GLY 546 5.504 4.621 1.780
279 HA2 GLY 546 2HA GLY 546 5.597 5.462 3.923
280 HA3 GLY 546 1HA GLY 546 6.129 6.900 3.070
281 H LEU 547 H LEU 547 2.867 5.428 3.139
282 HA LEU 547 HA LEU 547 1.827 7.223 5.027
283 HB2 LEU 547 2HB LEU 547 1.570 9.099 3.890
284 HB3 LEU 547 1HB LEU 547 2.246 8.346 2.463
285 HG LEU 547 HG LEU 547 -0.619 7.788 2.935
286 HD11 LEU 547 1HD1 LEU 547 -1.449 9.894 2.419
287 HD12 LEU 547 2HD1 LEU 547 0.123 10.489 1.884
288 HD13 LEU 547 3HD1 LEU 547 -0.185 10.232 3.601
289 HD21 LEU 547 3HD2 LEU 547 0.141 8.919 0.395
290 HD22 LEU 547 1HD2 LEU 547 -0.513 7.324 0.765
291 HD23 LEU 547 2HD2 LEU 547 1.225 7.604 0.849
292 H MET 548 H MET 548 0.676 5.856 1.935
293 HA MET 548 HA MET 548 -1.670 4.830 3.328
294 HB2 MET 548 2HB MET 548 -1.011 5.432 0.497
295 HB3 MET 548 1HB MET 548 -2.136 4.113 0.788
296 HG2 MET 548 2HG MET 548 -3.777 5.482 1.497
297 HG3 MET 548 1HG MET 548 -2.661 6.612 2.260
298 HE1 MET 548 3HE MET 548 -4.311 8.294 1.600
299 HE2 MET 548 1HE MET 548 -5.308 7.743 0.254
300 HE3 MET 548 2HE MET 548 -4.276 9.160 0.065
301 H HIS 549 H HIS 549 1.257 3.707 3.171
302 HA HIS 549 HA HIS 549 1.027 1.175 1.949
303 HB2 HIS 549 2HB HIS 549 3.071 0.608 3.109
304 HB3 HIS 549 1HB HIS 549 3.187 2.269 2.539
305 HD1 HIS 549 1HD HIS 549 3.725 4.011 4.249
306 HD2 HIS 549 2HD HIS 549 2.530 0.420 5.966
307 HE1 HIS 549 1HE HIS 549 4.102 4.289 6.721
308 HE2 HIS 549 2HE HIS 549 3.305 2.130 7.746
309 H ASN 550 H ASN 550 -0.434 2.415 4.713
310 HA ASN 550 HA ASN 550 -0.606 -0.167 6.032
311 HB2 ASN 550 2HB ASN 550 -1.125 2.654 6.813
312 HB3 ASN 550 1HB ASN 550 -2.038 1.398 7.648
313 HD21 ASN 550 1HD2 ASN 550 -0.748 2.457 9.432
314 HD22 ASN 550 2HD2 ASN 550 0.785 1.752 9.799
315 H GLN 551 H GLN 551 -2.700 2.218 4.521
316 HA GLN 551 HA GLN 551 -5.149 0.968 5.091
317 HB2 GLN 551 2HB GLN 551 -6.023 2.288 3.159
318 HB3 GLN 551 1HB GLN 551 -5.134 3.246 4.335
319 HG2 GLN 551 2HG GLN 551 -3.648 3.891 2.825
320 HG3 GLN 551 1HG GLN 551 -3.408 2.241 2.250
321 HE21 GLN 551 1HE2 GLN 551 -6.257 4.345 2.253
322 HE22 GLN 551 2HE2 GLN 551 -6.510 4.293 0.545
323 H ASP 552 H ASP 552 -4.378 -1.250 4.753
324 HA ASP 552 HA ASP 552 -4.155 -2.139 1.999
325 HB2 ASP 552 2HB ASP 552 -3.803 -4.392 3.075
326 HB3 ASP 552 1HB ASP 552 -2.617 -3.165 3.510
327 H GLY 553 H GLY 553 -6.722 -1.103 3.229
328 HA2 GLY 553 2HA GLY 553 -8.785 -1.920 2.068
329 HA3 GLY 553 1HA GLY 553 -8.379 -3.496 2.734
330 H LEU 554 H LEU 554 -7.455 -2.348 5.260
331 HA LEU 554 HA LEU 554 -9.766 -2.545 6.801
332 HB2 LEU 554 2HB LEU 554 -7.375 -0.897 7.584
333 HB3 LEU 554 1HB LEU 554 -8.443 -1.822 8.629
334 HG LEU 554 HG LEU 554 -7.254 -3.648 6.801
335 HD11 LEU 554 1HD1 LEU 554 -5.482 -2.102 6.379
336 HD12 LEU 554 2HD1 LEU 554 -4.871 -3.350 7.465
337 HD13 LEU 554 3HD1 LEU 554 -5.300 -1.761 8.099
338 HD21 LEU 554 3HD2 LEU 554 -6.878 -4.852 8.687
339 HD22 LEU 554 1HD2 LEU 554 -8.026 -3.689 9.352
340 HD23 LEU 554 2HD2 LEU 554 -6.295 -3.456 9.595
341 H ILE 555 H ILE 555 -7.926 0.326 5.891
342 HA ILE 555 HA ILE 555 -9.920 2.149 6.854
343 HB ILE 555 HB ILE 555 -7.419 2.553 5.229
344 HG12 ILE 555 2HG1 ILE 555 -6.571 1.895 7.251
345 HG13 ILE 555 1HG1 ILE 555 -6.765 3.615 7.567
346 HG21 ILE 555 1HG2 ILE 555 -8.223 4.878 6.701
347 HG22 ILE 555 2HG2 ILE 555 -9.527 4.356 5.636
348 HG23 ILE 555 3HG2 ILE 555 -7.929 4.696 4.972
349 HD11 ILE 555 3HD1 ILE 555 -8.977 3.077 8.609
350 HD12 ILE 555 1HD1 ILE 555 -7.571 2.437 9.458
351 HD13 ILE 555 2HD1 ILE 555 -8.556 1.371 8.456
352 H CYS 556 H CYS 556 -11.394 0.752 5.292
353 HA CYS 556 HA CYS 556 -11.390 1.466 2.528
354 HB2 CYS 556 2HB CYS 556 -12.380 -0.636 3.649
355 HB3 CYS 556 1HB CYS 556 -13.765 0.381 4.025
356 H GLY 557 H GLY 557 -12.257 3.189 5.264
357 HA2 GLY 557 2HA GLY 557 -14.621 4.482 4.406
358 HA3 GLY 557 1HA GLY 557 -13.520 5.063 5.641
359 H LEU 558 H LEU 558 -11.510 4.743 3.130
360 HA LEU 558 HA LEU 558 -11.181 7.447 2.666
361 HB2 LEU 558 2HB LEU 558 -10.005 6.697 0.529
362 HB3 LEU 558 1HB LEU 558 -9.379 6.113 2.057
363 HG LEU 558 HG LEU 558 -11.214 4.161 1.245
364 HD11 LEU 558 1HD1 LEU 558 -11.346 4.935 -0.982
365 HD12 LEU 558 2HD1 LEU 558 -10.228 3.573 -1.007
366 HD13 LEU 558 3HD1 LEU 558 -9.608 5.222 -1.065
367 HD21 LEU 558 3HD2 LEU 558 -8.676 4.273 2.204
368 HD22 LEU 558 1HD2 LEU 558 -8.398 3.695 0.562
369 HD23 LEU 558 2HD2 LEU 558 -9.470 2.803 1.642
370 H ARG 559 H ARG 559 -12.680 5.135 0.411
371 HA ARG 559 HA ARG 559 -14.200 5.407 -1.266
372 HB2 ARG 559 2HB ARG 559 -15.085 7.486 0.717
373 HB3 ARG 559 1HB ARG 559 -15.935 7.258 -0.806
374 HG2 ARG 559 2HG ARG 559 -17.130 5.972 0.722
375 HG3 ARG 559 1HG ARG 559 -16.123 4.803 -0.133
376 HD2 ARG 559 2HD ARG 559 -14.464 5.026 1.746
377 HD3 ARG 559 1HD ARG 559 -15.682 5.960 2.613
378 HE ARG 559 HE ARG 559 -15.629 3.113 2.222
379 HH11 ARG 559 1HH1 ARG 559 -17.673 5.872 2.852
380 HH12 ARG 559 2HH1 ARG 559 -18.916 4.935 3.611
381 HH21 ARG 559 1HH2 ARG 559 -17.262 1.880 3.219
382 HH22 ARG 559 2HH2 ARG 559 -18.683 2.669 3.820
383 H GLN 560 H GLN 560 -14.993 6.895 -2.986
384 HA GLN 560 HA GLN 560 -14.606 8.383 -4.657
385 HB2 GLN 560 2HB GLN 560 -13.111 9.995 -2.586
386 HB3 GLN 560 1HB GLN 560 -13.787 10.587 -4.097
387 HG2 GLN 560 2HG GLN 560 -15.666 11.075 -3.049
388 HG3 GLN 560 1HG GLN 560 -15.894 9.367 -2.680
389 HE21 GLN 560 1HE2 GLN 560 -16.438 9.183 -0.631
390 HE22 GLN 560 2HE2 GLN 560 -15.693 9.997 0.698
Start of MODEL 2
1 H1 ALA 507 1HT ALA 507 -20.622 5.924 -1.584
2 H2 ALA 507 2HT ALA 507 -20.049 4.936 -0.303
3 H3 ALA 507 3HT ALA 507 -20.967 4.245 -1.576
4 HA ALA 507 HA ALA 507 -19.142 5.126 -3.069
5 HB1 ALA 507 2HB ALA 507 -16.986 4.772 -1.443
6 HB2 ALA 507 3HB ALA 507 -18.099 5.638 -0.383
7 HB3 ALA 507 1HB ALA 507 -17.636 6.337 -1.936
8 H GLN 508 H GLN 508 -17.458 3.541 -3.671
9 HA GLN 508 HA GLN 508 -17.951 0.892 -2.496
10 HB2 GLN 508 2HB GLN 508 -19.052 1.428 -4.808
11 HB3 GLN 508 1HB GLN 508 -17.423 1.199 -5.431
12 HG2 GLN 508 2HG GLN 508 -18.434 -0.912 -3.640
13 HG3 GLN 508 1HG GLN 508 -19.225 -0.770 -5.209
14 HE21 GLN 508 1HE2 GLN 508 -17.922 -0.950 -7.108
15 HE22 GLN 508 2HE2 GLN 508 -16.451 -1.855 -7.072
16 HA PRO 509 HA PRO 509 -13.407 1.756 -2.623
17 HB2 PRO 509 2HB PRO 509 -12.866 0.981 -0.101
18 HB3 PRO 509 1HB PRO 509 -13.482 2.596 -0.476
19 HG2 PRO 509 2HG PRO 509 -14.959 0.194 0.531
20 HG3 PRO 509 1HG PRO 509 -15.089 1.885 1.048
21 HD2 PRO 509 2HD PRO 509 -16.850 0.707 -0.666
22 HD3 PRO 509 1HD PRO 509 -16.475 2.442 -0.697
23 H LYS 510 H LYS 510 -15.396 -0.959 -2.202
24 HA LYS 510 HA LYS 510 -15.083 -3.113 -2.857
25 HB2 LYS 510 2HB LYS 510 -13.327 -3.686 -4.153
26 HB3 LYS 510 1HB LYS 510 -12.954 -1.972 -4.076
27 HG2 LYS 510 2HG LYS 510 -11.625 -2.727 -1.915
28 HG3 LYS 510 1HG LYS 510 -11.613 -4.271 -2.767
29 HD2 LYS 510 2HD LYS 510 -9.766 -3.437 -3.749
30 HD3 LYS 510 1HD LYS 510 -10.923 -2.575 -4.765
31 HE2 LYS 510 2HE LYS 510 -10.602 -0.580 -3.677
32 HE3 LYS 510 1HE LYS 510 -10.102 -1.358 -2.175
33 HZ1 LYS 510 3HZ LYS 510 -8.519 -0.619 -4.497
34 HZ2 LYS 510 1HZ LYS 510 -8.129 -2.106 -3.789
35 HZ3 LYS 510 2HZ LYS 510 -8.080 -0.690 -2.865
36 H CYS 511 H CYS 511 -13.071 -1.706 -0.447
37 HA CYS 511 HA CYS 511 -12.186 -2.473 1.512
38 HB2 CYS 511 2HB CYS 511 -15.002 -2.997 1.402
39 HB3 CYS 511 1HB CYS 511 -14.220 -4.257 2.351
40 H ASN 512 H ASN 512 -10.431 -3.659 0.810
41 HA ASN 512 HA ASN 512 -10.776 -6.572 0.985
42 HB2 ASN 512 2HB ASN 512 -9.567 -4.982 -1.204
43 HB3 ASN 512 1HB ASN 512 -8.672 -6.415 -0.707
44 HD21 ASN 512 1HD2 ASN 512 -10.526 -8.228 -0.143
45 HD22 ASN 512 2HD2 ASN 512 -11.514 -8.570 -1.520
46 HA PRO 513 HA PRO 513 -7.469 -5.113 3.871
47 HB2 PRO 513 2HB PRO 513 -8.408 -6.261 6.104
48 HB3 PRO 513 1HB PRO 513 -9.047 -4.723 5.507
49 HG2 PRO 513 2HG PRO 513 -10.190 -7.475 5.259
50 HG3 PRO 513 1HG PRO 513 -11.016 -5.946 5.603
51 HD2 PRO 513 2HD PRO 513 -10.929 -7.145 3.125
52 HD3 PRO 513 1HD PRO 513 -11.188 -5.409 3.388
53 H ASN 514 H ASN 514 -7.826 -7.675 2.150
54 HA ASN 514 HA ASN 514 -6.435 -9.597 3.852
55 HB2 ASN 514 2HB ASN 514 -8.290 -10.505 2.606
56 HB3 ASN 514 1HB ASN 514 -7.663 -9.845 1.100
57 HD21 ASN 514 1HD2 ASN 514 -7.197 -11.572 -0.086
58 HD22 ASN 514 2HD2 ASN 514 -6.187 -12.884 0.408
59 H LEU 515 H LEU 515 -5.931 -7.478 1.134
60 HA LEU 515 HA LEU 515 -3.317 -8.621 0.553
61 HB2 LEU 515 2HB LEU 515 -4.625 -6.198 -0.679
62 HB3 LEU 515 1HB LEU 515 -3.236 -7.072 -1.295
63 HG LEU 515 HG LEU 515 -6.026 -8.204 -1.089
64 HD11 LEU 515 1HD1 LEU 515 -6.160 -6.596 -2.774
65 HD12 LEU 515 2HD1 LEU 515 -5.809 -8.092 -3.638
66 HD13 LEU 515 3HD1 LEU 515 -4.523 -6.921 -3.343
67 HD21 LEU 515 3HD2 LEU 515 -4.761 -9.777 -2.839
68 HD22 LEU 515 1HD2 LEU 515 -4.794 -10.105 -1.106
69 HD23 LEU 515 2HD2 LEU 515 -3.390 -9.320 -1.828
70 H HIS 516 H HIS 516 -2.606 -8.070 2.786
71 HA HIS 516 HA HIS 516 -2.199 -5.316 3.465
72 HB2 HIS 516 2HB HIS 516 -2.384 -7.507 4.970
73 HB3 HIS 516 1HB HIS 516 -0.632 -7.461 4.805
74 HD1 HIS 516 1HD HIS 516 -3.095 -6.436 7.066
75 HD2 HIS 516 2HD HIS 516 0.231 -4.553 5.434
76 HE1 HIS 516 1HE HIS 516 -2.553 -4.548 8.637
77 HE2 HIS 516 2HE HIS 516 -0.587 -3.374 7.587
78 H TYR 517 H TYR 517 -0.622 -7.347 1.325
79 HA TYR 517 HA TYR 517 2.050 -6.348 1.809
80 HB2 TYR 517 2HB TYR 517 0.933 -8.098 -0.389
81 HB3 TYR 517 1HB TYR 517 2.636 -7.688 -0.207
82 HD1 TYR 517 2HD TYR 517 3.374 -8.070 2.450
83 HD2 TYR 517 1HD TYR 517 0.446 -10.246 0.262
84 HE1 TYR 517 2HE TYR 517 3.676 -9.984 3.962
85 HE2 TYR 517 1HE TYR 517 0.739 -12.168 1.769
86 HH TYR 517 HH TYR 517 2.354 -11.964 4.714
87 H TRP 518 H TRP 518 -0.372 -6.061 -0.793
88 HA TRP 518 HA TRP 518 1.200 -3.984 -2.075
89 HB2 TRP 518 2HB TRP 518 -1.248 -5.538 -2.803
90 HB3 TRP 518 1HB TRP 518 -0.917 -4.018 -3.628
91 HD1 TRP 518 HD TRP 518 1.596 -3.911 -4.876
92 HE1 TRP 518 1HE TRP 518 2.820 -5.784 -6.146
93 HE3 TRP 518 3HE TRP 518 -0.897 -7.949 -2.973
94 HZ2 TRP 518 2HZ TRP 518 2.742 -8.600 -6.318
95 HZ3 TRP 518 3HZ TRP 518 -0.260 -10.198 -3.742
96 HH2 TRP 518 HH TRP 518 1.521 -10.515 -5.381
97 H THR 519 H THR 519 -1.181 -4.108 0.311
98 HA THR 519 HA THR 519 -2.492 -2.558 1.317
99 HB THR 519 HB THR 519 -1.502 -0.507 1.760
100 HG1 THR 519 1HG THR 519 -0.866 0.802 0.248
101 HG21 THR 519 3HG2 THR 519 0.972 -0.700 1.536
102 HG22 THR 519 1HG2 THR 519 0.717 -2.199 0.644
103 HG23 THR 519 2HG2 THR 519 0.186 -2.069 2.321
104 H THR 520 H THR 520 -1.672 -0.553 -1.518
105 HA THR 520 HA THR 520 -3.954 -1.051 -3.032
106 HB THR 520 HB THR 520 -4.292 0.987 -0.870
107 HG1 THR 520 1HG THR 520 -5.921 -0.925 -2.159
108 HG21 THR 520 3HG2 THR 520 -4.736 2.556 -2.433
109 HG22 THR 520 1HG2 THR 520 -6.306 1.752 -2.403
110 HG23 THR 520 2HG2 THR 520 -5.143 1.371 -3.674
111 H GLN 521 H GLN 521 -2.310 1.889 -1.871
112 HA GLN 521 HA GLN 521 -1.903 2.861 -4.541
113 HB2 GLN 521 2HB GLN 521 -0.808 3.774 -1.876
114 HB3 GLN 521 1HB GLN 521 -0.498 4.600 -3.397
115 HG2 GLN 521 2HG GLN 521 -3.247 4.369 -3.333
116 HG3 GLN 521 1HG GLN 521 -2.813 4.707 -1.658
117 HE21 GLN 521 1HE2 GLN 521 -2.152 6.706 -1.099
118 HE22 GLN 521 2HE2 GLN 521 -2.037 8.036 -2.196
119 H ASP 522 H ASP 522 -0.449 0.584 -2.591
120 HA ASP 522 HA ASP 522 2.148 0.894 -3.804
121 HB2 ASP 522 2HB ASP 522 1.108 -0.755 -1.535
122 HB3 ASP 522 1HB ASP 522 2.634 -1.180 -2.303
123 H GLU 523 H GLU 523 -0.733 -0.661 -4.429
124 HA GLU 523 HA GLU 523 -0.206 -3.178 -5.305
125 HB2 GLU 523 2HB GLU 523 -2.082 -2.981 -6.753
126 HB3 GLU 523 1HB GLU 523 -2.405 -1.946 -5.369
127 HG2 GLU 523 2HG GLU 523 -1.827 0.014 -6.641
128 HG3 GLU 523 1HG GLU 523 -1.349 -0.981 -8.016
129 H GLY 524 H GLY 524 0.915 -0.208 -6.732
130 HA2 GLY 524 2HA GLY 524 3.044 -0.974 -8.079
131 HA3 GLY 524 1HA GLY 524 1.796 -1.582 -9.154
132 H ALA 525 H ALA 525 1.797 1.413 -7.263
133 HA ALA 525 HA ALA 525 1.375 2.869 -9.767
134 HB1 ALA 525 1HB ALA 525 0.872 3.770 -6.937
135 HB2 ALA 525 2HB ALA 525 -0.342 3.124 -8.042
136 HB3 ALA 525 3HB ALA 525 0.452 4.657 -8.403
137 H ALA 526 H ALA 526 3.053 3.469 -6.671
138 HA ALA 526 HA ALA 526 5.239 4.684 -8.208
139 HB1 ALA 526 1HB ALA 526 4.307 5.826 -5.590
140 HB2 ALA 526 2HB ALA 526 3.690 6.398 -7.140
141 HB3 ALA 526 3HB ALA 526 5.408 6.543 -6.768
142 H ILE 527 H ILE 527 5.029 2.089 -7.243
143 HA ILE 527 HA ILE 527 6.683 1.993 -4.866
144 HB ILE 527 HB ILE 527 6.248 -0.459 -4.970
145 HG12 ILE 527 2HG1 ILE 527 4.360 -1.170 -6.467
146 HG13 ILE 527 1HG1 ILE 527 4.470 0.382 -7.289
147 HG21 ILE 527 1HG2 ILE 527 4.187 1.667 -4.740
148 HG22 ILE 527 2HG2 ILE 527 4.839 0.583 -3.503
149 HG23 ILE 527 3HG2 ILE 527 3.655 -0.013 -4.664
150 HD11 ILE 527 3HD1 ILE 527 6.502 -0.152 -8.269
151 HD12 ILE 527 1HD1 ILE 527 5.608 -1.671 -8.329
152 HD13 ILE 527 2HD1 ILE 527 6.846 -1.425 -7.098
153 H GLY 528 H GLY 528 7.285 2.278 -8.069
154 HA2 GLY 528 2HA GLY 528 9.157 0.286 -8.650
155 HA3 GLY 528 1HA GLY 528 9.103 1.872 -9.396
156 H LEU 529 H LEU 529 9.467 2.758 -6.324
157 HA LEU 529 HA LEU 529 12.382 2.804 -6.592
158 HB2 LEU 529 2HB LEU 529 12.230 4.549 -4.785
159 HB3 LEU 529 1HB LEU 529 11.498 4.972 -6.321
160 HG LEU 529 HG LEU 529 9.625 3.751 -4.421
161 HD11 LEU 529 1HD1 LEU 529 10.600 6.526 -3.807
162 HD12 LEU 529 2HD1 LEU 529 11.192 5.100 -2.955
163 HD13 LEU 529 3HD1 LEU 529 9.482 5.524 -2.880
164 HD21 LEU 529 3HD2 LEU 529 8.963 4.765 -6.552
165 HD22 LEU 529 1HD2 LEU 529 9.585 6.321 -6.001
166 HD23 LEU 529 2HD2 LEU 529 8.212 5.580 -5.179
167 H ALA 530 H ALA 530 9.837 1.739 -4.434
168 HA ALA 530 HA ALA 530 11.833 0.744 -2.525
169 HB1 ALA 530 1HB ALA 530 8.960 0.510 -1.929
170 HB2 ALA 530 2HB ALA 530 9.624 2.143 -2.021
171 HB3 ALA 530 3HB ALA 530 10.305 0.975 -0.889
172 H TRP 531 H TRP 531 10.316 -0.431 -5.180
173 HA TRP 531 HA TRP 531 9.313 -2.901 -4.208
174 HB2 TRP 531 2HB TRP 531 9.053 -3.515 -6.503
175 HB3 TRP 531 1HB TRP 531 8.637 -1.813 -6.340
176 HD1 TRP 531 HD TRP 531 12.004 -1.184 -6.294
177 HE1 TRP 531 1HE TRP 531 13.099 -0.977 -8.614
178 HE3 TRP 531 3HE TRP 531 8.419 -3.515 -9.098
179 HZ2 TRP 531 2HZ TRP 531 12.521 -1.704 -11.280
180 HZ3 TRP 531 3HZ TRP 531 8.767 -3.717 -11.525
181 HH2 TRP 531 HH TRP 531 10.776 -2.829 -12.593
182 H ILE 532 H ILE 532 12.041 -2.310 -3.333
183 HA ILE 532 HA ILE 532 13.164 -4.897 -3.796
184 HB ILE 532 HB ILE 532 15.371 -4.054 -4.584
185 HG12 ILE 532 2HG1 ILE 532 14.413 -1.617 -5.798
186 HG13 ILE 532 1HG1 ILE 532 14.209 -1.541 -4.050
187 HG21 ILE 532 1HG2 ILE 532 14.794 -3.985 -6.885
188 HG22 ILE 532 2HG2 ILE 532 13.180 -3.368 -6.527
189 HG23 ILE 532 3HG2 ILE 532 13.607 -5.022 -6.091
190 HD11 ILE 532 3HD1 ILE 532 16.354 -0.622 -4.831
191 HD12 ILE 532 1HD1 ILE 532 16.786 -2.218 -5.445
192 HD13 ILE 532 2HD1 ILE 532 16.548 -1.974 -3.714
193 HA PRO 533 HA PRO 533 13.471 -3.069 0.538
194 HB2 PRO 533 2HB PRO 533 14.080 -5.995 0.712
195 HB3 PRO 533 1HB PRO 533 13.175 -4.970 1.830
196 HG2 PRO 533 2HG PRO 533 11.950 -6.590 0.057
197 HG3 PRO 533 1HG PRO 533 11.262 -5.039 0.559
198 HD2 PRO 533 2HD PRO 533 12.391 -5.819 -2.030
199 HD3 PRO 533 1HD PRO 533 11.365 -4.429 -1.623
200 H TYR 534 H TYR 534 15.405 -1.928 -0.169
201 HA TYR 534 HA TYR 534 17.898 -3.451 -0.054
202 HB2 TYR 534 2HB TYR 534 17.108 -1.401 -1.692
203 HB3 TYR 534 1HB TYR 534 18.076 -0.551 -0.493
204 HD1 TYR 534 1HD TYR 534 18.126 -3.109 -3.133
205 HD2 TYR 534 2HD TYR 534 20.458 -0.871 -0.366
206 HE1 TYR 534 1HE TYR 534 20.175 -3.810 -4.300
207 HE2 TYR 534 2HE TYR 534 22.512 -1.565 -1.525
208 HH TYR 534 HH TYR 534 22.535 -4.040 -3.901
209 H PHE 535 H PHE 535 16.423 -0.572 1.426
210 HA PHE 535 HA PHE 535 18.445 0.010 3.247
211 HB2 PHE 535 2HB PHE 535 15.959 1.053 2.636
212 HB3 PHE 535 1HB PHE 535 15.765 0.511 4.300
213 HD1 PHE 535 2HD PHE 535 17.815 1.170 5.871
214 HD2 PHE 535 1HD PHE 535 16.695 3.193 2.299
215 HE1 PHE 535 2HE PHE 535 18.956 3.199 6.667
216 HE2 PHE 535 1HE PHE 535 17.836 5.225 3.087
217 HZ PHE 535 HZ PHE 535 18.968 5.231 5.274
218 H GLY 536 H GLY 536 15.816 -2.317 3.458
219 HA2 GLY 536 2HA GLY 536 16.749 -4.232 4.974
220 HA3 GLY 536 1HA GLY 536 16.601 -2.986 6.204
221 HA PRO 537 HA PRO 537 12.323 -3.762 6.916
222 HB2 PRO 537 2HB PRO 537 11.000 -1.458 6.171
223 HB3 PRO 537 1HB PRO 537 11.825 -1.683 7.716
224 HG2 PRO 537 2HG PRO 537 12.782 -0.316 5.235
225 HG3 PRO 537 1HG PRO 537 12.985 0.163 6.932
226 HD2 PRO 537 2HD PRO 537 14.978 -0.986 5.565
227 HD3 PRO 537 1HD PRO 537 14.708 -1.350 7.281
228 H ALA 538 H ALA 538 10.010 -3.094 5.715
229 HA ALA 538 HA ALA 538 9.952 -4.774 3.459
230 HB1 ALA 538 1HB ALA 538 7.935 -2.775 4.466
231 HB2 ALA 538 2HB ALA 538 7.963 -4.513 4.761
232 HB3 ALA 538 3HB ALA 538 7.634 -3.899 3.141
233 H ALA 539 H ALA 539 9.680 -1.247 3.736
234 HA ALA 539 HA ALA 539 10.227 0.449 2.284
235 HB1 ALA 539 1HB ALA 539 12.284 -0.957 1.945
236 HB2 ALA 539 2HB ALA 539 11.841 0.095 0.600
237 HB3 ALA 539 3HB ALA 539 11.481 -1.633 0.524
238 H GLU 540 H GLU 540 9.429 -2.452 0.455
239 HA GLU 540 HA GLU 540 8.408 -1.603 -1.849
240 HB2 GLU 540 2HB GLU 540 7.834 -3.813 -0.029
241 HB3 GLU 540 1HB GLU 540 6.516 -3.463 -1.142
242 HG2 GLU 540 2HG GLU 540 9.205 -3.590 -2.334
243 HG3 GLU 540 1HG GLU 540 8.576 -5.103 -1.689
244 H GLY 541 H GLY 541 6.925 -1.049 1.267
245 HA2 GLY 541 2HA GLY 541 4.758 0.407 -0.109
246 HA3 GLY 541 1HA GLY 541 4.479 -0.508 1.365
247 H ILE 542 H ILE 542 6.617 0.186 2.895
248 HA ILE 542 HA ILE 542 5.855 2.767 3.822
249 HB ILE 542 HB ILE 542 7.741 2.462 5.463
250 HG12 ILE 542 2HG1 ILE 542 8.368 -0.128 5.494
251 HG13 ILE 542 1HG1 ILE 542 8.133 0.044 3.760
252 HG21 ILE 542 1HG2 ILE 542 6.542 0.230 6.350
253 HG22 ILE 542 2HG2 ILE 542 5.363 0.748 5.145
254 HG23 ILE 542 3HG2 ILE 542 5.817 1.834 6.460
255 HD11 ILE 542 3HD1 ILE 542 10.100 1.499 5.498
256 HD12 ILE 542 1HD1 ILE 542 9.764 1.939 3.824
257 HD13 ILE 542 2HD1 ILE 542 10.434 0.353 4.199
258 H TYR 543 H TYR 543 8.350 1.660 1.670
259 HA TYR 543 HA TYR 543 9.624 4.315 1.824
260 HB2 TYR 543 2HB TYR 543 11.156 2.465 2.315
261 HB3 TYR 543 1HB TYR 543 10.758 1.715 0.776
262 HD1 TYR 543 1HD TYR 543 12.282 4.745 2.284
263 HD2 TYR 543 2HD TYR 543 11.940 2.291 -1.174
264 HE1 TYR 543 1HE TYR 543 14.101 6.009 1.215
265 HE2 TYR 543 2HE TYR 543 13.758 3.546 -2.252
266 HH TYR 543 HH TYR 543 15.785 5.660 -0.566
267 H ALA 544 H ALA 544 7.534 2.465 0.032
268 HA ALA 544 HA ALA 544 8.230 3.727 -2.529
269 HB1 ALA 544 1HB ALA 544 7.109 1.186 -1.731
270 HB2 ALA 544 2HB ALA 544 7.796 1.675 -3.280
271 HB3 ALA 544 3HB ALA 544 6.097 1.992 -2.930
272 H GLU 545 H GLU 545 5.779 3.450 -0.049
273 HA GLU 545 HA GLU 545 4.173 5.511 -1.426
274 HB2 GLU 545 2HB GLU 545 2.979 3.399 -1.273
275 HB3 GLU 545 1HB GLU 545 3.297 3.314 0.455
276 HG2 GLU 545 2HG GLU 545 1.128 4.068 0.402
277 HG3 GLU 545 1HG GLU 545 2.032 5.576 0.543
278 H GLY 546 H GLY 546 5.563 4.416 1.581
279 HA2 GLY 546 2HA GLY 546 5.665 5.358 3.682
280 HA3 GLY 546 1HA GLY 546 6.218 6.732 2.744
281 H LEU 547 H LEU 547 2.897 5.411 2.794
282 HA LEU 547 HA LEU 547 1.948 7.292 4.658
283 HB2 LEU 547 2HB LEU 547 1.754 9.144 3.476
284 HB3 LEU 547 1HB LEU 547 2.455 8.330 2.096
285 HG LEU 547 HG LEU 547 -0.438 7.869 2.449
286 HD11 LEU 547 1HD1 LEU 547 -0.794 10.044 2.987
287 HD12 LEU 547 2HD1 LEU 547 -0.681 10.208 1.235
288 HD13 LEU 547 3HD1 LEU 547 0.711 10.591 2.249
289 HD21 LEU 547 3HD2 LEU 547 -0.375 7.626 0.207
290 HD22 LEU 547 1HD2 LEU 547 1.356 7.426 0.488
291 HD23 LEU 547 2HD2 LEU 547 0.717 8.992 -0.016
292 H MET 548 H MET 548 0.687 5.911 1.607
293 HA MET 548 HA MET 548 -1.665 5.013 3.092
294 HB2 MET 548 2HB MET 548 -1.144 5.792 0.332
295 HB3 MET 548 1HB MET 548 -2.039 4.282 0.441
296 HG2 MET 548 2HG MET 548 -3.768 5.750 0.422
297 HG3 MET 548 1HG MET 548 -3.484 5.663 2.159
298 HE1 MET 548 3HE MET 548 -4.593 9.224 1.829
299 HE2 MET 548 1HE MET 548 -3.938 8.405 3.248
300 HE3 MET 548 2HE MET 548 -5.005 7.539 2.143
301 H HIS 549 H HIS 549 1.213 3.788 2.824
302 HA HIS 549 HA HIS 549 0.908 1.260 1.633
303 HB2 HIS 549 2HB HIS 549 2.921 0.635 2.870
304 HB3 HIS 549 1HB HIS 549 3.100 2.239 2.168
305 HD1 HIS 549 1HD HIS 549 4.035 3.915 3.717
306 HD2 HIS 549 2HD HIS 549 2.061 0.874 5.748
307 HE1 HIS 549 1HE HIS 549 4.356 4.420 6.160
308 HE2 HIS 549 2HE HIS 549 3.094 2.606 7.369
309 H ASN 550 H ASN 550 -0.512 2.527 4.415
310 HA ASN 550 HA ASN 550 -0.719 -0.059 5.724
311 HB2 ASN 550 2HB ASN 550 -1.231 2.768 6.526
312 HB3 ASN 550 1HB ASN 550 -2.088 1.488 7.384
313 HD21 ASN 550 1HD2 ASN 550 0.192 3.424 8.012
314 HD22 ASN 550 2HD2 ASN 550 1.383 2.416 8.754
315 H GLN 551 H GLN 551 -2.724 2.261 4.036
316 HA GLN 551 HA GLN 551 -5.216 1.098 4.710
317 HB2 GLN 551 2HB GLN 551 -6.082 2.356 2.736
318 HB3 GLN 551 1HB GLN 551 -5.176 3.347 3.872
319 HG2 GLN 551 2HG GLN 551 -3.514 3.756 2.408
320 HG3 GLN 551 1HG GLN 551 -3.645 2.174 1.642
321 HE21 GLN 551 1HE2 GLN 551 -3.508 3.200 -0.394
322 HE22 GLN 551 2HE2 GLN 551 -4.872 4.008 -1.079
323 H ASP 552 H ASP 552 -4.435 -1.150 4.447
324 HA ASP 552 HA ASP 552 -4.329 -2.109 1.699
325 HB2 ASP 552 2HB ASP 552 -3.740 -4.281 2.718
326 HB3 ASP 552 1HB ASP 552 -2.665 -2.988 3.242
327 H GLY 553 H GLY 553 -6.827 -1.108 3.093
328 HA2 GLY 553 2HA GLY 553 -8.945 -2.007 2.106
329 HA3 GLY 553 1HA GLY 553 -8.447 -3.559 2.766
330 H LEU 554 H LEU 554 -7.390 -2.382 5.208
331 HA LEU 554 HA LEU 554 -9.642 -2.558 6.867
332 HB2 LEU 554 2HB LEU 554 -7.183 -1.016 7.620
333 HB3 LEU 554 1HB LEU 554 -8.206 -2.014 8.640
334 HG LEU 554 HG LEU 554 -7.119 -3.722 6.660
335 HD11 LEU 554 1HD1 LEU 554 -5.371 -2.197 6.172
336 HD12 LEU 554 2HD1 LEU 554 -4.688 -3.435 7.227
337 HD13 LEU 554 3HD1 LEU 554 -5.105 -1.850 7.881
338 HD21 LEU 554 3HD2 LEU 554 -7.721 -3.913 9.239
339 HD22 LEU 554 1HD2 LEU 554 -5.985 -3.647 9.399
340 HD23 LEU 554 2HD2 LEU 554 -6.586 -5.011 8.456
341 H ILE 555 H ILE 555 -7.675 0.264 6.060
342 HA ILE 555 HA ILE 555 -9.500 2.154 7.146
343 HB ILE 555 HB ILE 555 -7.143 2.436 5.304
344 HG12 ILE 555 2HG1 ILE 555 -6.096 1.831 7.223
345 HG13 ILE 555 1HG1 ILE 555 -6.322 3.529 7.622
346 HG21 ILE 555 1HG2 ILE 555 -9.113 4.361 5.886
347 HG22 ILE 555 2HG2 ILE 555 -7.591 4.585 5.024
348 HG23 ILE 555 3HG2 ILE 555 -7.660 4.827 6.770
349 HD11 ILE 555 3HD1 ILE 555 -6.921 2.134 9.495
350 HD12 ILE 555 1HD1 ILE 555 -8.070 1.239 8.498
351 HD13 ILE 555 2HD1 ILE 555 -8.357 2.941 8.866
352 H CYS 556 H CYS 556 -11.257 0.985 5.813
353 HA CYS 556 HA CYS 556 -11.506 1.559 3.044
354 HB2 CYS 556 2HB CYS 556 -12.888 0.018 4.955
355 HB3 CYS 556 1HB CYS 556 -14.063 1.164 4.320
356 H GLY 557 H GLY 557 -11.863 3.507 5.789
357 HA2 GLY 557 2HA GLY 557 -14.020 5.146 5.225
358 HA3 GLY 557 1HA GLY 557 -12.566 5.673 6.056
359 H LEU 558 H LEU 558 -11.029 4.923 3.516
360 HA LEU 558 HA LEU 558 -10.683 7.426 2.452
361 HB2 LEU 558 2HB LEU 558 -9.779 6.239 0.425
362 HB3 LEU 558 1HB LEU 558 -9.080 5.767 1.962
363 HG LEU 558 HG LEU 558 -10.943 3.879 1.821
364 HD11 LEU 558 1HD1 LEU 558 -12.035 3.867 -0.114
365 HD12 LEU 558 2HD1 LEU 558 -10.525 3.374 -0.878
366 HD13 LEU 558 3HD1 LEU 558 -10.962 5.081 -0.807
367 HD21 LEU 558 3HD2 LEU 558 -9.249 2.415 1.321
368 HD22 LEU 558 1HD2 LEU 558 -8.325 3.841 1.790
369 HD23 LEU 558 2HD2 LEU 558 -8.558 3.465 0.083
370 H ARG 559 H ARG 559 -12.850 4.887 1.269
371 HA ARG 559 HA ARG 559 -14.546 4.899 -0.258
372 HB2 ARG 559 2HB ARG 559 -14.841 7.483 1.217
373 HB3 ARG 559 1HB ARG 559 -15.896 7.154 -0.149
374 HG2 ARG 559 2HG ARG 559 -17.146 6.369 1.607
375 HG3 ARG 559 1HG ARG 559 -16.329 4.900 1.070
376 HD2 ARG 559 2HD ARG 559 -14.612 5.255 2.800
377 HD3 ARG 559 1HD ARG 559 -15.497 6.674 3.357
378 HE ARG 559 HE ARG 559 -16.839 4.069 3.336
379 HH11 ARG 559 1HH1 ARG 559 -15.495 6.739 5.152
380 HH12 ARG 559 2HH1 ARG 559 -16.254 6.267 6.634
381 HH21 ARG 559 1HH2 ARG 559 -17.827 3.456 5.287
382 HH22 ARG 559 2HH2 ARG 559 -17.572 4.407 6.713
383 H GLN 560 H GLN 560 -15.655 6.497 -2.010
384 HA GLN 560 HA GLN 560 -15.399 7.354 -4.103
385 HB2 GLN 560 2HB GLN 560 -13.192 8.898 -2.730
386 HB3 GLN 560 1HB GLN 560 -13.868 9.290 -4.305
387 HG2 GLN 560 2HG GLN 560 -15.389 10.540 -3.306
388 HG3 GLN 560 1HG GLN 560 -16.043 9.094 -2.538
389 HE21 GLN 560 1HE2 GLN 560 -16.119 9.125 -0.415
390 HE22 GLN 560 2HE2 GLN 560 -15.139 10.093 0.628
Start of MODEL 3
1 H1 ALA 507 1HT ALA 507 -16.101 6.960 -2.402
2 H2 ALA 507 2HT ALA 507 -17.548 7.398 -3.213
3 H3 ALA 507 3HT ALA 507 -16.069 8.171 -3.615
4 HA ALA 507 HA ALA 507 -16.967 6.379 -5.128
5 HB1 ALA 507 2HB ALA 507 -14.598 7.457 -4.932
6 HB2 ALA 507 3HB ALA 507 -14.835 6.004 -5.903
7 HB3 ALA 507 1HB ALA 507 -14.153 5.877 -4.282
8 H GLN 508 H GLN 508 -15.605 4.055 -5.387
9 HA GLN 508 HA GLN 508 -16.372 2.466 -3.040
10 HB2 GLN 508 2HB GLN 508 -17.810 2.454 -5.348
11 HB3 GLN 508 1HB GLN 508 -16.676 1.147 -5.660
12 HG2 GLN 508 2HG GLN 508 -17.387 -0.014 -3.682
13 HG3 GLN 508 1HG GLN 508 -18.415 1.340 -3.213
14 HE21 GLN 508 1HE2 GLN 508 -19.103 -1.452 -3.708
15 HE22 GLN 508 2HE2 GLN 508 -20.304 -1.437 -4.951
16 HA PRO 509 HA PRO 509 -12.060 1.334 -4.020
17 HB2 PRO 509 2HB PRO 509 -11.306 0.817 -1.491
18 HB3 PRO 509 1HB PRO 509 -11.421 2.469 -2.113
19 HG2 PRO 509 2HG PRO 509 -13.353 0.946 -0.410
20 HG3 PRO 509 1HG PRO 509 -12.830 2.635 -0.276
21 HD2 PRO 509 2HD PRO 509 -15.186 1.864 -1.431
22 HD3 PRO 509 1HD PRO 509 -14.317 3.350 -1.866
23 H LYS 510 H LYS 510 -14.630 -0.344 -2.453
24 HA LYS 510 HA LYS 510 -15.252 -2.535 -2.695
25 HB2 LYS 510 2HB LYS 510 -14.165 -3.940 -4.087
26 HB3 LYS 510 1HB LYS 510 -13.243 -2.508 -4.510
27 HG2 LYS 510 2HG LYS 510 -11.837 -3.442 -2.373
28 HG3 LYS 510 1HG LYS 510 -12.416 -4.939 -3.104
29 HD2 LYS 510 2HD LYS 510 -10.729 -4.778 -4.550
30 HD3 LYS 510 1HD LYS 510 -11.549 -3.380 -5.247
31 HE2 LYS 510 2HE LYS 510 -9.955 -2.018 -4.517
32 HE3 LYS 510 1HE LYS 510 -10.154 -2.600 -2.865
33 HZ1 LYS 510 3HZ LYS 510 -8.057 -3.309 -3.175
34 HZ2 LYS 510 1HZ LYS 510 -8.177 -3.325 -4.862
35 HZ3 LYS 510 2HZ LYS 510 -8.791 -4.616 -3.959
36 H CYS 511 H CYS 511 -12.740 -1.292 -0.838
37 HA CYS 511 HA CYS 511 -11.753 -1.882 1.132
38 HB2 CYS 511 2HB CYS 511 -14.367 -1.621 1.530
39 HB3 CYS 511 1HB CYS 511 -14.232 -3.329 1.934
40 H ASN 512 H ASN 512 -10.266 -3.341 0.157
41 HA ASN 512 HA ASN 512 -10.890 -6.183 0.603
42 HB2 ASN 512 2HB ASN 512 -9.922 -4.965 -1.674
43 HB3 ASN 512 1HB ASN 512 -8.459 -5.594 -0.926
44 HD21 ASN 512 1HD2 ASN 512 -8.867 -7.912 0.002
45 HD22 ASN 512 2HD2 ASN 512 -9.587 -9.009 -1.121
46 HA PRO 513 HA PRO 513 -7.805 -5.053 3.864
47 HB2 PRO 513 2HB PRO 513 -9.039 -6.294 5.909
48 HB3 PRO 513 1HB PRO 513 -9.503 -4.674 5.371
49 HG2 PRO 513 2HG PRO 513 -10.791 -7.310 4.776
50 HG3 PRO 513 1HG PRO 513 -11.549 -5.760 5.184
51 HD2 PRO 513 2HD PRO 513 -11.337 -6.711 2.631
52 HD3 PRO 513 1HD PRO 513 -11.404 -4.981 3.030
53 H ASN 514 H ASN 514 -8.213 -7.562 2.000
54 HA ASN 514 HA ASN 514 -7.006 -9.590 3.716
55 HB2 ASN 514 2HB ASN 514 -8.839 -10.380 2.373
56 HB3 ASN 514 1HB ASN 514 -8.132 -9.695 0.913
57 HD21 ASN 514 1HD2 ASN 514 -6.435 -10.750 -0.089
58 HD22 ASN 514 2HD2 ASN 514 -5.994 -12.375 0.295
59 H LEU 515 H LEU 515 -6.312 -7.558 0.942
60 HA LEU 515 HA LEU 515 -3.778 -8.803 0.387
61 HB2 LEU 515 2HB LEU 515 -4.828 -6.138 -0.563
62 HB3 LEU 515 1HB LEU 515 -3.486 -7.036 -1.247
63 HG LEU 515 HG LEU 515 -6.350 -7.988 -1.242
64 HD11 LEU 515 1HD1 LEU 515 -4.803 -6.307 -3.121
65 HD12 LEU 515 2HD1 LEU 515 -6.533 -6.337 -2.783
66 HD13 LEU 515 3HD1 LEU 515 -5.816 -7.570 -3.820
67 HD21 LEU 515 3HD2 LEU 515 -4.388 -9.088 -3.131
68 HD22 LEU 515 1HD2 LEU 515 -5.652 -9.896 -2.202
69 HD23 LEU 515 2HD2 LEU 515 -4.112 -9.502 -1.439
70 H HIS 516 H HIS 516 -3.000 -8.620 2.630
71 HA HIS 516 HA HIS 516 -2.316 -6.012 3.637
72 HB2 HIS 516 2HB HIS 516 -1.103 -7.356 5.404
73 HB3 HIS 516 1HB HIS 516 -2.833 -7.652 5.277
74 HD1 HIS 516 1HD HIS 516 -2.953 -10.036 6.031
75 HD2 HIS 516 2HD HIS 516 -0.095 -9.445 3.073
76 HE1 HIS 516 1HE HIS 516 -2.164 -12.337 5.391
77 HE2 HIS 516 2HE HIS 516 -0.492 -11.958 3.543
78 H TYR 517 H TYR 517 -0.944 -7.980 1.308
79 HA TYR 517 HA TYR 517 1.820 -7.507 1.924
80 HB2 TYR 517 2HB TYR 517 0.438 -8.543 -0.555
81 HB3 TYR 517 1HB TYR 517 2.187 -8.405 -0.402
82 HD1 TYR 517 2HD TYR 517 2.984 -9.453 2.035
83 HD2 TYR 517 1HD TYR 517 -0.346 -10.690 -0.307
84 HE1 TYR 517 2HE TYR 517 3.071 -11.670 3.094
85 HE2 TYR 517 1HE TYR 517 -0.269 -12.911 0.747
86 HH TYR 517 HH TYR 517 1.218 -13.587 3.503
87 H TRP 518 H TRP 518 -0.255 -6.404 -0.768
88 HA TRP 518 HA TRP 518 1.600 -4.221 -1.290
89 HB2 TRP 518 2HB TRP 518 -0.926 -4.984 -2.763
90 HB3 TRP 518 1HB TRP 518 0.300 -3.846 -3.310
91 HD1 TRP 518 HD TRP 518 2.499 -4.834 -4.394
92 HE1 TRP 518 1HE TRP 518 3.147 -7.191 -5.201
93 HE3 TRP 518 3HE TRP 518 -1.268 -7.508 -2.202
94 HZ2 TRP 518 2HZ TRP 518 2.189 -9.834 -4.943
95 HZ3 TRP 518 3HZ TRP 518 -1.329 -9.946 -2.531
96 HH2 TRP 518 HH TRP 518 0.363 -11.083 -3.874
97 H THR 519 H THR 519 -0.764 -4.572 0.877
98 HA THR 519 HA THR 519 -2.179 -3.208 2.000
99 HB THR 519 HB THR 519 -1.323 -1.143 2.618
100 HG1 THR 519 1HG THR 519 -0.457 0.294 1.255
101 HG21 THR 519 3HG2 THR 519 1.160 -1.171 2.405
102 HG22 THR 519 1HG2 THR 519 0.997 -2.609 1.396
103 HG23 THR 519 2HG2 THR 519 0.449 -2.639 3.073
104 H THR 520 H THR 520 -1.479 -0.971 -0.717
105 HA THR 520 HA THR 520 -3.754 -1.463 -2.228
106 HB THR 520 HB THR 520 -4.212 0.336 0.111
107 HG1 THR 520 1HG THR 520 -5.766 -1.029 0.347
108 HG21 THR 520 3HG2 THR 520 -6.049 1.486 -1.018
109 HG22 THR 520 1HG2 THR 520 -5.539 0.779 -2.551
110 HG23 THR 520 2HG2 THR 520 -4.480 1.907 -1.706
111 H GLN 521 H GLN 521 -2.290 1.472 -0.834
112 HA GLN 521 HA GLN 521 -2.034 2.748 -3.364
113 HB2 GLN 521 2HB GLN 521 -1.798 3.504 -0.671
114 HB3 GLN 521 1HB GLN 521 -0.203 3.758 -1.365
115 HG2 GLN 521 2HG GLN 521 -1.214 5.784 -1.729
116 HG3 GLN 521 1HG GLN 521 -1.496 4.956 -3.259
117 HE21 GLN 521 1HE2 GLN 521 -3.067 4.951 -0.076
118 HE22 GLN 521 2HE2 GLN 521 -4.659 5.254 -0.672
119 H ASP 522 H ASP 522 -0.360 0.282 -1.830
120 HA ASP 522 HA ASP 522 2.111 0.877 -3.187
121 HB2 ASP 522 2HB ASP 522 1.620 -1.558 -1.503
122 HB3 ASP 522 1HB ASP 522 3.157 -0.794 -1.893
123 H GLU 523 H GLU 523 -0.740 -0.746 -3.783
124 HA GLU 523 HA GLU 523 -0.165 -3.087 -5.045
125 HB2 GLU 523 2HB GLU 523 -2.170 -2.801 -6.309
126 HB3 GLU 523 1HB GLU 523 -2.426 -2.035 -4.748
127 HG2 GLU 523 2HG GLU 523 -1.895 0.152 -5.803
128 HG3 GLU 523 1HG GLU 523 -1.830 -0.670 -7.362
129 H GLY 524 H GLY 524 0.632 0.123 -6.136
130 HA2 GLY 524 2HA GLY 524 2.671 -0.253 -7.738
131 HA3 GLY 524 1HA GLY 524 1.401 -0.885 -8.774
132 H ALA 525 H ALA 525 1.303 1.891 -6.571
133 HA ALA 525 HA ALA 525 0.486 3.536 -8.853
134 HB1 ALA 525 1HB ALA 525 -0.087 3.612 -5.947
135 HB2 ALA 525 2HB ALA 525 -1.164 3.859 -7.321
136 HB3 ALA 525 3HB ALA 525 -0.065 5.144 -6.820
137 H ALA 526 H ALA 526 2.406 3.982 -5.879
138 HA ALA 526 HA ALA 526 4.316 5.553 -7.462
139 HB1 ALA 526 1HB ALA 526 3.053 6.332 -4.849
140 HB2 ALA 526 2HB ALA 526 3.109 7.247 -6.356
141 HB3 ALA 526 3HB ALA 526 4.576 7.029 -5.403
142 H ILE 527 H ILE 527 4.459 2.881 -6.804
143 HA ILE 527 HA ILE 527 6.300 2.682 -4.574
144 HB ILE 527 HB ILE 527 6.101 0.227 -4.965
145 HG12 ILE 527 2HG1 ILE 527 4.192 -0.506 -6.409
146 HG13 ILE 527 1HG1 ILE 527 4.050 1.140 -7.014
147 HG21 ILE 527 1HG2 ILE 527 3.658 0.203 -4.255
148 HG22 ILE 527 2HG2 ILE 527 3.691 1.954 -4.484
149 HG23 ILE 527 3HG2 ILE 527 4.752 1.197 -3.293
150 HD11 ILE 527 3HD1 ILE 527 5.840 0.931 -8.369
151 HD12 ILE 527 1HD1 ILE 527 5.413 -0.778 -8.266
152 HD13 ILE 527 2HD1 ILE 527 6.703 -0.129 -7.255
153 H GLY 528 H GLY 528 6.615 3.401 -7.753
154 HA2 GLY 528 2HA GLY 528 8.596 1.714 -8.733
155 HA3 GLY 528 1HA GLY 528 8.373 3.386 -9.213
156 H LEU 529 H LEU 529 8.899 3.936 -6.124
157 HA LEU 529 HA LEU 529 11.791 4.150 -6.544
158 HB2 LEU 529 2HB LEU 529 11.693 5.734 -4.618
159 HB3 LEU 529 1HB LEU 529 10.777 6.230 -6.028
160 HG LEU 529 HG LEU 529 9.247 4.736 -3.993
161 HD11 LEU 529 1HD1 LEU 529 9.010 6.666 -2.524
162 HD12 LEU 529 2HD1 LEU 529 10.221 7.540 -3.463
163 HD13 LEU 529 3HD1 LEU 529 10.680 6.098 -2.558
164 HD21 LEU 529 3HD2 LEU 529 8.861 6.923 -5.953
165 HD22 LEU 529 1HD2 LEU 529 7.837 6.936 -4.517
166 HD23 LEU 529 2HD2 LEU 529 7.839 5.533 -5.585
167 H ALA 530 H ALA 530 9.434 2.760 -4.353
168 HA ALA 530 HA ALA 530 11.591 1.718 -2.659
169 HB1 ALA 530 1HB ALA 530 8.758 1.312 -1.940
170 HB2 ALA 530 2HB ALA 530 9.388 2.960 -1.889
171 HB3 ALA 530 3HB ALA 530 10.148 1.696 -0.924
172 H TRP 531 H TRP 531 9.984 0.664 -5.312
173 HA TRP 531 HA TRP 531 9.125 -1.908 -4.512
174 HB2 TRP 531 2HB TRP 531 8.433 -0.670 -6.582
175 HB3 TRP 531 1HB TRP 531 9.991 -1.097 -7.279
176 HD1 TRP 531 HD TRP 531 10.219 -3.468 -8.332
177 HE1 TRP 531 1HE TRP 531 8.628 -5.470 -8.615
178 HE3 TRP 531 3HE TRP 531 6.403 -1.909 -5.304
179 HZ2 TRP 531 2HZ TRP 531 6.091 -6.283 -7.679
180 HZ3 TRP 531 3HZ TRP 531 4.430 -3.359 -5.054
181 HH2 TRP 531 HH TRP 531 4.279 -5.500 -6.218
182 H ILE 532 H ILE 532 11.856 -1.288 -3.624
183 HA ILE 532 HA ILE 532 13.029 -3.807 -4.294
184 HB ILE 532 HB ILE 532 15.204 -2.874 -5.048
185 HG12 ILE 532 2HG1 ILE 532 14.228 -0.351 -6.036
186 HG13 ILE 532 1HG1 ILE 532 14.021 -0.424 -4.289
187 HG21 ILE 532 1HG2 ILE 532 13.461 -3.732 -6.620
188 HG22 ILE 532 2HG2 ILE 532 14.587 -2.574 -7.330
189 HG23 ILE 532 3HG2 ILE 532 12.959 -2.062 -6.881
190 HD11 ILE 532 3HD1 ILE 532 16.144 0.568 -4.839
191 HD12 ILE 532 1HD1 ILE 532 16.586 -0.842 -5.801
192 HD13 ILE 532 2HD1 ILE 532 16.398 -0.992 -4.054
193 HA PRO 533 HA PRO 533 13.535 -2.130 0.081
194 HB2 PRO 533 2HB PRO 533 13.679 -4.836 0.911
195 HB3 PRO 533 1HB PRO 533 12.320 -3.731 1.109
196 HG2 PRO 533 2HG PRO 533 12.780 -5.817 -0.952
197 HG3 PRO 533 1HG PRO 533 11.257 -5.221 -0.269
198 HD2 PRO 533 2HD PRO 533 12.037 -4.556 -2.746
199 HD3 PRO 533 1HD PRO 533 11.183 -3.397 -1.703
200 H TYR 534 H TYR 534 15.643 -1.399 -0.537
201 HA TYR 534 HA TYR 534 17.782 -3.391 -0.503
202 HB2 TYR 534 2HB TYR 534 17.432 -0.733 -1.662
203 HB3 TYR 534 1HB TYR 534 18.981 -0.920 -0.846
204 HD1 TYR 534 2HD TYR 534 16.827 -3.024 -3.075
205 HD2 TYR 534 1HD TYR 534 20.709 -1.495 -2.246
206 HE1 TYR 534 2HE TYR 534 17.708 -4.213 -5.039
207 HE2 TYR 534 1HE TYR 534 21.601 -2.679 -4.207
208 HH TYR 534 HH TYR 534 20.547 -3.545 -6.473
209 H PHE 535 H PHE 535 16.757 -0.454 1.198
210 HA PHE 535 HA PHE 535 18.880 -0.242 2.985
211 HB2 PHE 535 2HB PHE 535 16.461 1.077 2.561
212 HB3 PHE 535 1HB PHE 535 16.350 0.485 4.215
213 HD1 PHE 535 1HD PHE 535 18.271 1.035 5.798
214 HD2 PHE 535 2HD PHE 535 17.687 2.987 2.062
215 HE1 PHE 535 1HE PHE 535 19.671 2.909 6.563
216 HE2 PHE 535 2HE PHE 535 19.086 4.864 2.819
217 HZ PHE 535 HZ PHE 535 20.080 4.826 5.072
218 H GLY 536 H GLY 536 16.012 -2.277 3.119
219 HA2 GLY 536 2HA GLY 536 16.854 -4.369 4.507
220 HA3 GLY 536 1HA GLY 536 16.710 -3.193 5.803
221 HA PRO 537 HA PRO 537 12.380 -3.807 6.334
222 HB2 PRO 537 2HB PRO 537 11.189 -1.413 5.611
223 HB3 PRO 537 1HB PRO 537 11.911 -1.747 7.187
224 HG2 PRO 537 2HG PRO 537 13.067 -0.309 4.838
225 HG3 PRO 537 1HG PRO 537 13.202 0.071 6.565
226 HD2 PRO 537 2HD PRO 537 15.210 -1.098 5.241
227 HD3 PRO 537 1HD PRO 537 14.832 -1.543 6.918
228 H ALA 538 H ALA 538 10.146 -2.956 5.053
229 HA ALA 538 HA ALA 538 10.216 -4.503 2.657
230 HB1 ALA 538 1HB ALA 538 7.823 -3.649 2.424
231 HB2 ALA 538 2HB ALA 538 8.074 -2.878 3.991
232 HB3 ALA 538 3HB ALA 538 8.198 -4.630 3.841
233 H ALA 539 H ALA 539 9.790 -1.052 3.352
234 HA ALA 539 HA ALA 539 10.257 0.813 2.086
235 HB1 ALA 539 1HB ALA 539 11.341 -0.990 -0.047
236 HB2 ALA 539 2HB ALA 539 12.266 -0.581 1.401
237 HB3 ALA 539 3HB ALA 539 11.759 0.692 0.287
238 H GLU 540 H GLU 540 9.324 -1.859 0.001
239 HA GLU 540 HA GLU 540 8.108 -0.769 -2.095
240 HB2 GLU 540 2HB GLU 540 7.652 -3.169 -0.470
241 HB3 GLU 540 1HB GLU 540 6.307 -2.727 -1.516
242 HG2 GLU 540 2HG GLU 540 7.843 -2.732 -3.436
243 HG3 GLU 540 1HG GLU 540 9.154 -3.236 -2.368
244 H GLY 541 H GLY 541 6.868 -0.600 1.174
245 HA2 GLY 541 2HA GLY 541 4.594 0.976 0.139
246 HA3 GLY 541 1HA GLY 541 4.416 -0.136 1.487
247 H ILE 542 H ILE 542 6.817 0.467 2.831
248 HA ILE 542 HA ILE 542 6.005 2.870 4.181
249 HB ILE 542 HB ILE 542 8.003 2.406 5.650
250 HG12 ILE 542 2HG1 ILE 542 8.638 -0.162 5.347
251 HG13 ILE 542 1HG1 ILE 542 8.285 0.199 3.663
252 HG21 ILE 542 1HG2 ILE 542 6.364 -0.061 5.619
253 HG22 ILE 542 2HG2 ILE 542 5.517 1.480 5.771
254 HG23 ILE 542 3HG2 ILE 542 6.750 1.030 6.950
255 HD11 ILE 542 3HD1 ILE 542 10.372 1.447 5.418
256 HD12 ILE 542 1HD1 ILE 542 9.909 2.106 3.848
257 HD13 ILE 542 2HD1 ILE 542 10.602 0.489 3.954
258 H TYR 543 H TYR 543 8.370 2.075 1.769
259 HA TYR 543 HA TYR 543 9.612 4.721 2.148
260 HB2 TYR 543 2HB TYR 543 11.216 2.888 2.342
261 HB3 TYR 543 1HB TYR 543 10.723 2.269 0.770
262 HD1 TYR 543 2HD TYR 543 12.237 5.244 2.414
263 HD2 TYR 543 1HD TYR 543 11.802 2.996 -1.170
264 HE1 TYR 543 2HE TYR 543 13.945 6.646 1.335
265 HE2 TYR 543 1HE TYR 543 13.510 4.389 -2.260
266 HH TYR 543 HH TYR 543 15.523 6.515 -0.532
267 H ALA 544 H ALA 544 7.445 3.034 0.290
268 HA ALA 544 HA ALA 544 7.958 4.585 -2.156
269 HB1 ALA 544 1HB ALA 544 5.839 2.876 -2.644
270 HB2 ALA 544 2HB ALA 544 6.882 1.951 -1.563
271 HB3 ALA 544 3HB ALA 544 7.527 2.593 -3.073
272 H GLU 545 H GLU 545 5.629 3.865 0.363
273 HA GLU 545 HA GLU 545 3.961 6.122 -0.551
274 HB2 GLU 545 2HB GLU 545 2.745 4.052 -0.769
275 HB3 GLU 545 1HB GLU 545 3.187 3.570 0.863
276 HG2 GLU 545 2HG GLU 545 1.048 4.288 1.207
277 HG3 GLU 545 1HG GLU 545 1.934 5.781 1.525
278 H GLY 546 H GLY 546 5.471 4.495 2.153
279 HA2 GLY 546 2HA GLY 546 5.612 5.030 4.398
280 HA3 GLY 546 1HA GLY 546 6.143 6.559 3.719
281 H LEU 547 H LEU 547 2.895 5.038 3.862
282 HA LEU 547 HA LEU 547 1.948 6.679 5.907
283 HB2 LEU 547 2HB LEU 547 1.415 8.616 4.981
284 HB3 LEU 547 1HB LEU 547 2.338 8.109 3.587
285 HG LEU 547 HG LEU 547 -0.297 7.070 3.275
286 HD11 LEU 547 1HD1 LEU 547 -0.200 9.958 4.101
287 HD12 LEU 547 2HD1 LEU 547 -1.142 8.661 4.835
288 HD13 LEU 547 3HD1 LEU 547 -1.535 9.226 3.211
289 HD21 LEU 547 3HD2 LEU 547 1.257 7.644 1.484
290 HD22 LEU 547 1HD2 LEU 547 1.136 9.347 1.922
291 HD23 LEU 547 2HD2 LEU 547 -0.275 8.497 1.295
292 H MET 548 H MET 548 0.731 5.439 2.801
293 HA MET 548 HA MET 548 -1.574 4.330 4.203
294 HB2 MET 548 2HB MET 548 -0.989 5.090 1.401
295 HB3 MET 548 1HB MET 548 -2.038 3.697 1.621
296 HG2 MET 548 2HG MET 548 -3.710 5.138 1.799
297 HG3 MET 548 1HG MET 548 -3.061 5.550 3.385
298 HE1 MET 548 3HE MET 548 -4.172 8.943 1.584
299 HE2 MET 548 1HE MET 548 -4.367 8.011 3.069
300 HE3 MET 548 2HE MET 548 -4.913 7.343 1.531
301 H HIS 549 H HIS 549 1.376 3.275 3.942
302 HA HIS 549 HA HIS 549 1.225 0.795 2.625
303 HB2 HIS 549 2HB HIS 549 3.386 1.636 3.149
304 HB3 HIS 549 1HB HIS 549 2.986 1.822 4.850
305 HD1 HIS 549 1HD HIS 549 4.122 0.130 6.227
306 HD2 HIS 549 2HD HIS 549 3.132 -1.367 2.479
307 HE1 HIS 549 1HE HIS 549 4.942 -2.248 6.215
308 HE2 HIS 549 2HE HIS 549 4.393 -3.112 3.912
309 H ASN 550 H ASN 550 -0.310 1.868 5.430
310 HA ASN 550 HA ASN 550 -0.488 -0.801 6.580
311 HB2 ASN 550 2HB ASN 550 -1.113 1.959 7.542
312 HB3 ASN 550 1HB ASN 550 -1.914 0.589 8.308
313 HD21 ASN 550 1HD2 ASN 550 0.618 2.600 8.577
314 HD22 ASN 550 2HD2 ASN 550 1.713 1.602 9.464
315 H GLN 551 H GLN 551 -2.529 1.666 5.150
316 HA GLN 551 HA GLN 551 -5.008 0.444 5.586
317 HB2 GLN 551 2HB GLN 551 -5.839 1.889 3.788
318 HB3 GLN 551 1HB GLN 551 -4.805 2.776 4.899
319 HG2 GLN 551 2HG GLN 551 -3.348 3.291 3.305
320 HG3 GLN 551 1HG GLN 551 -3.333 1.650 2.663
321 HE21 GLN 551 1HE2 GLN 551 -3.299 2.494 0.550
322 HE22 GLN 551 2HE2 GLN 551 -4.728 3.129 -0.185
323 H ASP 552 H ASP 552 -4.298 -1.783 5.181
324 HA ASP 552 HA ASP 552 -3.915 -2.594 2.438
325 HB2 ASP 552 2HB ASP 552 -3.917 -4.909 3.438
326 HB3 ASP 552 1HB ASP 552 -2.675 -3.825 4.059
327 H GLY 553 H GLY 553 -6.505 -1.353 3.396
328 HA2 GLY 553 2HA GLY 553 -8.476 -1.921 1.961
329 HA3 GLY 553 1HA GLY 553 -8.310 -3.548 2.607
330 H LEU 554 H LEU 554 -7.551 -2.446 5.258
331 HA LEU 554 HA LEU 554 -10.051 -2.495 6.517
332 HB2 LEU 554 2HB LEU 554 -7.640 -1.096 7.638
333 HB3 LEU 554 1HB LEU 554 -8.894 -1.967 8.507
334 HG LEU 554 HG LEU 554 -7.669 -3.838 6.772
335 HD11 LEU 554 1HD1 LEU 554 -5.754 -2.423 6.533
336 HD12 LEU 554 2HD1 LEU 554 -5.336 -3.741 7.628
337 HD13 LEU 554 3HD1 LEU 554 -5.686 -2.137 8.272
338 HD21 LEU 554 3HD2 LEU 554 -7.672 -3.383 9.742
339 HD22 LEU 554 1HD2 LEU 554 -6.868 -4.768 9.003
340 HD23 LEU 554 2HD2 LEU 554 -8.607 -4.549 8.805
341 H ILE 555 H ILE 555 -7.854 0.200 5.909
342 HA ILE 555 HA ILE 555 -9.820 2.166 6.663
343 HB ILE 555 HB ILE 555 -7.047 2.457 5.522
344 HG12 ILE 555 2HG1 ILE 555 -6.681 1.465 7.583
345 HG13 ILE 555 1HG1 ILE 555 -6.619 3.176 7.989
346 HG21 ILE 555 1HG2 ILE 555 -7.739 4.564 5.170
347 HG22 ILE 555 2HG2 ILE 555 -7.510 4.738 6.909
348 HG23 ILE 555 3HG2 ILE 555 -9.115 4.401 6.262
349 HD11 ILE 555 3HD1 ILE 555 -8.678 1.139 8.654
350 HD12 ILE 555 1HD1 ILE 555 -9.174 2.823 8.476
351 HD13 ILE 555 2HD1 ILE 555 -7.949 2.386 9.667
352 H CYS 556 H CYS 556 -10.994 0.879 4.674
353 HA CYS 556 HA CYS 556 -10.377 1.913 2.080
354 HB2 CYS 556 2HB CYS 556 -12.594 0.878 1.454
355 HB3 CYS 556 1HB CYS 556 -11.408 -0.226 2.137
356 H GLY 557 H GLY 557 -11.825 3.310 4.744
357 HA2 GLY 557 2HA GLY 557 -14.000 4.718 3.719
358 HA3 GLY 557 1HA GLY 557 -12.978 5.271 5.036
359 H LEU 558 H LEU 558 -10.730 5.022 2.828
360 HA LEU 558 HA LEU 558 -10.288 7.665 2.360
361 HB2 LEU 558 2HB LEU 558 -9.002 6.901 0.316
362 HB3 LEU 558 1HB LEU 558 -8.558 6.166 1.844
363 HG LEU 558 HG LEU 558 -10.376 4.366 0.965
364 HD11 LEU 558 1HD1 LEU 558 -9.105 4.366 -1.557
365 HD12 LEU 558 2HD1 LEU 558 -9.783 5.975 -1.311
366 HD13 LEU 558 3HD1 LEU 558 -10.821 4.555 -1.195
367 HD21 LEU 558 3HD2 LEU 558 -8.498 2.970 0.380
368 HD22 LEU 558 1HD2 LEU 558 -8.087 3.947 1.789
369 HD23 LEU 558 2HD2 LEU 558 -7.461 4.385 0.200
370 H ARG 559 H ARG 559 -11.952 5.457 0.126
371 HA ARG 559 HA ARG 559 -13.308 5.839 -1.675
372 HB2 ARG 559 2HB ARG 559 -14.115 7.913 0.325
373 HB3 ARG 559 1HB ARG 559 -14.836 7.948 -1.276
374 HG2 ARG 559 2HG ARG 559 -16.354 6.672 -0.135
375 HG3 ARG 559 1HG ARG 559 -15.302 5.421 -0.800
376 HD2 ARG 559 2HD ARG 559 -14.119 5.234 1.286
377 HD3 ARG 559 1HD ARG 559 -15.004 6.606 1.952
378 HE ARG 559 HE ARG 559 -16.811 5.236 2.344
379 HH11 ARG 559 1HH1 ARG 559 -14.471 3.545 0.380
380 HH12 ARG 559 2HH1 ARG 559 -15.251 2.010 0.557
381 HH21 ARG 559 1HH2 ARG 559 -17.835 3.219 2.572
382 HH22 ARG 559 2HH2 ARG 559 -17.162 1.825 1.798
383 H GLN 560 H GLN 560 -14.181 7.944 -3.072
384 HA GLN 560 HA GLN 560 -13.619 9.513 -4.618
385 HB2 GLN 560 2HB GLN 560 -11.135 10.281 -3.152
386 HB3 GLN 560 1HB GLN 560 -12.304 11.299 -3.979
387 HG2 GLN 560 2HG GLN 560 -12.501 10.072 -1.250
388 HG3 GLN 560 1HG GLN 560 -12.543 11.776 -1.697
389 HE21 GLN 560 1HE2 GLN 560 -14.423 9.984 -0.203
390 HE22 GLN 560 2HE2 GLN 560 -15.952 10.215 -0.974
Start of MODEL 4
1 H1 ALA 507 1HT ALA 507 -19.073 4.556 -4.696
2 H2 ALA 507 2HT ALA 507 -18.667 3.808 -3.205
3 H3 ALA 507 3HT ALA 507 -19.426 2.897 -4.446
4 HA ALA 507 HA ALA 507 -17.435 3.518 -5.837
5 HB1 ALA 507 2HB ALA 507 -16.807 4.915 -3.512
6 HB2 ALA 507 3HB ALA 507 -15.751 4.621 -4.893
7 HB3 ALA 507 1HB ALA 507 -15.725 3.522 -3.512
8 H GLN 508 H GLN 508 -15.530 1.949 -5.734
9 HA GLN 508 HA GLN 508 -16.299 -0.494 -4.292
10 HB2 GLN 508 2HB GLN 508 -15.782 -0.096 -7.196
11 HB3 GLN 508 1HB GLN 508 -15.201 -1.586 -6.466
12 HG2 GLN 508 2HG GLN 508 -17.226 -2.401 -6.861
13 HG3 GLN 508 1HG GLN 508 -17.772 -1.399 -5.518
14 HE21 GLN 508 1HE2 GLN 508 -19.442 -2.162 -7.590
15 HE22 GLN 508 2HE2 GLN 508 -19.883 -0.763 -8.503
16 HA PRO 509 HA PRO 509 -11.857 0.321 -3.476
17 HB2 PRO 509 2HB PRO 509 -11.941 0.201 -0.805
18 HB3 PRO 509 1HB PRO 509 -12.457 1.651 -1.677
19 HG2 PRO 509 2HG PRO 509 -14.100 -0.485 -0.401
20 HG3 PRO 509 1HG PRO 509 -14.397 1.259 -0.491
21 HD2 PRO 509 2HD PRO 509 -15.551 -0.681 -2.132
22 HD3 PRO 509 1HD PRO 509 -15.500 1.061 -2.468
23 H LYS 510 H LYS 510 -14.025 -2.232 -2.811
24 HA LYS 510 HA LYS 510 -13.687 -4.480 -2.792
25 HB2 LYS 510 2HB LYS 510 -11.753 -5.355 -3.557
26 HB3 LYS 510 1HB LYS 510 -11.323 -3.680 -3.856
27 HG2 LYS 510 2HG LYS 510 -10.455 -3.853 -1.352
28 HG3 LYS 510 1HG LYS 510 -10.333 -5.558 -1.792
29 HD2 LYS 510 2HD LYS 510 -8.313 -4.967 -2.589
30 HD3 LYS 510 1HD LYS 510 -9.231 -4.364 -3.971
31 HE2 LYS 510 2HE LYS 510 -9.000 -2.180 -3.348
32 HE3 LYS 510 1HE LYS 510 -8.895 -2.567 -1.631
33 HZ1 LYS 510 3HZ LYS 510 -6.806 -1.914 -3.237
34 HZ2 LYS 510 1HZ LYS 510 -6.690 -3.600 -3.154
35 HZ3 LYS 510 2HZ LYS 510 -6.685 -2.681 -1.735
36 H CYS 511 H CYS 511 -12.232 -2.378 -0.522
37 HA CYS 511 HA CYS 511 -11.750 -2.527 1.703
38 HB2 CYS 511 2HB CYS 511 -14.450 -3.695 1.267
39 HB3 CYS 511 1HB CYS 511 -13.752 -3.845 2.877
40 H ASN 512 H ASN 512 -9.910 -3.968 1.041
41 HA ASN 512 HA ASN 512 -10.213 -6.621 2.287
42 HB2 ASN 512 2HB ASN 512 -9.118 -5.860 -0.273
43 HB3 ASN 512 1HB ASN 512 -7.880 -6.636 0.707
44 HD21 ASN 512 1HD2 ASN 512 -11.329 -7.058 -0.026
45 HD22 ASN 512 2HD2 ASN 512 -11.243 -8.767 -0.256
46 HA PRO 513 HA PRO 513 -7.267 -4.219 4.907
47 HB2 PRO 513 2HB PRO 513 -8.245 -5.044 7.278
48 HB3 PRO 513 1HB PRO 513 -8.963 -3.709 6.370
49 HG2 PRO 513 2HG PRO 513 -9.846 -6.559 6.572
50 HG3 PRO 513 1HG PRO 513 -10.823 -5.080 6.582
51 HD2 PRO 513 2HD PRO 513 -10.495 -6.673 4.380
52 HD3 PRO 513 1HD PRO 513 -10.842 -4.933 4.292
53 H ASN 514 H ASN 514 -7.271 -7.160 3.795
54 HA ASN 514 HA ASN 514 -5.714 -8.442 5.906
55 HB2 ASN 514 2HB ASN 514 -7.404 -9.844 4.925
56 HB3 ASN 514 1HB ASN 514 -6.854 -9.460 3.298
57 HD21 ASN 514 1HD2 ASN 514 -6.784 -11.796 3.074
58 HD22 ASN 514 2HD2 ASN 514 -5.380 -12.651 3.605
59 H LEU 515 H LEU 515 -5.418 -7.135 2.666
60 HA LEU 515 HA LEU 515 -2.678 -8.023 2.379
61 HB2 LEU 515 2HB LEU 515 -4.114 -6.048 0.624
62 HB3 LEU 515 1HB LEU 515 -2.750 -7.071 0.211
63 HG LEU 515 HG LEU 515 -5.306 -8.391 0.988
64 HD11 LEU 515 1HD1 LEU 515 -4.812 -7.204 -1.738
65 HD12 LEU 515 2HD1 LEU 515 -5.989 -6.615 -0.565
66 HD13 LEU 515 3HD1 LEU 515 -6.172 -8.222 -1.267
67 HD21 LEU 515 3HD2 LEU 515 -4.405 -10.190 -0.014
68 HD22 LEU 515 1HD2 LEU 515 -2.888 -9.316 0.197
69 HD23 LEU 515 2HD2 LEU 515 -3.738 -9.245 -1.346
70 H HIS 516 H HIS 516 -2.022 -6.913 4.397
71 HA HIS 516 HA HIS 516 -1.968 -4.072 4.530
72 HB2 HIS 516 2HB HIS 516 -1.860 -5.631 6.497
73 HB3 HIS 516 1HB HIS 516 -0.202 -6.002 6.035
74 HD1 HIS 516 1HD HIS 516 -2.235 -3.566 7.871
75 HD2 HIS 516 2HD HIS 516 1.591 -3.740 6.259
76 HE1 HIS 516 1HE HIS 516 -0.970 -1.672 8.935
77 HE2 HIS 516 2HE HIS 516 1.316 -1.743 7.878
78 H TYR 517 H TYR 517 -0.185 -6.200 2.642
79 HA TYR 517 HA TYR 517 2.307 -4.750 2.724
80 HB2 TYR 517 2HB TYR 517 1.268 -7.101 1.194
81 HB3 TYR 517 1HB TYR 517 2.709 -6.269 0.621
82 HD1 TYR 517 2HD TYR 517 1.355 -7.545 3.869
83 HD2 TYR 517 1HD TYR 517 4.720 -7.165 1.294
84 HE1 TYR 517 2HE TYR 517 2.715 -8.819 5.471
85 HE2 TYR 517 1HE TYR 517 6.091 -8.439 2.889
86 HH TYR 517 HH TYR 517 5.696 -8.812 5.768
87 H TRP 518 H TRP 518 0.009 -5.412 0.069
88 HA TRP 518 HA TRP 518 1.070 -3.340 -1.569
89 HB2 TRP 518 2HB TRP 518 -1.333 -5.128 -1.732
90 HB3 TRP 518 1HB TRP 518 -1.144 -3.792 -2.862
91 HD1 TRP 518 HD TRP 518 0.541 -4.106 -4.834
92 HE1 TRP 518 1HE TRP 518 1.999 -6.065 -5.641
93 HE3 TRP 518 3HE TRP 518 0.073 -7.190 -0.782
94 HZ2 TRP 518 2HZ TRP 518 2.840 -8.584 -4.689
95 HZ3 TRP 518 3HZ TRP 518 1.237 -9.357 -0.812
96 HH2 TRP 518 HH TRP 518 2.591 -10.039 -2.725
97 H THR 519 H THR 519 -1.192 -3.345 0.989
98 HA THR 519 HA THR 519 -2.600 -1.802 1.848
99 HB THR 519 HB THR 519 -1.752 0.354 2.102
100 HG1 THR 519 1HG THR 519 -0.830 1.501 0.532
101 HG21 THR 519 3HG2 THR 519 -0.035 -0.978 2.948
102 HG22 THR 519 1HG2 THR 519 0.769 0.215 1.931
103 HG23 THR 519 2HG2 THR 519 0.534 -1.429 1.341
104 H THR 520 H THR 520 -1.888 0.045 -1.128
105 HA THR 520 HA THR 520 -4.102 -0.720 -2.619
106 HB THR 520 HB THR 520 -4.670 1.373 -0.565
107 HG1 THR 520 1HG THR 520 -6.092 -0.727 -1.806
108 HG21 THR 520 3HG2 THR 520 -6.615 2.132 -1.974
109 HG22 THR 520 1HG2 THR 520 -5.768 1.430 -3.354
110 HG23 THR 520 2HG2 THR 520 -5.026 2.741 -2.439
111 H GLN 521 H GLN 521 -2.769 2.428 -1.613
112 HA GLN 521 HA GLN 521 -2.452 3.304 -4.320
113 HB2 GLN 521 2HB GLN 521 -1.811 4.409 -1.632
114 HB3 GLN 521 1HB GLN 521 -0.928 5.053 -3.008
115 HG2 GLN 521 2HG GLN 521 -3.602 5.030 -3.798
116 HG3 GLN 521 1HG GLN 521 -3.610 5.600 -2.129
117 HE21 GLN 521 1HE2 GLN 521 -1.929 7.300 -1.655
118 HE22 GLN 521 2HE2 GLN 521 -1.718 8.535 -2.843
119 H ASP 522 H ASP 522 -0.779 1.235 -2.315
120 HA ASP 522 HA ASP 522 1.785 1.773 -3.474
121 HB2 ASP 522 2HB ASP 522 0.787 -0.002 -1.310
122 HB3 ASP 522 1HB ASP 522 2.285 -0.453 -2.117
123 H GLU 523 H GLU 523 -0.944 0.049 -4.282
124 HA GLU 523 HA GLU 523 -0.220 -2.357 -5.300
125 HB2 GLU 523 2HB GLU 523 -2.087 -2.202 -6.762
126 HB3 GLU 523 1HB GLU 523 -2.495 -1.273 -5.325
127 HG2 GLU 523 2HG GLU 523 -2.218 0.774 -6.434
128 HG3 GLU 523 1HG GLU 523 -1.381 0.021 -7.791
129 H GLY 524 H GLY 524 0.719 0.763 -6.533
130 HA2 GLY 524 2HA GLY 524 2.911 0.194 -7.895
131 HA3 GLY 524 1HA GLY 524 1.706 -0.406 -9.021
132 H ALA 525 H ALA 525 1.507 2.453 -6.941
133 HA ALA 525 HA ALA 525 1.010 4.034 -9.347
134 HB1 ALA 525 1HB ALA 525 0.450 5.760 -7.374
135 HB2 ALA 525 2HB ALA 525 0.178 4.239 -6.527
136 HB3 ALA 525 3HB ALA 525 -0.716 4.597 -8.004
137 H ALA 526 H ALA 526 2.745 4.500 -6.270
138 HA ALA 526 HA ALA 526 4.862 5.871 -7.772
139 HB1 ALA 526 1HB ALA 526 3.425 7.591 -6.755
140 HB2 ALA 526 2HB ALA 526 5.047 7.593 -6.064
141 HB3 ALA 526 3HB ALA 526 3.708 6.870 -5.171
142 H ILE 527 H ILE 527 4.628 3.226 -6.798
143 HA ILE 527 HA ILE 527 6.390 3.095 -4.496
144 HB ILE 527 HB ILE 527 5.867 0.675 -4.551
145 HG12 ILE 527 2HG1 ILE 527 3.927 0.011 -6.050
146 HG13 ILE 527 1HG1 ILE 527 4.187 1.507 -6.940
147 HG21 ILE 527 1HG2 ILE 527 4.522 2.191 -3.228
148 HG22 ILE 527 2HG2 ILE 527 3.485 0.960 -3.943
149 HG23 ILE 527 3HG2 ILE 527 3.535 2.585 -4.635
150 HD11 ILE 527 3HD1 ILE 527 5.202 -0.702 -7.807
151 HD12 ILE 527 1HD1 ILE 527 6.428 -0.431 -6.568
152 HD13 ILE 527 2HD1 ILE 527 6.177 0.767 -7.839
153 H GLY 528 H GLY 528 6.840 3.362 -7.736
154 HA2 GLY 528 2HA GLY 528 8.613 1.334 -8.438
155 HA3 GLY 528 1HA GLY 528 8.581 2.933 -9.151
156 H LEU 529 H LEU 529 9.186 3.567 -5.983
157 HA LEU 529 HA LEU 529 12.061 3.640 -6.521
158 HB2 LEU 529 2HB LEU 529 12.102 5.172 -4.519
159 HB3 LEU 529 1HB LEU 529 11.254 5.766 -5.933
160 HG LEU 529 HG LEU 529 9.366 4.429 -4.258
161 HD11 LEU 529 1HD1 LEU 529 11.080 4.896 -2.491
162 HD12 LEU 529 2HD1 LEU 529 9.505 5.642 -2.221
163 HD13 LEU 529 3HD1 LEU 529 10.850 6.614 -2.818
164 HD21 LEU 529 3HD2 LEU 529 9.222 6.405 -5.954
165 HD22 LEU 529 1HD2 LEU 529 9.553 7.394 -4.532
166 HD23 LEU 529 2HD2 LEU 529 8.133 6.347 -4.568
167 H ALA 530 H ALA 530 9.772 2.554 -4.057
168 HA ALA 530 HA ALA 530 11.944 1.173 -2.641
169 HB1 ALA 530 1HB ALA 530 10.825 1.538 -0.741
170 HB2 ALA 530 2HB ALA 530 9.275 1.110 -1.467
171 HB3 ALA 530 3HB ALA 530 9.933 2.730 -1.687
172 H TRP 531 H TRP 531 9.847 0.460 -5.033
173 HA TRP 531 HA TRP 531 8.465 -1.803 -4.289
174 HB2 TRP 531 2HB TRP 531 8.377 -0.498 -6.445
175 HB3 TRP 531 1HB TRP 531 9.755 -1.452 -6.974
176 HD1 TRP 531 HD TRP 531 8.972 -3.331 -8.524
177 HE1 TRP 531 1HE TRP 531 6.950 -4.919 -8.636
178 HE3 TRP 531 3HE TRP 531 6.371 -1.620 -4.469
179 HZ2 TRP 531 2HZ TRP 531 4.567 -5.386 -7.195
180 HZ3 TRP 531 3HZ TRP 531 4.229 -2.691 -3.904
181 HH2 TRP 531 HH TRP 531 3.347 -4.533 -5.240
182 H ILE 532 H ILE 532 11.826 -1.505 -4.303
183 HA ILE 532 HA ILE 532 12.050 -4.421 -4.161
184 HB ILE 532 HB ILE 532 14.272 -4.274 -5.301
185 HG12 ILE 532 2HG1 ILE 532 13.972 -1.991 -6.876
186 HG13 ILE 532 1HG1 ILE 532 13.582 -1.442 -5.250
187 HG21 ILE 532 1HG2 ILE 532 11.647 -3.798 -6.585
188 HG22 ILE 532 2HG2 ILE 532 12.760 -5.158 -6.745
189 HG23 ILE 532 3HG2 ILE 532 13.078 -3.654 -7.608
190 HD11 ILE 532 3HD1 ILE 532 15.729 -1.338 -4.761
191 HD12 ILE 532 1HD1 ILE 532 16.119 -1.861 -6.400
192 HD13 ILE 532 2HD1 ILE 532 15.916 -3.055 -5.118
193 HA PRO 533 HA PRO 533 13.807 -2.306 -0.407
194 HB2 PRO 533 2HB PRO 533 12.684 -4.746 0.834
195 HB3 PRO 533 1HB PRO 533 12.507 -3.055 1.313
196 HG2 PRO 533 2HG PRO 533 10.478 -4.371 0.196
197 HG3 PRO 533 1HG PRO 533 10.794 -2.671 -0.198
198 HD2 PRO 533 2HD PRO 533 11.467 -5.131 -1.773
199 HD3 PRO 533 1HD PRO 533 10.794 -3.586 -2.335
200 H TYR 534 H TYR 534 15.919 -2.798 -1.240
201 HA TYR 534 HA TYR 534 17.041 -5.370 -1.306
202 HB2 TYR 534 2HB TYR 534 17.905 -2.745 -1.839
203 HB3 TYR 534 1HB TYR 534 19.016 -3.372 -0.626
204 HD1 TYR 534 1HD TYR 534 17.293 -4.952 -3.546
205 HD2 TYR 534 2HD TYR 534 20.983 -4.016 -1.646
206 HE1 TYR 534 1HE TYR 534 18.501 -6.180 -5.300
207 HE2 TYR 534 2HE TYR 534 22.202 -5.242 -3.396
208 HH TYR 534 HH TYR 534 21.873 -5.966 -5.706
209 H PHE 535 H PHE 535 17.330 -2.823 1.163
210 HA PHE 535 HA PHE 535 17.960 -4.921 3.135
211 HB2 PHE 535 2HB PHE 535 19.211 -2.312 2.591
212 HB3 PHE 535 1HB PHE 535 18.880 -2.619 4.292
213 HD1 PHE 535 1HD PHE 535 20.274 -4.437 1.345
214 HD2 PHE 535 2HD PHE 535 20.555 -3.595 5.506
215 HE1 PHE 535 1HE PHE 535 22.305 -5.820 1.483
216 HE2 PHE 535 2HE PHE 535 22.586 -4.975 5.654
217 HZ PHE 535 HZ PHE 535 23.464 -6.090 3.639
218 H GLY 536 H GLY 536 15.348 -3.699 2.233
219 HA2 GLY 536 2HA GLY 536 14.479 -2.723 4.885
220 HA3 GLY 536 1HA GLY 536 13.818 -2.102 3.379
221 HA PRO 537 HA PRO 537 11.566 -6.020 4.996
222 HB2 PRO 537 2HB PRO 537 9.604 -4.941 6.524
223 HB3 PRO 537 1HB PRO 537 11.173 -5.423 7.178
224 HG2 PRO 537 2HG PRO 537 10.201 -2.696 6.405
225 HG3 PRO 537 1HG PRO 537 11.137 -3.190 7.826
226 HD2 PRO 537 2HD PRO 537 12.262 -2.037 5.640
227 HD3 PRO 537 1HD PRO 537 13.123 -3.197 6.671
228 H ALA 538 H ALA 538 9.077 -3.575 5.237
229 HA ALA 538 HA ALA 538 7.907 -4.570 2.750
230 HB1 ALA 538 1HB ALA 538 6.650 -4.569 4.968
231 HB2 ALA 538 2HB ALA 538 5.812 -3.904 3.565
232 HB3 ALA 538 3HB ALA 538 6.525 -2.822 4.760
233 H ALA 539 H ALA 539 10.061 -2.397 3.161
234 HA ALA 539 HA ALA 539 9.458 0.147 2.728
235 HB1 ALA 539 1HB ALA 539 11.238 -0.970 0.648
236 HB2 ALA 539 2HB ALA 539 11.679 -1.235 2.339
237 HB3 ALA 539 3HB ALA 539 11.471 0.407 1.728
238 H GLU 540 H GLU 540 9.115 -2.314 0.211
239 HA GLU 540 HA GLU 540 8.412 -0.602 -1.871
240 HB2 GLU 540 2HB GLU 540 7.280 -2.715 -2.810
241 HB3 GLU 540 1HB GLU 540 9.017 -2.715 -2.545
242 HG2 GLU 540 2HG GLU 540 8.825 -4.534 -1.334
243 HG3 GLU 540 1HG GLU 540 7.837 -3.648 -0.169
244 H GLY 541 H GLY 541 6.684 -1.126 0.910
245 HA2 GLY 541 2HA GLY 541 4.203 -0.242 -0.412
246 HA3 GLY 541 1HA GLY 541 4.191 -1.370 0.936
247 H ILE 542 H ILE 542 6.162 -0.155 2.515
248 HA ILE 542 HA ILE 542 4.666 2.145 3.497
249 HB ILE 542 HB ILE 542 6.234 1.851 5.531
250 HG12 ILE 542 2HG1 ILE 542 6.718 -0.701 5.765
251 HG13 ILE 542 1HG1 ILE 542 6.698 -0.699 4.009
252 HG21 ILE 542 1HG2 ILE 542 4.108 1.381 6.102
253 HG22 ILE 542 2HG2 ILE 542 4.704 -0.279 6.119
254 HG23 ILE 542 3HG2 ILE 542 3.847 0.337 4.704
255 HD11 ILE 542 3HD1 ILE 542 8.416 1.201 4.207
256 HD12 ILE 542 1HD1 ILE 542 8.936 -0.450 4.540
257 HD13 ILE 542 2HD1 ILE 542 8.598 0.655 5.872
258 H TYR 543 H TYR 543 7.647 1.433 1.926
259 HA TYR 543 HA TYR 543 8.685 4.092 2.653
260 HB2 TYR 543 2HB TYR 543 10.094 1.992 3.067
261 HB3 TYR 543 1HB TYR 543 10.262 1.899 1.316
262 HD1 TYR 543 1HD TYR 543 10.904 4.097 4.240
263 HD2 TYR 543 2HD TYR 543 11.877 3.187 0.200
264 HE1 TYR 543 1HE TYR 543 12.791 5.670 4.346
265 HE2 TYR 543 2HE TYR 543 13.768 4.756 0.295
266 HH TYR 543 HH TYR 543 14.151 7.028 2.734
267 H ALA 544 H ALA 544 7.300 2.262 0.172
268 HA ALA 544 HA ALA 544 8.364 3.886 -1.997
269 HB1 ALA 544 1HB ALA 544 8.000 2.035 -3.170
270 HB2 ALA 544 2HB ALA 544 6.273 2.144 -2.833
271 HB3 ALA 544 3HB ALA 544 7.332 1.265 -1.730
272 H GLU 545 H GLU 545 5.715 3.833 0.162
273 HA GLU 545 HA GLU 545 4.224 5.719 -1.550
274 HB2 GLU 545 2HB GLU 545 2.946 3.716 -1.216
275 HB3 GLU 545 1HB GLU 545 3.247 3.745 0.518
276 HG2 GLU 545 2HG GLU 545 1.160 4.610 0.527
277 HG3 GLU 545 1HG GLU 545 2.042 6.116 0.268
278 H GLY 546 H GLY 546 5.445 5.021 1.645
279 HA2 GLY 546 2HA GLY 546 5.432 6.236 3.610
280 HA3 GLY 546 1HA GLY 546 6.127 7.433 2.534
281 H LEU 547 H LEU 547 2.738 6.266 2.649
282 HA LEU 547 HA LEU 547 1.791 8.469 4.102
283 HB2 LEU 547 2HB LEU 547 1.756 10.108 2.624
284 HB3 LEU 547 1HB LEU 547 2.451 9.045 1.422
285 HG LEU 547 HG LEU 547 -0.468 8.782 1.738
286 HD11 LEU 547 1HD1 LEU 547 0.809 11.388 1.219
287 HD12 LEU 547 2HD1 LEU 547 -0.784 11.010 1.875
288 HD13 LEU 547 3HD1 LEU 547 -0.503 10.921 0.136
289 HD21 LEU 547 3HD2 LEU 547 -0.350 8.176 -0.433
290 HD22 LEU 547 1HD2 LEU 547 1.362 7.957 -0.064
291 HD23 LEU 547 2HD2 LEU 547 0.806 9.446 -0.832
292 H MET 548 H MET 548 0.636 6.661 1.248
293 HA MET 548 HA MET 548 -1.819 6.060 2.721
294 HB2 MET 548 2HB MET 548 -1.141 6.400 -0.091
295 HB3 MET 548 1HB MET 548 -2.060 4.929 0.192
296 HG2 MET 548 2HG MET 548 -3.734 6.435 -0.190
297 HG3 MET 548 1HG MET 548 -3.617 6.494 1.567
298 HE1 MET 548 3HE MET 548 -3.329 8.084 2.848
299 HE2 MET 548 1HE MET 548 -3.861 9.686 2.338
300 HE3 MET 548 2HE MET 548 -2.153 9.387 2.666
301 H HIS 549 H HIS 549 1.037 4.804 2.809
302 HA HIS 549 HA HIS 549 0.878 2.142 2.000
303 HB2 HIS 549 2HB HIS 549 2.676 1.763 3.685
304 HB3 HIS 549 1HB HIS 549 2.987 3.134 2.624
305 HD1 HIS 549 1HD HIS 549 4.499 3.119 5.197
306 HD2 HIS 549 2HD HIS 549 0.711 4.793 4.861
307 HE1 HIS 549 1HE HIS 549 4.320 4.762 7.091
308 HE2 HIS 549 2HE HIS 549 1.993 5.710 6.911
309 H ASN 550 H ASN 550 -0.888 3.729 4.412
310 HA ASN 550 HA ASN 550 -1.201 1.340 6.025
311 HB2 ASN 550 2HB ASN 550 -0.883 3.466 7.184
312 HB3 ASN 550 1HB ASN 550 -2.310 4.127 6.389
313 HD21 ASN 550 1HD2 ASN 550 -3.410 4.536 8.267
314 HD22 ASN 550 2HD2 ASN 550 -4.036 3.290 9.287
315 H GLN 551 H GLN 551 -3.091 3.291 3.805
316 HA GLN 551 HA GLN 551 -5.599 2.141 4.399
317 HB2 GLN 551 2HB GLN 551 -6.179 2.891 2.024
318 HB3 GLN 551 1HB GLN 551 -5.682 4.136 3.160
319 HG2 GLN 551 2HG GLN 551 -3.674 4.483 2.113
320 HG3 GLN 551 1HG GLN 551 -3.644 2.871 1.400
321 HE21 GLN 551 1HE2 GLN 551 -6.244 5.251 1.354
322 HE22 GLN 551 2HE2 GLN 551 -6.274 5.453 -0.361
323 H ASP 552 H ASP 552 -4.707 -0.069 4.668
324 HA ASP 552 HA ASP 552 -4.408 -1.534 2.152
325 HB2 ASP 552 2HB ASP 552 -3.541 -3.364 3.541
326 HB3 ASP 552 1HB ASP 552 -2.648 -1.873 3.820
327 H GLY 553 H GLY 553 -6.983 -0.549 3.402
328 HA2 GLY 553 2HA GLY 553 -9.001 -1.850 2.695
329 HA3 GLY 553 1HA GLY 553 -8.321 -3.176 3.629
330 H LEU 554 H LEU 554 -7.350 -1.421 5.739
331 HA LEU 554 HA LEU 554 -9.579 -1.459 7.464
332 HB2 LEU 554 2HB LEU 554 -7.210 0.339 7.859
333 HB3 LEU 554 1HB LEU 554 -8.162 -0.501 9.074
334 HG LEU 554 HG LEU 554 -6.962 -2.465 7.388
335 HD11 LEU 554 1HD1 LEU 554 -4.578 -1.977 7.904
336 HD12 LEU 554 2HD1 LEU 554 -5.065 -0.358 8.405
337 HD13 LEU 554 3HD1 LEU 554 -5.301 -0.872 6.735
338 HD21 LEU 554 3HD2 LEU 554 -6.469 -3.443 9.371
339 HD22 LEU 554 1HD2 LEU 554 -7.629 -2.257 9.968
340 HD23 LEU 554 2HD2 LEU 554 -5.898 -1.941 10.098
341 H ILE 555 H ILE 555 -7.889 1.160 5.827
342 HA ILE 555 HA ILE 555 -9.896 3.106 6.578
343 HB ILE 555 HB ILE 555 -7.371 3.309 4.955
344 HG12 ILE 555 2HG1 ILE 555 -6.615 2.967 7.106
345 HG13 ILE 555 1HG1 ILE 555 -6.741 4.722 7.070
346 HG21 ILE 555 1HG2 ILE 555 -8.215 5.829 5.984
347 HG22 ILE 555 2HG2 ILE 555 -9.537 5.110 5.066
348 HG23 ILE 555 3HG2 ILE 555 -7.961 5.342 4.308
349 HD11 ILE 555 3HD1 ILE 555 -9.067 4.389 8.076
350 HD12 ILE 555 1HD1 ILE 555 -7.669 4.103 9.114
351 HD13 ILE 555 2HD1 ILE 555 -8.541 2.739 8.410
352 H CYS 556 H CYS 556 -11.336 1.486 5.251
353 HA CYS 556 HA CYS 556 -11.331 1.403 2.479
354 HB2 CYS 556 2HB CYS 556 -13.507 1.183 4.532
355 HB3 CYS 556 1HB CYS 556 -13.909 1.174 2.818
356 H GLY 557 H GLY 557 -12.062 4.045 4.561
357 HA2 GLY 557 2HA GLY 557 -13.884 5.563 3.190
358 HA3 GLY 557 1HA GLY 557 -12.528 6.243 4.072
359 H LEU 558 H LEU 558 -10.645 4.811 2.191
360 HA LEU 558 HA LEU 558 -10.043 6.898 0.488
361 HB2 LEU 558 2HB LEU 558 -8.700 5.254 -0.790
362 HB3 LEU 558 1HB LEU 558 -8.431 5.184 0.941
363 HG LEU 558 HG LEU 558 -10.283 3.282 0.784
364 HD11 LEU 558 1HD1 LEU 558 -9.191 2.152 -1.516
365 HD12 LEU 558 2HD1 LEU 558 -9.592 3.810 -1.966
366 HD13 LEU 558 3HD1 LEU 558 -10.834 2.751 -1.299
367 HD21 LEU 558 3HD2 LEU 558 -7.343 3.041 0.190
368 HD22 LEU 558 1HD2 LEU 558 -8.385 1.653 0.500
369 HD23 LEU 558 2HD2 LEU 558 -8.155 2.878 1.747
370 H ARG 559 H ARG 559 -11.969 4.007 -0.192
371 HA ARG 559 HA ARG 559 -13.448 3.501 -1.843
372 HB2 ARG 559 2HB ARG 559 -13.633 6.479 -1.682
373 HB3 ARG 559 1HB ARG 559 -14.449 5.651 -3.001
374 HG2 ARG 559 2HG ARG 559 -16.034 5.941 -1.268
375 HG3 ARG 559 1HG ARG 559 -15.593 4.232 -1.284
376 HD2 ARG 559 2HD ARG 559 -13.849 4.916 0.497
377 HD3 ARG 559 1HD ARG 559 -14.836 6.361 0.680
378 HE ARG 559 HE ARG 559 -15.572 3.633 1.396
379 HH11 ARG 559 1HH1 ARG 559 -16.532 6.981 1.100
380 HH12 ARG 559 2HH1 ARG 559 -17.896 6.808 2.151
381 HH21 ARG 559 1HH2 ARG 559 -17.367 3.411 2.772
382 HH22 ARG 559 2HH2 ARG 559 -18.371 4.784 3.099
383 H GLN 560 H GLN 560 -13.891 3.775 -4.254
384 HA GLN 560 HA GLN 560 -13.145 3.659 -6.399
385 HB2 GLN 560 2HB GLN 560 -10.964 5.596 -5.651
386 HB3 GLN 560 1HB GLN 560 -11.733 5.377 -7.216
387 HG2 GLN 560 2HG GLN 560 -12.976 7.135 -6.684
388 HG3 GLN 560 1HG GLN 560 -13.839 6.052 -5.594
389 HE21 GLN 560 1HE2 GLN 560 -14.309 7.417 -3.969
390 HE22 GLN 560 2HE2 GLN 560 -13.131 8.246 -3.016
Start of MODEL 5
1 H1 ALA 507 1HT ALA 507 -21.437 4.436 -3.796
2 H2 ALA 507 2HT ALA 507 -21.397 2.731 -3.592
3 H3 ALA 507 3HT ALA 507 -20.931 3.430 -5.089
4 HA ALA 507 HA ALA 507 -19.000 4.278 -4.253
5 HB1 ALA 507 2HB ALA 507 -18.850 3.686 -1.560
6 HB2 ALA 507 3HB ALA 507 -20.498 4.282 -1.770
7 HB3 ALA 507 1HB ALA 507 -19.130 5.277 -2.267
8 H GLN 508 H GLN 508 -17.271 2.989 -4.457
9 HA GLN 508 HA GLN 508 -17.481 0.234 -3.461
10 HB2 GLN 508 2HB GLN 508 -16.716 1.189 -6.196
11 HB3 GLN 508 1HB GLN 508 -16.016 -0.297 -5.569
12 HG2 GLN 508 2HG GLN 508 -17.866 -1.446 -5.980
13 HG3 GLN 508 1HG GLN 508 -18.879 -0.236 -5.195
14 HE21 GLN 508 1HE2 GLN 508 -20.499 -0.289 -6.700
15 HE22 GLN 508 2HE2 GLN 508 -20.311 0.291 -8.315
16 HA PRO 509 HA PRO 509 -13.519 2.079 -2.043
17 HB2 PRO 509 2HB PRO 509 -13.870 1.851 0.583
18 HB3 PRO 509 1HB PRO 509 -14.677 3.132 -0.328
19 HG2 PRO 509 2HG PRO 509 -15.780 0.544 0.685
20 HG3 PRO 509 1HG PRO 509 -16.532 2.147 0.664
21 HD2 PRO 509 2HD PRO 509 -16.984 0.139 -1.204
22 HD3 PRO 509 1HD PRO 509 -17.319 1.864 -1.454
23 H LYS 510 H LYS 510 -13.272 -0.262 -3.178
24 HA LYS 510 HA LYS 510 -12.595 -2.476 -3.028
25 HB2 LYS 510 2HB LYS 510 -10.327 -2.443 -1.665
26 HB3 LYS 510 1HB LYS 510 -10.479 -1.671 -3.236
27 HG2 LYS 510 2HG LYS 510 -10.022 0.328 -2.386
28 HG3 LYS 510 1HG LYS 510 -11.227 0.135 -1.114
29 HD2 LYS 510 2HD LYS 510 -9.049 -1.552 -0.475
30 HD3 LYS 510 1HD LYS 510 -8.389 0.026 -0.911
31 HE2 LYS 510 2HE LYS 510 -10.422 0.823 0.631
32 HE3 LYS 510 1HE LYS 510 -10.125 -0.754 1.360
33 HZ1 LYS 510 3HZ LYS 510 -7.732 0.780 0.891
34 HZ2 LYS 510 1HZ LYS 510 -8.233 -0.046 2.280
35 HZ3 LYS 510 2HZ LYS 510 -8.802 1.516 1.976
36 H CYS 511 H CYS 511 -11.280 -1.770 0.092
37 HA CYS 511 HA CYS 511 -11.709 -2.533 2.190
38 HB2 CYS 511 2HB CYS 511 -14.271 -2.491 0.967
39 HB3 CYS 511 1HB CYS 511 -14.149 -3.990 1.883
40 H ASN 512 H ASN 512 -9.899 -3.895 1.608
41 HA ASN 512 HA ASN 512 -10.504 -6.672 2.091
42 HB2 ASN 512 2HB ASN 512 -9.519 -5.696 -0.551
43 HB3 ASN 512 1HB ASN 512 -8.834 -7.191 0.080
44 HD21 ASN 512 1HD2 ASN 512 -10.339 -7.046 -2.259
45 HD22 ASN 512 2HD2 ASN 512 -11.810 -7.921 -2.024
46 HA PRO 513 HA PRO 513 -6.730 -4.964 4.199
47 HB2 PRO 513 2HB PRO 513 -7.661 -6.852 6.271
48 HB3 PRO 513 1HB PRO 513 -7.222 -5.148 6.419
49 HG2 PRO 513 2HG PRO 513 -9.774 -5.951 6.559
50 HG3 PRO 513 1HG PRO 513 -9.321 -4.414 5.798
51 HD2 PRO 513 2HD PRO 513 -10.059 -7.020 4.523
52 HD3 PRO 513 1HD PRO 513 -10.486 -5.364 4.037
53 H ASN 514 H ASN 514 -7.845 -8.081 3.283
54 HA ASN 514 HA ASN 514 -5.802 -9.736 4.193
55 HB2 ASN 514 2HB ASN 514 -7.791 -10.682 3.243
56 HB3 ASN 514 1HB ASN 514 -7.509 -9.876 1.705
57 HD21 ASN 514 1HD2 ASN 514 -7.555 -11.802 0.564
58 HD22 ASN 514 2HD2 ASN 514 -6.270 -12.954 0.640
59 H LEU 515 H LEU 515 -5.990 -7.798 1.224
60 HA LEU 515 HA LEU 515 -3.388 -8.676 0.341
61 HB2 LEU 515 2HB LEU 515 -3.709 -7.044 -1.481
62 HB3 LEU 515 1HB LEU 515 -5.032 -8.184 -1.337
63 HG LEU 515 HG LEU 515 -5.690 -5.894 0.223
64 HD11 LEU 515 1HD1 LEU 515 -3.949 -4.869 -1.367
65 HD12 LEU 515 2HD1 LEU 515 -5.522 -4.085 -1.228
66 HD13 LEU 515 3HD1 LEU 515 -5.167 -5.109 -2.619
67 HD21 LEU 515 3HD2 LEU 515 -7.179 -7.555 -0.944
68 HD22 LEU 515 1HD2 LEU 515 -6.815 -6.706 -2.447
69 HD23 LEU 515 2HD2 LEU 515 -7.633 -5.861 -1.134
70 H HIS 516 H HIS 516 -2.341 -8.011 2.386
71 HA HIS 516 HA HIS 516 -1.945 -5.154 2.744
72 HB2 HIS 516 2HB HIS 516 -0.560 -5.871 4.703
73 HB3 HIS 516 1HB HIS 516 -2.230 -6.425 4.758
74 HD1 HIS 516 1HD HIS 516 1.277 -7.647 4.472
75 HD2 HIS 516 2HD HIS 516 -2.574 -9.209 4.493
76 HE1 HIS 516 1HE HIS 516 1.559 -10.130 4.760
77 HE2 HIS 516 2HE HIS 516 -0.787 -11.042 4.861
78 H TYR 517 H TYR 517 -0.548 -7.542 0.873
79 HA TYR 517 HA TYR 517 2.198 -6.796 1.126
80 HB2 TYR 517 2HB TYR 517 0.816 -8.292 -1.110
81 HB3 TYR 517 1HB TYR 517 2.553 -8.222 -0.827
82 HD1 TYR 517 1HD TYR 517 3.122 -8.865 1.785
83 HD2 TYR 517 2HD TYR 517 -0.174 -10.275 -0.507
84 HE1 TYR 517 1HE TYR 517 2.969 -10.846 3.235
85 HE2 TYR 517 2HE TYR 517 -0.337 -12.258 0.937
86 HH TYR 517 HH TYR 517 1.364 -12.524 3.896
87 H TRP 518 H TRP 518 -0.474 -5.736 -0.883
88 HA TRP 518 HA TRP 518 1.369 -3.873 -2.235
89 HB2 TRP 518 2HB TRP 518 -1.007 -5.381 -3.242
90 HB3 TRP 518 1HB TRP 518 -0.618 -3.820 -3.960
91 HD1 TRP 518 HD TRP 518 1.704 -3.642 -5.324
92 HE1 TRP 518 1HE TRP 518 3.149 -5.447 -6.454
93 HE3 TRP 518 3HE TRP 518 -0.240 -7.784 -3.043
94 HZ2 TRP 518 2HZ TRP 518 3.429 -8.254 -6.387
95 HZ3 TRP 518 3HZ TRP 518 0.672 -9.991 -3.632
96 HH2 TRP 518 HH TRP 518 2.468 -10.220 -5.270
97 H THR 519 H THR 519 -0.893 -3.954 0.132
98 HA THR 519 HA THR 519 -2.327 -2.473 1.079
99 HB THR 519 HB THR 519 -1.387 -0.413 1.563
100 HG1 THR 519 1HG THR 519 0.150 -0.152 -0.744
101 HG21 THR 519 3HG2 THR 519 1.098 -0.559 1.384
102 HG22 THR 519 1HG2 THR 519 0.883 -2.055 0.476
103 HG23 THR 519 2HG2 THR 519 0.318 -1.946 2.144
104 H THR 520 H THR 520 -1.495 -0.440 -1.734
105 HA THR 520 HA THR 520 -3.782 -0.940 -3.251
106 HB THR 520 HB THR 520 -4.080 1.149 -1.126
107 HG1 THR 520 1HG THR 520 -5.949 0.159 -0.823
108 HG21 THR 520 3HG2 THR 520 -5.226 1.342 -3.885
109 HG22 THR 520 1HG2 THR 520 -4.389 2.578 -2.946
110 HG23 THR 520 2HG2 THR 520 -6.014 2.069 -2.481
111 H GLN 521 H GLN 521 -2.088 1.974 -2.108
112 HA GLN 521 HA GLN 521 -1.674 2.949 -4.768
113 HB2 GLN 521 2HB GLN 521 -0.535 3.797 -2.102
114 HB3 GLN 521 1HB GLN 521 -0.190 4.625 -3.616
115 HG2 GLN 521 2HG GLN 521 -2.936 4.512 -3.583
116 HG3 GLN 521 1HG GLN 521 -2.522 4.778 -1.890
117 HE21 GLN 521 1HE2 GLN 521 -2.321 6.806 -1.303
118 HE22 GLN 521 2HE2 GLN 521 -1.930 8.136 -2.333
119 H ASP 522 H ASP 522 -0.245 0.597 -2.875
120 HA ASP 522 HA ASP 522 2.342 0.881 -4.100
121 HB2 ASP 522 2HB ASP 522 1.313 -1.041 -2.024
122 HB3 ASP 522 1HB ASP 522 2.931 -1.140 -2.707
123 H GLU 523 H GLU 523 -0.579 -0.559 -4.792
124 HA GLU 523 HA GLU 523 -0.124 -3.040 -5.802
125 HB2 GLU 523 2HB GLU 523 -1.998 -2.709 -7.234
126 HB3 GLU 523 1HB GLU 523 -2.289 -1.752 -5.788
127 HG2 GLU 523 2HG GLU 523 -2.642 0.009 -7.068
128 HG3 GLU 523 1HG GLU 523 -0.958 -0.060 -7.585
129 H GLY 524 H GLY 524 1.073 -0.030 -7.080
130 HA2 GLY 524 2HA GLY 524 3.178 -0.769 -8.471
131 HA3 GLY 524 1HA GLY 524 1.919 -1.317 -9.566
132 H ALA 525 H ALA 525 1.971 1.601 -7.560
133 HA ALA 525 HA ALA 525 1.559 3.161 -10.002
134 HB1 ALA 525 1HB ALA 525 1.277 4.505 -7.400
135 HB2 ALA 525 2HB ALA 525 0.137 3.197 -7.715
136 HB3 ALA 525 3HB ALA 525 0.243 4.561 -8.828
137 H ALA 526 H ALA 526 3.270 3.614 -6.899
138 HA ALA 526 HA ALA 526 5.483 4.816 -8.407
139 HB1 ALA 526 1HB ALA 526 3.793 6.375 -6.996
140 HB2 ALA 526 2HB ALA 526 5.498 6.753 -7.242
141 HB3 ALA 526 3HB ALA 526 4.973 5.976 -5.748
142 H ILE 527 H ILE 527 5.240 2.210 -7.539
143 HA ILE 527 HA ILE 527 6.861 1.997 -5.143
144 HB ILE 527 HB ILE 527 6.397 -0.450 -5.372
145 HG12 ILE 527 2HG1 ILE 527 4.516 -1.066 -6.904
146 HG13 ILE 527 1HG1 ILE 527 4.616 0.533 -7.633
147 HG21 ILE 527 1HG2 ILE 527 4.368 1.694 -5.040
148 HG22 ILE 527 2HG2 ILE 527 5.006 0.546 -3.855
149 HG23 ILE 527 3HG2 ILE 527 3.815 0.019 -5.043
150 HD11 ILE 527 3HD1 ILE 527 6.451 0.007 -8.832
151 HD12 ILE 527 1HD1 ILE 527 5.818 -1.626 -8.636
152 HD13 ILE 527 2HD1 ILE 527 7.107 -1.048 -7.582
153 H GLY 528 H GLY 528 7.478 2.338 -8.358
154 HA2 GLY 528 2HA GLY 528 9.317 0.366 -9.003
155 HA3 GLY 528 1HA GLY 528 9.335 1.996 -9.648
156 H LEU 529 H LEU 529 9.713 2.848 -6.632
157 HA LEU 529 HA LEU 529 12.626 2.593 -6.808
158 HB2 LEU 529 2HB LEU 529 12.496 4.401 -4.949
159 HB3 LEU 529 1HB LEU 529 12.211 4.833 -6.623
160 HG LEU 529 HG LEU 529 9.678 4.387 -5.907
161 HD11 LEU 529 1HD1 LEU 529 11.066 5.192 -3.360
162 HD12 LEU 529 2HD1 LEU 529 10.149 3.714 -3.647
163 HD13 LEU 529 3HD1 LEU 529 9.324 5.273 -3.630
164 HD21 LEU 529 3HD2 LEU 529 10.690 6.986 -4.958
165 HD22 LEU 529 1HD2 LEU 529 9.429 6.617 -6.133
166 HD23 LEU 529 2HD2 LEU 529 11.126 6.538 -6.608
167 H ALA 530 H ALA 530 9.948 1.846 -4.668
168 HA ALA 530 HA ALA 530 11.836 0.791 -2.682
169 HB1 ALA 530 1HB ALA 530 9.633 2.334 -2.339
170 HB2 ALA 530 2HB ALA 530 10.370 1.334 -1.089
171 HB3 ALA 530 3HB ALA 530 8.995 0.724 -2.013
172 H TRP 531 H TRP 531 10.275 -0.391 -5.308
173 HA TRP 531 HA TRP 531 9.117 -2.763 -4.230
174 HB2 TRP 531 2HB TRP 531 8.466 -1.722 -6.396
175 HB3 TRP 531 1HB TRP 531 10.000 -2.259 -7.071
176 HD1 TRP 531 HD TRP 531 6.728 -3.714 -5.628
177 HE1 TRP 531 1HE TRP 531 6.374 -6.055 -6.635
178 HE3 TRP 531 3HE TRP 531 11.119 -4.159 -8.209
179 HZ2 TRP 531 2HZ TRP 531 7.771 -7.853 -8.303
180 HZ3 TRP 531 3HZ TRP 531 11.532 -6.222 -9.485
181 HH2 TRP 531 HH TRP 531 9.892 -8.030 -9.530
182 H ILE 532 H ILE 532 11.904 -2.307 -3.428
183 HA ILE 532 HA ILE 532 12.852 -4.972 -3.903
184 HB ILE 532 HB ILE 532 15.100 -4.259 -4.693
185 HG12 ILE 532 2HG1 ILE 532 14.268 -1.739 -5.848
186 HG13 ILE 532 1HG1 ILE 532 14.133 -1.691 -4.093
187 HG21 ILE 532 1HG2 ILE 532 13.349 -5.120 -6.221
188 HG22 ILE 532 2HG2 ILE 532 14.491 -4.030 -7.007
189 HG23 ILE 532 3HG2 ILE 532 12.883 -3.454 -6.566
190 HD11 ILE 532 3HD1 ILE 532 16.520 -1.854 -5.810
191 HD12 ILE 532 1HD1 ILE 532 16.561 -2.784 -4.312
192 HD13 ILE 532 2HD1 ILE 532 16.281 -1.044 -4.262
193 HA PRO 533 HA PRO 533 13.385 -3.263 0.437
194 HB2 PRO 533 2HB PRO 533 13.691 -6.233 0.629
195 HB3 PRO 533 1HB PRO 533 12.874 -5.115 1.727
196 HG2 PRO 533 2HG PRO 533 11.507 -6.635 -0.013
197 HG3 PRO 533 1HG PRO 533 10.982 -5.000 0.418
198 HD2 PRO 533 2HD PRO 533 12.142 -5.996 -2.103
199 HD3 PRO 533 1HD PRO 533 11.147 -4.556 -1.809
200 H TYR 534 H TYR 534 15.420 -2.329 -0.227
201 HA TYR 534 HA TYR 534 17.729 -4.122 -0.236
202 HB2 TYR 534 2HB TYR 534 17.357 -2.255 -1.962
203 HB3 TYR 534 1HB TYR 534 17.808 -1.145 -0.672
204 HD1 TYR 534 1HD TYR 534 20.096 -1.437 0.411
205 HD2 TYR 534 2HD TYR 534 18.999 -3.353 -3.226
206 HE1 TYR 534 1HE TYR 534 22.472 -1.790 -0.113
207 HE2 TYR 534 2HE TYR 534 21.373 -3.710 -3.760
208 HH TYR 534 HH TYR 534 23.848 -3.311 -1.490
209 H PHE 535 H PHE 535 16.684 -1.122 1.376
210 HA PHE 535 HA PHE 535 18.791 -0.920 3.183
211 HB2 PHE 535 2HB PHE 535 16.700 0.644 2.623
212 HB3 PHE 535 1HB PHE 535 16.086 -0.090 4.099
213 HD1 PHE 535 2HD PHE 535 17.850 -0.123 6.088
214 HD2 PHE 535 1HD PHE 535 17.891 2.591 2.811
215 HE1 PHE 535 2HE PHE 535 19.165 1.467 7.427
216 HE2 PHE 535 1HE PHE 535 19.208 4.186 4.143
217 HZ PHE 535 HZ PHE 535 19.846 3.626 6.454
218 H GLY 536 H GLY 536 15.835 -2.824 3.367
219 HA2 GLY 536 2HA GLY 536 16.506 -4.900 4.821
220 HA3 GLY 536 1HA GLY 536 16.527 -3.679 6.083
221 HA PRO 537 HA PRO 537 12.185 -3.839 6.826
222 HB2 PRO 537 2HB PRO 537 11.182 -1.407 5.943
223 HB3 PRO 537 1HB PRO 537 11.899 -1.697 7.531
224 HG2 PRO 537 2HG PRO 537 13.136 -0.528 5.077
225 HG3 PRO 537 1HG PRO 537 13.342 -0.055 6.774
226 HD2 PRO 537 2HD PRO 537 15.212 -1.480 5.512
227 HD3 PRO 537 1HD PRO 537 14.809 -1.805 7.211
228 H ALA 538 H ALA 538 9.973 -3.046 5.641
229 HA ALA 538 HA ALA 538 9.759 -4.732 3.390
230 HB1 ALA 538 1HB ALA 538 7.832 -4.361 4.770
231 HB2 ALA 538 2HB ALA 538 7.480 -3.754 3.152
232 HB3 ALA 538 3HB ALA 538 7.877 -2.627 4.450
233 H ALA 539 H ALA 539 9.604 -1.200 3.680
234 HA ALA 539 HA ALA 539 10.174 0.488 2.234
235 HB1 ALA 539 1HB ALA 539 11.799 0.113 0.564
236 HB2 ALA 539 2HB ALA 539 11.408 -1.608 0.479
237 HB3 ALA 539 3HB ALA 539 12.211 -0.952 1.909
238 H GLU 540 H GLU 540 9.259 -2.408 0.472
239 HA GLU 540 HA GLU 540 8.325 -1.593 -1.880
240 HB2 GLU 540 2HB GLU 540 7.656 -3.703 -0.002
241 HB3 GLU 540 1HB GLU 540 6.320 -3.317 -1.083
242 HG2 GLU 540 2HG GLU 540 8.894 -3.554 -2.440
243 HG3 GLU 540 1HG GLU 540 8.388 -5.029 -1.617
244 H GLY 541 H GLY 541 6.842 -0.800 1.177
245 HA2 GLY 541 2HA GLY 541 4.785 0.718 -0.299
246 HA3 GLY 541 1HA GLY 541 4.421 -0.124 1.201
247 H ILE 542 H ILE 542 6.671 0.498 2.673
248 HA ILE 542 HA ILE 542 6.016 3.088 3.628
249 HB ILE 542 HB ILE 542 8.099 2.750 5.076
250 HG12 ILE 542 2HG1 ILE 542 8.193 -0.073 4.880
251 HG13 ILE 542 1HG1 ILE 542 8.394 0.550 3.247
252 HG21 ILE 542 1HG2 ILE 542 6.904 0.848 6.346
253 HG22 ILE 542 2HG2 ILE 542 5.674 0.997 5.091
254 HG23 ILE 542 3HG2 ILE 542 6.059 2.380 6.116
255 HD11 ILE 542 3HD1 ILE 542 10.551 0.368 4.067
256 HD12 ILE 542 1HD1 ILE 542 10.108 1.014 5.648
257 HD13 ILE 542 2HD1 ILE 542 10.170 2.082 4.247
258 H TYR 543 H TYR 543 8.430 1.940 1.375
259 HA TYR 543 HA TYR 543 9.657 4.622 1.392
260 HB2 TYR 543 2HB TYR 543 10.819 1.998 1.342
261 HB3 TYR 543 1HB TYR 543 11.249 2.846 -0.138
262 HD1 TYR 543 1HD TYR 543 11.673 5.560 0.589
263 HD2 TYR 543 2HD TYR 543 12.563 2.064 2.844
264 HE1 TYR 543 1HE TYR 543 13.421 6.794 1.800
265 HE2 TYR 543 2HE TYR 543 14.314 3.288 4.062
266 HH TYR 543 HH TYR 543 15.645 6.064 3.072
267 H ALA 544 H ALA 544 7.580 2.630 -0.286
268 HA ALA 544 HA ALA 544 8.199 3.790 -2.911
269 HB1 ALA 544 1HB ALA 544 7.793 1.665 -3.481
270 HB2 ALA 544 2HB ALA 544 6.089 2.058 -3.242
271 HB3 ALA 544 3HB ALA 544 7.016 1.313 -1.938
272 H GLU 545 H GLU 545 5.795 3.616 -0.374
273 HA GLU 545 HA GLU 545 4.180 5.642 -1.793
274 HB2 GLU 545 2HB GLU 545 2.973 3.553 -1.571
275 HB3 GLU 545 1HB GLU 545 3.322 3.497 0.152
276 HG2 GLU 545 2HG GLU 545 1.118 4.239 0.030
277 HG3 GLU 545 1HG GLU 545 2.057 5.709 0.305
278 H GLY 546 H GLY 546 5.600 4.628 1.229
279 HA2 GLY 546 2HA GLY 546 5.750 5.634 3.295
280 HA3 GLY 546 1HA GLY 546 6.265 6.989 2.308
281 H LEU 547 H LEU 547 2.971 5.600 2.537
282 HA LEU 547 HA LEU 547 2.030 7.518 4.346
283 HB2 LEU 547 2HB LEU 547 1.800 9.346 3.132
284 HB3 LEU 547 1HB LEU 547 2.464 8.511 1.746
285 HG LEU 547 HG LEU 547 -0.413 8.039 2.203
286 HD11 LEU 547 1HD1 LEU 547 0.183 10.643 0.951
287 HD12 LEU 547 2HD1 LEU 547 0.277 10.569 2.710
288 HD13 LEU 547 3HD1 LEU 547 -1.219 10.124 1.889
289 HD21 LEU 547 3HD2 LEU 547 0.667 9.112 -0.322
290 HD22 LEU 547 1HD2 LEU 547 -0.423 7.755 -0.039
291 HD23 LEU 547 2HD2 LEU 547 1.314 7.555 0.195
292 H MET 548 H MET 548 0.743 6.061 1.345
293 HA MET 548 HA MET 548 -1.571 5.157 2.879
294 HB2 MET 548 2HB MET 548 -1.116 5.903 0.106
295 HB3 MET 548 1HB MET 548 -1.959 4.367 0.240
296 HG2 MET 548 2HG MET 548 -3.722 5.812 0.208
297 HG3 MET 548 1HG MET 548 -3.448 5.684 1.944
298 HE1 MET 548 3HE MET 548 -4.101 9.324 2.430
299 HE2 MET 548 1HE MET 548 -3.873 7.772 3.237
300 HE3 MET 548 2HE MET 548 -5.048 7.922 1.930
301 H HIS 549 H HIS 549 1.322 3.975 2.607
302 HA HIS 549 HA HIS 549 1.090 1.428 1.459
303 HB2 HIS 549 2HB HIS 549 3.094 0.865 2.697
304 HB3 HIS 549 1HB HIS 549 3.235 2.510 2.088
305 HD1 HIS 549 1HD HIS 549 3.515 0.551 5.127
306 HD2 HIS 549 2HD HIS 549 2.696 4.512 4.178
307 HE1 HIS 549 1HE HIS 549 3.883 1.841 7.254
308 HE2 HIS 549 2HE HIS 549 3.321 4.227 6.672
309 H ASN 550 H ASN 550 -0.418 2.692 4.204
310 HA ASN 550 HA ASN 550 -0.629 0.104 5.514
311 HB2 ASN 550 2HB ASN 550 -1.168 2.926 6.310
312 HB3 ASN 550 1HB ASN 550 -2.045 1.644 7.143
313 HD21 ASN 550 1HD2 ASN 550 0.016 3.520 8.088
314 HD22 ASN 550 2HD2 ASN 550 1.269 2.534 8.755
315 H GLN 551 H GLN 551 -2.579 2.351 3.689
316 HA GLN 551 HA GLN 551 -5.096 1.228 4.358
317 HB2 GLN 551 2HB GLN 551 -5.927 2.422 2.349
318 HB3 GLN 551 1HB GLN 551 -4.995 3.451 3.428
319 HG2 GLN 551 2HG GLN 551 -3.335 3.753 1.936
320 HG3 GLN 551 1HG GLN 551 -3.505 2.140 1.247
321 HE21 GLN 551 1HE2 GLN 551 -3.302 3.194 -0.812
322 HE22 GLN 551 2HE2 GLN 551 -4.679 3.947 -1.534
323 H ASP 552 H ASP 552 -4.290 -1.034 4.195
324 HA ASP 552 HA ASP 552 -4.176 -2.092 1.479
325 HB2 ASP 552 2HB ASP 552 -3.622 -4.243 2.638
326 HB3 ASP 552 1HB ASP 552 -2.481 -2.939 2.958
327 H GLY 553 H GLY 553 -6.664 -1.069 2.877
328 HA2 GLY 553 2HA GLY 553 -8.790 -2.024 1.960
329 HA3 GLY 553 1HA GLY 553 -8.261 -3.544 2.668
330 H LEU 554 H LEU 554 -7.142 -2.134 5.009
331 HA LEU 554 HA LEU 554 -9.339 -2.326 6.755
332 HB2 LEU 554 2HB LEU 554 -6.881 -0.691 7.307
333 HB3 LEU 554 1HB LEU 554 -7.861 -1.599 8.446
334 HG LEU 554 HG LEU 554 -6.659 -3.311 6.415
335 HD11 LEU 554 1HD1 LEU 554 -4.376 -3.149 7.184
336 HD12 LEU 554 2HD1 LEU 554 -4.808 -1.838 8.283
337 HD13 LEU 554 3HD1 LEU 554 -4.900 -1.593 6.538
338 HD21 LEU 554 3HD2 LEU 554 -6.147 -3.452 9.351
339 HD22 LEU 554 1HD2 LEU 554 -6.379 -4.756 8.186
340 HD23 LEU 554 2HD2 LEU 554 -7.759 -3.802 8.728
341 H ILE 555 H ILE 555 -7.514 0.483 5.651
342 HA ILE 555 HA ILE 555 -9.299 2.410 6.732
343 HB ILE 555 HB ILE 555 -7.092 2.572 4.705
344 HG12 ILE 555 2HG1 ILE 555 -5.867 2.247 6.573
345 HG13 ILE 555 1HG1 ILE 555 -6.207 3.946 6.874
346 HG21 ILE 555 1HG2 ILE 555 -7.539 5.100 5.909
347 HG22 ILE 555 2HG2 ILE 555 -9.074 4.520 5.266
348 HG23 ILE 555 3HG2 ILE 555 -7.668 4.651 4.209
349 HD11 ILE 555 3HD1 ILE 555 -6.567 2.602 8.862
350 HD12 ILE 555 1HD1 ILE 555 -7.742 1.611 7.996
351 HD13 ILE 555 2HD1 ILE 555 -8.081 3.315 8.305
352 H CYS 556 H CYS 556 -11.149 1.184 5.704
353 HA CYS 556 HA CYS 556 -11.653 1.470 2.919
354 HB2 CYS 556 2HB CYS 556 -12.680 -0.134 4.803
355 HB3 CYS 556 1HB CYS 556 -13.924 1.111 4.800
356 H GLY 557 H GLY 557 -11.692 3.728 5.389
357 HA2 GLY 557 2HA GLY 557 -13.997 5.235 4.860
358 HA3 GLY 557 1HA GLY 557 -12.525 5.849 5.588
359 H LEU 558 H LEU 558 -11.537 4.665 2.705
360 HA LEU 558 HA LEU 558 -11.218 7.247 1.572
361 HB2 LEU 558 2HB LEU 558 -10.214 6.006 -0.333
362 HB3 LEU 558 1HB LEU 558 -9.511 5.623 1.228
363 HG LEU 558 HG LEU 558 -11.109 3.605 1.243
364 HD11 LEU 558 1HD1 LEU 558 -11.449 2.854 -1.220
365 HD12 LEU 558 2HD1 LEU 558 -11.371 4.581 -1.567
366 HD13 LEU 558 3HD1 LEU 558 -12.606 3.957 -0.474
367 HD21 LEU 558 3HD2 LEU 558 -8.782 3.237 1.055
368 HD22 LEU 558 1HD2 LEU 558 -8.738 3.871 -0.590
369 HD23 LEU 558 2HD2 LEU 558 -9.523 2.327 -0.261
370 H ARG 559 H ARG 559 -13.836 5.118 1.470
371 HA ARG 559 HA ARG 559 -14.806 5.104 -1.075
372 HB2 ARG 559 2HB ARG 559 -17.102 5.237 -0.080
373 HB3 ARG 559 1HB ARG 559 -16.055 4.027 0.648
374 HG2 ARG 559 2HG ARG 559 -16.090 6.695 1.916
375 HG3 ARG 559 1HG ARG 559 -17.542 5.704 2.078
376 HD2 ARG 559 2HD ARG 559 -15.778 3.840 2.685
377 HD3 ARG 559 1HD ARG 559 -14.792 5.237 3.106
378 HE ARG 559 HE ARG 559 -17.095 4.247 4.519
379 HH11 ARG 559 1HH1 ARG 559 -15.071 7.028 3.926
380 HH12 ARG 559 2HH1 ARG 559 -15.491 7.806 5.415
381 HH21 ARG 559 1HH2 ARG 559 -17.648 5.269 6.476
382 HH22 ARG 559 2HH2 ARG 559 -16.954 6.808 6.862
383 H GLN 560 H GLN 560 -16.631 6.414 -2.010
384 HA GLN 560 HA GLN 560 -17.453 8.359 -2.851
385 HB2 GLN 560 2HB GLN 560 -16.353 9.724 -0.394
386 HB3 GLN 560 1HB GLN 560 -17.654 10.284 -1.436
387 HG2 GLN 560 2HG GLN 560 -19.192 8.994 -0.434
388 HG3 GLN 560 1HG GLN 560 -18.076 7.647 -0.213
389 HE21 GLN 560 1HE2 GLN 560 -16.115 8.601 1.289
390 HE22 GLN 560 2HE2 GLN 560 -16.697 9.173 2.811
Start of MODEL 6
1 H1 ALA 507 1HT ALA 507 -19.565 5.552 -1.444
2 H2 ALA 507 2HT ALA 507 -19.126 7.211 -1.403
3 H3 ALA 507 3HT ALA 507 -18.431 6.110 -0.286
4 HA ALA 507 HA ALA 507 -17.926 6.453 -3.139
5 HB1 ALA 507 2HB ALA 507 -15.660 6.526 -2.472
6 HB2 ALA 507 3HB ALA 507 -16.049 5.939 -0.856
7 HB3 ALA 507 1HB ALA 507 -16.559 7.553 -1.353
8 H GLN 508 H GLN 508 -16.610 4.841 -4.180
9 HA GLN 508 HA GLN 508 -16.899 2.153 -3.039
10 HB2 GLN 508 2HB GLN 508 -17.230 2.747 -5.979
11 HB3 GLN 508 1HB GLN 508 -17.544 1.229 -5.150
12 HG2 GLN 508 2HG GLN 508 -19.099 3.455 -4.097
13 HG3 GLN 508 1HG GLN 508 -19.410 3.124 -5.801
14 HE21 GLN 508 1HE2 GLN 508 -20.767 1.540 -6.286
15 HE22 GLN 508 2HE2 GLN 508 -21.349 0.340 -5.188
16 HA PRO 509 HA PRO 509 -12.501 2.950 -4.223
17 HB2 PRO 509 2HB PRO 509 -11.922 1.557 -1.715
18 HB3 PRO 509 1HB PRO 509 -11.431 3.172 -2.232
19 HG2 PRO 509 2HG PRO 509 -13.237 2.768 -0.263
20 HG3 PRO 509 1HG PRO 509 -13.305 4.170 -1.347
21 HD2 PRO 509 2HD PRO 509 -14.900 1.635 -1.425
22 HD3 PRO 509 1HD PRO 509 -15.430 3.310 -1.697
23 H LYS 510 H LYS 510 -13.239 0.107 -2.232
24 HA LYS 510 HA LYS 510 -13.368 -1.831 -4.157
25 HB2 LYS 510 2HB LYS 510 -11.152 -2.809 -4.237
26 HB3 LYS 510 1HB LYS 510 -11.092 -1.145 -4.790
27 HG2 LYS 510 2HG LYS 510 -10.584 -1.464 -1.930
28 HG3 LYS 510 1HG LYS 510 -9.404 -2.258 -2.973
29 HD2 LYS 510 2HD LYS 510 -8.561 -0.307 -3.715
30 HD3 LYS 510 1HD LYS 510 -10.149 0.458 -3.805
31 HE2 LYS 510 2HE LYS 510 -10.098 0.634 -1.303
32 HE3 LYS 510 1HE LYS 510 -8.422 0.090 -1.364
33 HZ1 LYS 510 3HZ LYS 510 -8.494 2.127 -3.158
34 HZ2 LYS 510 1HZ LYS 510 -7.933 2.239 -1.566
35 HZ3 LYS 510 2HZ LYS 510 -9.524 2.676 -1.934
36 H CYS 511 H CYS 511 -12.246 -0.942 -1.023
37 HA CYS 511 HA CYS 511 -12.172 -2.022 0.995
38 HB2 CYS 511 2HB CYS 511 -14.808 -1.977 -0.070
39 HB3 CYS 511 1HB CYS 511 -14.614 -3.492 0.803
40 H ASN 512 H ASN 512 -10.399 -3.381 -0.047
41 HA ASN 512 HA ASN 512 -11.182 -6.221 0.053
42 HB2 ASN 512 2HB ASN 512 -9.357 -4.753 -1.792
43 HB3 ASN 512 1HB ASN 512 -8.913 -6.394 -1.334
44 HD21 ASN 512 1HD2 ASN 512 -9.798 -5.211 -3.901
45 HD22 ASN 512 2HD2 ASN 512 -11.141 -6.174 -4.404
46 HA PRO 513 HA PRO 513 -8.288 -5.383 3.576
47 HB2 PRO 513 2HB PRO 513 -9.531 -7.085 5.295
48 HB3 PRO 513 1HB PRO 513 -10.012 -5.398 5.084
49 HG2 PRO 513 2HG PRO 513 -11.211 -7.875 3.906
50 HG3 PRO 513 1HG PRO 513 -12.022 -6.452 4.586
51 HD2 PRO 513 2HD PRO 513 -11.741 -6.834 1.922
52 HD3 PRO 513 1HD PRO 513 -11.745 -5.216 2.657
53 H ASN 514 H ASN 514 -9.167 -8.076 1.689
54 HA ASN 514 HA ASN 514 -7.551 -10.040 2.991
55 HB2 ASN 514 2HB ASN 514 -9.456 -10.695 1.611
56 HB3 ASN 514 1HB ASN 514 -8.712 -9.958 0.197
57 HD21 ASN 514 1HD2 ASN 514 -8.226 -11.577 -1.109
58 HD22 ASN 514 2HD2 ASN 514 -7.338 -12.993 -0.675
59 H LEU 515 H LEU 515 -7.026 -7.631 0.519
60 HA LEU 515 HA LEU 515 -4.468 -8.739 -0.267
61 HB2 LEU 515 2HB LEU 515 -5.841 -6.155 -1.006
62 HB3 LEU 515 1HB LEU 515 -4.313 -6.693 -1.678
63 HG LEU 515 HG LEU 515 -7.001 -8.019 -2.024
64 HD11 LEU 515 1HD1 LEU 515 -5.362 -7.202 -4.325
65 HD12 LEU 515 2HD1 LEU 515 -6.030 -5.888 -3.358
66 HD13 LEU 515 3HD1 LEU 515 -7.103 -7.091 -4.071
67 HD21 LEU 515 3HD2 LEU 515 -4.236 -8.977 -2.526
68 HD22 LEU 515 1HD2 LEU 515 -5.476 -9.359 -3.721
69 HD23 LEU 515 2HD2 LEU 515 -5.676 -9.874 -2.046
70 H HIS 516 H HIS 516 -3.644 -8.675 1.972
71 HA HIS 516 HA HIS 516 -2.968 -6.048 3.011
72 HB2 HIS 516 2HB HIS 516 -1.965 -7.351 4.898
73 HB3 HIS 516 1HB HIS 516 -3.679 -7.656 4.642
74 HD1 HIS 516 1HD HIS 516 -4.027 -10.032 5.242
75 HD2 HIS 516 2HD HIS 516 -0.597 -9.496 2.957
76 HE1 HIS 516 1HE HIS 516 -3.139 -12.344 4.810
77 HE2 HIS 516 2HE HIS 516 -1.006 -11.987 3.518
78 H TYR 517 H TYR 517 -1.611 -8.159 0.808
79 HA TYR 517 HA TYR 517 1.131 -7.964 1.521
80 HB2 TYR 517 2HB TYR 517 -0.207 -8.612 -1.109
81 HB3 TYR 517 1HB TYR 517 1.526 -8.739 -0.826
82 HD1 TYR 517 1HD TYR 517 1.828 -9.993 1.707
83 HD2 TYR 517 2HD TYR 517 -1.149 -10.713 -1.245
84 HE1 TYR 517 1HE TYR 517 1.520 -12.271 2.581
85 HE2 TYR 517 2HE TYR 517 -1.466 -12.993 -0.380
86 HH TYR 517 HH TYR 517 -0.365 -14.004 2.580
87 H TRP 518 H TRP 518 -0.827 -6.253 -0.925
88 HA TRP 518 HA TRP 518 1.308 -4.228 -1.055
89 HB2 TRP 518 2HB TRP 518 -0.708 -5.110 -3.113
90 HB3 TRP 518 1HB TRP 518 0.233 -3.630 -3.278
91 HD1 TRP 518 HD TRP 518 2.919 -3.926 -3.600
92 HE1 TRP 518 1HE TRP 518 4.282 -5.879 -4.576
93 HE3 TRP 518 3HE TRP 518 -0.621 -7.604 -3.330
94 HZ2 TRP 518 2HZ TRP 518 3.907 -8.616 -5.155
95 HZ3 TRP 518 3HZ TRP 518 -0.039 -9.862 -4.115
96 HH2 TRP 518 HH TRP 518 2.179 -10.357 -5.008
97 H THR 519 H THR 519 -1.371 -4.611 0.593
98 HA THR 519 HA THR 519 -2.899 -3.261 1.559
99 HB THR 519 HB THR 519 -2.205 -1.134 2.178
100 HG1 THR 519 1HG THR 519 -2.061 0.198 0.568
101 HG21 THR 519 3HG2 THR 519 0.284 -0.991 2.110
102 HG22 THR 519 1HG2 THR 519 0.286 -2.466 1.149
103 HG23 THR 519 2HG2 THR 519 -0.362 -2.483 2.788
104 H THR 520 H THR 520 -2.039 -1.289 -1.327
105 HA THR 520 HA THR 520 -4.203 -1.980 -2.903
106 HB THR 520 HB THR 520 -4.874 -0.026 -0.771
107 HG1 THR 520 1HG THR 520 -6.127 -1.743 -0.663
108 HG21 THR 520 3HG2 THR 520 -6.730 0.835 -2.359
109 HG22 THR 520 1HG2 THR 520 -5.572 0.433 -3.629
110 HG23 THR 520 2HG2 THR 520 -5.137 1.595 -2.375
111 H GLN 521 H GLN 521 -2.909 1.137 -1.764
112 HA GLN 521 HA GLN 521 -2.486 2.071 -4.439
113 HB2 GLN 521 2HB GLN 521 -2.322 3.171 -1.755
114 HB3 GLN 521 1HB GLN 521 -0.949 3.659 -2.737
115 HG2 GLN 521 2HG GLN 521 -2.500 5.341 -3.085
116 HG3 GLN 521 1HG GLN 521 -2.673 4.310 -4.504
117 HE21 GLN 521 1HE2 GLN 521 -3.940 4.295 -1.183
118 HE22 GLN 521 2HE2 GLN 521 -5.595 4.102 -1.637
119 H ASP 522 H ASP 522 -0.881 -0.023 -2.396
120 HA ASP 522 HA ASP 522 1.712 0.536 -3.515
121 HB2 ASP 522 2HB ASP 522 1.020 -0.313 -1.040
122 HB3 ASP 522 1HB ASP 522 1.406 -1.846 -1.817
123 H GLU 523 H GLU 523 -0.981 -1.281 -4.268
124 HA GLU 523 HA GLU 523 -0.178 -3.721 -5.162
125 HB2 GLU 523 2HB GLU 523 -2.039 -3.705 -6.611
126 HB3 GLU 523 1HB GLU 523 -2.483 -2.634 -5.288
127 HG2 GLU 523 2HG GLU 523 -3.041 -1.159 -6.842
128 HG3 GLU 523 1HG GLU 523 -1.314 -0.934 -7.112
129 H GLY 524 H GLY 524 0.661 -0.630 -6.503
130 HA2 GLY 524 2HA GLY 524 2.918 -1.183 -7.784
131 HA3 GLY 524 1HA GLY 524 1.745 -1.807 -8.934
132 H ALA 525 H ALA 525 1.486 1.061 -6.871
133 HA ALA 525 HA ALA 525 1.406 2.688 -9.330
134 HB1 ALA 525 1HB ALA 525 -0.197 4.175 -8.074
135 HB2 ALA 525 2HB ALA 525 -0.314 2.888 -6.874
136 HB3 ALA 525 3HB ALA 525 -0.816 2.590 -8.538
137 H ALA 526 H ALA 526 2.745 2.315 -6.179
138 HA ALA 526 HA ALA 526 4.364 4.697 -6.615
139 HB1 ALA 526 1HB ALA 526 2.483 4.311 -4.354
140 HB2 ALA 526 2HB ALA 526 2.952 5.788 -5.194
141 HB3 ALA 526 3HB ALA 526 4.042 5.063 -4.013
142 H ILE 527 H ILE 527 4.802 1.853 -6.781
143 HA ILE 527 HA ILE 527 6.537 1.287 -4.514
144 HB ILE 527 HB ILE 527 6.691 -0.977 -5.459
145 HG12 ILE 527 2HG1 ILE 527 5.012 -1.495 -7.326
146 HG13 ILE 527 1HG1 ILE 527 4.972 0.237 -7.635
147 HG21 ILE 527 1HG2 ILE 527 4.107 -1.377 -5.340
148 HG22 ILE 527 2HG2 ILE 527 4.069 0.335 -4.903
149 HG23 ILE 527 3HG2 ILE 527 4.984 -0.810 -3.917
150 HD11 ILE 527 3HD1 ILE 527 7.675 -0.789 -7.529
151 HD12 ILE 527 1HD1 ILE 527 6.866 0.161 -8.775
152 HD13 ILE 527 2HD1 ILE 527 6.692 -1.594 -8.752
153 H GLY 528 H GLY 528 6.703 2.216 -7.840
154 HA2 GLY 528 2HA GLY 528 9.153 1.315 -8.676
155 HA3 GLY 528 1HA GLY 528 8.479 2.869 -9.132
156 H LEU 529 H LEU 529 8.694 3.407 -5.988
157 HA LEU 529 HA LEU 529 11.393 4.499 -6.256
158 HB2 LEU 529 2HB LEU 529 9.716 6.110 -5.699
159 HB3 LEU 529 1HB LEU 529 9.117 5.119 -4.383
160 HG LEU 529 HG LEU 529 11.889 5.684 -3.924
161 HD11 LEU 529 1HD1 LEU 529 12.010 7.676 -4.988
162 HD12 LEU 529 2HD1 LEU 529 11.234 8.238 -3.509
163 HD13 LEU 529 3HD1 LEU 529 10.266 7.932 -4.950
164 HD21 LEU 529 3HD2 LEU 529 11.153 5.980 -1.817
165 HD22 LEU 529 1HD2 LEU 529 9.659 5.287 -2.447
166 HD23 LEU 529 2HD2 LEU 529 9.832 7.037 -2.313
167 H ALA 530 H ALA 530 9.438 2.681 -3.907
168 HA ALA 530 HA ALA 530 11.891 1.995 -2.450
169 HB1 ALA 530 1HB ALA 530 9.219 1.262 -1.423
170 HB2 ALA 530 2HB ALA 530 9.665 2.967 -1.445
171 HB3 ALA 530 3HB ALA 530 10.654 1.809 -0.557
172 H TRP 531 H TRP 531 10.165 0.645 -4.882
173 HA TRP 531 HA TRP 531 9.769 -1.992 -3.943
174 HB2 TRP 531 2HB TRP 531 8.643 -0.979 -5.909
175 HB3 TRP 531 1HB TRP 531 10.154 -1.117 -6.799
176 HD1 TRP 531 HD TRP 531 7.426 -3.314 -5.199
177 HE1 TRP 531 1HE TRP 531 7.449 -5.610 -6.357
178 HE3 TRP 531 3HE TRP 531 11.558 -2.694 -8.149
179 HZ2 TRP 531 2HZ TRP 531 9.011 -6.980 -8.266
180 HZ3 TRP 531 3HZ TRP 531 12.248 -4.548 -9.612
181 HH2 TRP 531 HH TRP 531 11.001 -6.647 -9.667
182 H ILE 532 H ILE 532 12.472 -0.984 -3.388
183 HA ILE 532 HA ILE 532 13.906 -3.321 -4.243
184 HB ILE 532 HB ILE 532 15.823 -2.109 -5.190
185 HG12 ILE 532 2HG1 ILE 532 14.649 0.357 -5.933
186 HG13 ILE 532 1HG1 ILE 532 14.384 0.177 -4.201
187 HG21 ILE 532 1HG2 ILE 532 14.892 -1.700 -7.356
188 HG22 ILE 532 2HG2 ILE 532 13.290 -1.428 -6.670
189 HG23 ILE 532 3HG2 ILE 532 14.010 -3.038 -6.620
190 HD11 ILE 532 3HD1 ILE 532 16.873 0.607 -5.704
191 HD12 ILE 532 1HD1 ILE 532 16.973 -0.519 -4.349
192 HD13 ILE 532 2HD1 ILE 532 16.411 1.132 -4.085
193 HA PRO 533 HA PRO 533 14.704 -1.637 0.092
194 HB2 PRO 533 2HB PRO 533 14.963 -4.262 1.024
195 HB3 PRO 533 1HB PRO 533 13.530 -3.245 1.178
196 HG2 PRO 533 2HG PRO 533 14.142 -5.369 -0.824
197 HG3 PRO 533 1HG PRO 533 12.596 -4.951 -0.062
198 HD2 PRO 533 2HD PRO 533 13.136 -4.242 -2.585
199 HD3 PRO 533 1HD PRO 533 12.231 -3.162 -1.501
200 H TYR 534 H TYR 534 16.769 -0.878 -0.186
201 HA TYR 534 HA TYR 534 18.882 -2.776 -0.864
202 HB2 TYR 534 2HB TYR 534 18.426 -0.180 -1.644
203 HB3 TYR 534 1HB TYR 534 19.677 0.007 -0.421
204 HD1 TYR 534 2HD TYR 534 21.579 -1.961 -0.695
205 HD2 TYR 534 1HD TYR 534 19.201 -0.291 -3.801
206 HE1 TYR 534 2HE TYR 534 23.287 -2.608 -2.341
207 HE2 TYR 534 1HE TYR 534 20.902 -0.933 -5.457
208 HH TYR 534 HH TYR 534 23.987 -1.757 -4.698
209 H PHE 535 H PHE 535 18.356 -0.210 1.584
210 HA PHE 535 HA PHE 535 20.138 -1.738 3.369
211 HB2 PHE 535 2HB PHE 535 20.506 0.843 2.457
212 HB3 PHE 535 1HB PHE 535 19.812 1.082 4.057
213 HD1 PHE 535 2HD PHE 535 20.893 -0.842 5.768
214 HD2 PHE 535 1HD PHE 535 22.778 1.042 2.451
215 HE1 PHE 535 2HE PHE 535 23.094 -1.268 6.782
216 HE2 PHE 535 1HE PHE 535 24.982 0.619 3.457
217 HZ PHE 535 HZ PHE 535 25.142 -0.536 5.626
218 H GLY 536 H GLY 536 17.171 0.140 3.143
219 HA2 GLY 536 2HA GLY 536 16.575 -0.208 5.957
220 HA3 GLY 536 1HA GLY 536 15.561 0.589 4.765
221 HA PRO 537 HA PRO 537 13.722 -3.571 6.070
222 HB2 PRO 537 2HB PRO 537 11.171 -2.475 6.179
223 HB3 PRO 537 1HB PRO 537 12.235 -2.714 7.567
224 HG2 PRO 537 2HG PRO 537 11.736 -0.250 5.957
225 HG3 PRO 537 1HG PRO 537 11.958 -0.423 7.708
226 HD2 PRO 537 2HD PRO 537 13.924 0.489 6.139
227 HD3 PRO 537 1HD PRO 537 14.265 -0.568 7.524
228 H ALA 538 H ALA 538 11.145 -3.951 5.062
229 HA ALA 538 HA ALA 538 11.518 -4.836 2.520
230 HB1 ALA 538 1HB ALA 538 9.012 -4.543 2.216
231 HB2 ALA 538 2HB ALA 538 9.009 -3.833 3.832
232 HB3 ALA 538 3HB ALA 538 9.543 -5.499 3.601
233 H ALA 539 H ALA 539 10.235 -1.634 3.400
234 HA ALA 539 HA ALA 539 10.324 0.373 2.286
235 HB1 ALA 539 1HB ALA 539 12.628 -0.481 1.623
236 HB2 ALA 539 2HB ALA 539 11.892 0.742 0.585
237 HB3 ALA 539 3HB ALA 539 11.877 -0.956 0.097
238 H GLU 540 H GLU 540 10.021 -2.342 0.085
239 HA GLU 540 HA GLU 540 8.734 -1.455 -2.059
240 HB2 GLU 540 2HB GLU 540 8.815 -3.906 -0.555
241 HB3 GLU 540 1HB GLU 540 7.244 -3.720 -1.328
242 HG2 GLU 540 2HG GLU 540 8.460 -3.314 -3.477
243 HG3 GLU 540 1HG GLU 540 9.949 -3.751 -2.639
244 H GLY 541 H GLY 541 7.270 -1.636 1.143
245 HA2 GLY 541 2HA GLY 541 4.890 -0.317 -0.001
246 HA3 GLY 541 1HA GLY 541 4.730 -1.605 1.179
247 H ILE 542 H ILE 542 7.240 -0.369 2.512
248 HA ILE 542 HA ILE 542 5.696 1.502 4.132
249 HB ILE 542 HB ILE 542 7.663 1.335 5.725
250 HG12 ILE 542 2HG1 ILE 542 8.811 -1.019 5.324
251 HG13 ILE 542 1HG1 ILE 542 8.483 -0.642 3.638
252 HG21 ILE 542 1HG2 ILE 542 5.916 0.172 6.555
253 HG22 ILE 542 2HG2 ILE 542 6.955 -1.207 6.188
254 HG23 ILE 542 3HG2 ILE 542 5.674 -0.743 5.066
255 HD11 ILE 542 3HD1 ILE 542 10.117 0.983 5.565
256 HD12 ILE 542 1HD1 ILE 542 9.713 1.479 3.921
257 HD13 ILE 542 2HD1 ILE 542 10.703 0.045 4.190
258 H TYR 543 H TYR 543 8.313 1.501 1.865
259 HA TYR 543 HA TYR 543 8.852 4.318 2.553
260 HB2 TYR 543 2HB TYR 543 10.662 2.158 2.171
261 HB3 TYR 543 1HB TYR 543 10.889 3.280 0.836
262 HD1 TYR 543 1HD TYR 543 11.186 5.779 1.474
263 HD2 TYR 543 2HD TYR 543 11.691 2.565 4.215
264 HE1 TYR 543 1HE TYR 543 12.527 7.239 2.930
265 HE2 TYR 543 2HE TYR 543 13.033 4.015 5.678
266 HH TYR 543 HH TYR 543 13.263 6.496 6.103
267 H ALA 544 H ALA 544 7.494 2.242 0.289
268 HA ALA 544 HA ALA 544 7.915 3.998 -2.002
269 HB1 ALA 544 1HB ALA 544 6.088 2.000 -2.686
270 HB2 ALA 544 2HB ALA 544 7.235 1.223 -1.593
271 HB3 ALA 544 3HB ALA 544 7.813 2.035 -3.049
272 H GLU 545 H GLU 545 5.556 3.211 0.421
273 HA GLU 545 HA GLU 545 3.564 4.900 -0.943
274 HB2 GLU 545 2HB GLU 545 2.879 2.580 -0.543
275 HB3 GLU 545 1HB GLU 545 3.199 2.779 1.177
276 HG2 GLU 545 2HG GLU 545 0.840 2.962 0.758
277 HG3 GLU 545 1HG GLU 545 1.481 4.528 1.270
278 H GLY 546 H GLY 546 5.255 4.316 2.052
279 HA2 GLY 546 2HA GLY 546 5.222 5.401 4.092
280 HA3 GLY 546 1HA GLY 546 5.578 6.753 3.036
281 H LEU 547 H LEU 547 2.426 5.080 3.161
282 HA LEU 547 HA LEU 547 1.237 6.824 4.984
283 HB2 LEU 547 2HB LEU 547 0.962 8.716 3.885
284 HB3 LEU 547 1HB LEU 547 1.833 8.032 2.529
285 HG LEU 547 HG LEU 547 -1.045 7.360 2.632
286 HD11 LEU 547 1HD1 LEU 547 -1.921 9.429 2.221
287 HD12 LEU 547 2HD1 LEU 547 -0.384 10.092 1.666
288 HD13 LEU 547 3HD1 LEU 547 -0.667 9.846 3.389
289 HD21 LEU 547 3HD2 LEU 547 0.055 8.627 0.260
290 HD22 LEU 547 1HD2 LEU 547 -0.701 7.045 0.451
291 HD23 LEU 547 2HD2 LEU 547 1.017 7.248 0.795
292 H MET 548 H MET 548 0.245 5.498 1.804
293 HA MET 548 HA MET 548 -2.180 4.481 3.057
294 HB2 MET 548 2HB MET 548 -1.279 4.963 0.279
295 HB3 MET 548 1HB MET 548 -2.333 3.574 0.504
296 HG2 MET 548 2HG MET 548 -4.131 4.849 0.765
297 HG3 MET 548 1HG MET 548 -3.305 5.940 1.879
298 HE1 MET 548 3HE MET 548 -4.167 8.793 0.177
299 HE2 MET 548 1HE MET 548 -4.905 7.462 1.069
300 HE3 MET 548 2HE MET 548 -5.308 7.716 -0.629
301 H HIS 549 H HIS 549 0.762 3.391 3.240
302 HA HIS 549 HA HIS 549 0.682 0.791 2.166
303 HB2 HIS 549 2HB HIS 549 2.616 0.345 3.513
304 HB3 HIS 549 1HB HIS 549 2.737 2.004 2.942
305 HD1 HIS 549 1HD HIS 549 0.697 3.078 5.205
306 HD2 HIS 549 2HD HIS 549 4.163 0.859 5.777
307 HE1 HIS 549 1HE HIS 549 1.425 3.565 7.562
308 HE2 HIS 549 2HE HIS 549 3.578 2.289 7.851
309 H ASN 550 H ASN 550 -1.037 2.187 4.706
310 HA ASN 550 HA ASN 550 -1.367 -0.326 6.132
311 HB2 ASN 550 2HB ASN 550 -1.889 2.538 6.735
312 HB3 ASN 550 1HB ASN 550 -2.890 1.338 7.554
313 HD21 ASN 550 1HD2 ASN 550 -1.214 -0.685 8.066
314 HD22 ASN 550 2HD2 ASN 550 0.076 -0.177 9.095
315 H GLN 551 H GLN 551 -3.227 1.915 4.193
316 HA GLN 551 HA GLN 551 -5.760 0.782 4.714
317 HB2 GLN 551 2HB GLN 551 -6.463 1.955 2.630
318 HB3 GLN 551 1HB GLN 551 -5.625 2.993 3.776
319 HG2 GLN 551 2HG GLN 551 -4.125 3.533 2.253
320 HG3 GLN 551 1HG GLN 551 -3.722 1.835 2.003
321 HE21 GLN 551 1HE2 GLN 551 -6.739 3.553 1.375
322 HE22 GLN 551 2HE2 GLN 551 -6.771 3.240 -0.323
323 H ASP 552 H ASP 552 -4.995 -1.480 4.613
324 HA ASP 552 HA ASP 552 -4.574 -2.590 1.968
325 HB2 ASP 552 2HB ASP 552 -4.789 -3.946 4.665
326 HB3 ASP 552 1HB ASP 552 -4.352 -4.744 3.161
327 H GLY 553 H GLY 553 -7.199 -1.346 2.874
328 HA2 GLY 553 2HA GLY 553 -9.235 -2.010 1.679
329 HA3 GLY 553 1HA GLY 553 -8.907 -3.656 2.207
330 H LEU 554 H LEU 554 -8.051 -2.744 4.852
331 HA LEU 554 HA LEU 554 -10.487 -2.964 6.249
332 HB2 LEU 554 2HB LEU 554 -8.104 -1.683 7.504
333 HB3 LEU 554 1HB LEU 554 -9.214 -2.866 8.179
334 HG LEU 554 HG LEU 554 -7.989 -4.306 6.185
335 HD11 LEU 554 1HD1 LEU 554 -6.154 -2.170 7.127
336 HD12 LEU 554 2HD1 LEU 554 -6.251 -2.970 5.559
337 HD13 LEU 554 3HD1 LEU 554 -5.500 -3.795 6.923
338 HD21 LEU 554 3HD2 LEU 554 -7.322 -5.636 7.892
339 HD22 LEU 554 1HD2 LEU 554 -8.390 -4.581 8.818
340 HD23 LEU 554 2HD2 LEU 554 -6.650 -4.295 8.820
341 H ILE 555 H ILE 555 -8.239 -0.262 5.974
342 HA ILE 555 HA ILE 555 -9.984 1.654 7.126
343 HB ILE 555 HB ILE 555 -7.474 1.921 5.501
344 HG12 ILE 555 2HG1 ILE 555 -6.631 1.002 7.393
345 HG13 ILE 555 1HG1 ILE 555 -6.745 2.653 7.984
346 HG21 ILE 555 1HG2 ILE 555 -7.870 4.167 7.199
347 HG22 ILE 555 2HG2 ILE 555 -9.319 3.940 6.220
348 HG23 ILE 555 3HG2 ILE 555 -7.747 4.119 5.439
349 HD11 ILE 555 3HD1 ILE 555 -8.754 0.459 8.445
350 HD12 ILE 555 1HD1 ILE 555 -8.896 2.120 9.025
351 HD13 ILE 555 2HD1 ILE 555 -7.595 1.087 9.618
352 H CYS 556 H CYS 556 -11.735 0.847 5.556
353 HA CYS 556 HA CYS 556 -11.669 1.799 2.869
354 HB2 CYS 556 2HB CYS 556 -13.262 0.032 4.303
355 HB3 CYS 556 1HB CYS 556 -14.345 1.371 3.938
356 H GLY 557 H GLY 557 -12.013 3.407 5.775
357 HA2 GLY 557 2HA GLY 557 -14.044 5.277 5.239
358 HA3 GLY 557 1HA GLY 557 -12.713 5.505 6.360
359 H LEU 558 H LEU 558 -11.240 4.876 3.503
360 HA LEU 558 HA LEU 558 -10.329 7.499 3.144
361 HB2 LEU 558 2HB LEU 558 -9.327 6.628 1.047
362 HB3 LEU 558 1HB LEU 558 -8.959 5.669 2.468
363 HG LEU 558 HG LEU 558 -11.166 4.377 1.540
364 HD11 LEU 558 1HD1 LEU 558 -10.439 6.060 -0.573
365 HD12 LEU 558 2HD1 LEU 558 -11.562 4.701 -0.615
366 HD13 LEU 558 3HD1 LEU 558 -9.864 4.453 -1.019
367 HD21 LEU 558 3HD2 LEU 558 -9.750 2.636 1.313
368 HD22 LEU 558 1HD2 LEU 558 -8.599 3.752 2.048
369 HD23 LEU 558 2HD2 LEU 558 -8.629 3.542 0.297
370 H ARG 559 H ARG 559 -12.680 5.604 1.274
371 HA ARG 559 HA ARG 559 -14.137 6.191 -0.396
372 HB2 ARG 559 2HB ARG 559 -14.702 8.871 0.633
373 HB3 ARG 559 1HB ARG 559 -15.776 7.503 0.417
374 HG2 ARG 559 2HG ARG 559 -13.913 7.882 2.744
375 HG3 ARG 559 1HG ARG 559 -15.641 8.235 2.745
376 HD2 ARG 559 2HD ARG 559 -15.032 5.560 1.786
377 HD3 ARG 559 1HD ARG 559 -14.470 5.840 3.430
378 HE ARG 559 HE ARG 559 -17.154 6.726 3.048
379 HH11 ARG 559 1HH1 ARG 559 -15.191 3.900 3.630
380 HH12 ARG 559 2HH1 ARG 559 -16.469 3.018 4.397
381 HH21 ARG 559 1HH2 ARG 559 -18.835 5.568 4.057
382 HH22 ARG 559 2HH2 ARG 559 -18.537 3.964 4.640
383 H GLN 560 H GLN 560 -14.880 8.452 -1.654
384 HA GLN 560 HA GLN 560 -14.299 9.830 -3.366
385 HB2 GLN 560 2HB GLN 560 -11.716 10.413 -1.947
386 HB3 GLN 560 1HB GLN 560 -12.704 11.491 -2.923
387 HG2 GLN 560 2HG GLN 560 -13.497 12.293 -1.016
388 HG3 GLN 560 1HG GLN 560 -14.380 10.776 -0.850
389 HE21 GLN 560 1HE2 GLN 560 -14.295 10.564 1.329
390 HE22 GLN 560 2HE2 GLN 560 -12.833 10.362 2.224
Start of MODEL 7
1 H1 ALA 507 1HT ALA 507 -17.488 5.958 -4.023
2 H2 ALA 507 2HT ALA 507 -16.149 6.782 -3.336
3 H3 ALA 507 3HT ALA 507 -16.591 5.227 -2.760
4 HA ALA 507 HA ALA 507 -15.955 5.563 -5.572
5 HB1 ALA 507 2HB ALA 507 -13.925 6.368 -5.143
6 HB2 ALA 507 3HB ALA 507 -13.558 4.812 -4.399
7 HB3 ALA 507 1HB ALA 507 -14.128 6.151 -3.407
8 H GLN 508 H GLN 508 -14.158 3.534 -5.735
9 HA GLN 508 HA GLN 508 -15.522 1.223 -4.527
10 HB2 GLN 508 2HB GLN 508 -15.350 1.917 -7.309
11 HB3 GLN 508 1HB GLN 508 -14.479 0.415 -7.030
12 HG2 GLN 508 2HG GLN 508 -16.652 -0.213 -5.691
13 HG3 GLN 508 1HG GLN 508 -17.372 1.018 -6.728
14 HE21 GLN 508 1HE2 GLN 508 -18.541 -0.155 -8.113
15 HE22 GLN 508 2HE2 GLN 508 -17.916 -1.402 -9.132
16 HA PRO 509 HA PRO 509 -11.031 0.785 -3.737
17 HB2 PRO 509 2HB PRO 509 -11.599 0.135 -1.019
18 HB3 PRO 509 1HB PRO 509 -10.915 1.634 -1.646
19 HG2 PRO 509 2HG PRO 509 -13.409 1.393 -0.457
20 HG3 PRO 509 1HG PRO 509 -12.905 2.725 -1.510
21 HD2 PRO 509 2HD PRO 509 -14.540 0.304 -2.156
22 HD3 PRO 509 1HD PRO 509 -14.716 1.977 -2.739
23 H LYS 510 H LYS 510 -13.770 -1.234 -3.250
24 HA LYS 510 HA LYS 510 -14.016 -3.471 -3.599
25 HB2 LYS 510 2HB LYS 510 -12.394 -4.658 -4.620
26 HB3 LYS 510 1HB LYS 510 -11.554 -3.118 -4.698
27 HG2 LYS 510 2HG LYS 510 -10.764 -3.985 -2.264
28 HG3 LYS 510 1HG LYS 510 -10.969 -5.519 -3.111
29 HD2 LYS 510 2HD LYS 510 -8.919 -5.179 -3.932
30 HD3 LYS 510 1HD LYS 510 -9.648 -3.932 -4.948
31 HE2 LYS 510 2HE LYS 510 -8.680 -2.275 -3.799
32 HE3 LYS 510 1HE LYS 510 -9.054 -3.015 -2.243
33 HZ1 LYS 510 3HZ LYS 510 -7.133 -4.637 -3.120
34 HZ2 LYS 510 1HZ LYS 510 -6.834 -3.269 -2.170
35 HZ3 LYS 510 2HZ LYS 510 -6.641 -3.192 -3.849
36 H CYS 511 H CYS 511 -12.311 -2.021 -1.081
37 HA CYS 511 HA CYS 511 -11.867 -2.567 1.084
38 HB2 CYS 511 2HB CYS 511 -14.626 -3.539 0.501
39 HB3 CYS 511 1HB CYS 511 -13.925 -3.902 2.075
40 H ASN 512 H ASN 512 -10.137 -4.003 0.091
41 HA ASN 512 HA ASN 512 -10.601 -6.808 0.865
42 HB2 ASN 512 2HB ASN 512 -9.887 -6.067 -1.579
43 HB3 ASN 512 1HB ASN 512 -8.284 -6.029 -0.852
44 HD21 ASN 512 1HD2 ASN 512 -7.781 -7.731 -2.347
45 HD22 ASN 512 2HD2 ASN 512 -8.207 -9.362 -1.966
46 HA PRO 513 HA PRO 513 -7.603 -5.118 3.940
47 HB2 PRO 513 2HB PRO 513 -8.699 -6.279 6.106
48 HB3 PRO 513 1HB PRO 513 -9.321 -4.770 5.428
49 HG2 PRO 513 2HG PRO 513 -10.349 -7.561 5.102
50 HG3 PRO 513 1HG PRO 513 -11.253 -6.059 5.365
51 HD2 PRO 513 2HD PRO 513 -10.947 -7.237 2.915
52 HD3 PRO 513 1HD PRO 513 -11.198 -5.494 3.142
53 H ASN 514 H ASN 514 -7.740 -7.810 2.316
54 HA ASN 514 HA ASN 514 -6.340 -9.539 4.205
55 HB2 ASN 514 2HB ASN 514 -8.066 -10.649 2.965
56 HB3 ASN 514 1HB ASN 514 -7.459 -10.016 1.438
57 HD21 ASN 514 1HD2 ASN 514 -6.491 -12.029 4.188
58 HD22 ASN 514 2HD2 ASN 514 -5.547 -13.141 3.264
59 H LEU 515 H LEU 515 -5.798 -7.580 1.371
60 HA LEU 515 HA LEU 515 -3.155 -8.656 0.892
61 HB2 LEU 515 2HB LEU 515 -4.593 -6.291 -0.311
62 HB3 LEU 515 1HB LEU 515 -3.021 -6.870 -0.830
63 HG LEU 515 HG LEU 515 -5.645 -8.344 -1.047
64 HD11 LEU 515 1HD1 LEU 515 -5.709 -6.987 -2.859
65 HD12 LEU 515 2HD1 LEU 515 -4.678 -8.251 -3.530
66 HD13 LEU 515 3HD1 LEU 515 -3.960 -6.769 -2.898
67 HD21 LEU 515 3HD2 LEU 515 -2.843 -9.265 -1.218
68 HD22 LEU 515 1HD2 LEU 515 -3.938 -9.829 -2.480
69 HD23 LEU 515 2HD2 LEU 515 -4.307 -10.149 -0.785
70 H HIS 516 H HIS 516 -2.447 -8.187 3.126
71 HA HIS 516 HA HIS 516 -2.117 -5.512 4.020
72 HB2 HIS 516 2HB HIS 516 -0.803 -8.089 4.884
73 HB3 HIS 516 1HB HIS 516 -0.570 -6.549 5.703
74 HD1 HIS 516 1HD HIS 516 -2.300 -5.883 7.392
75 HD2 HIS 516 2HD HIS 516 -3.518 -9.084 5.041
76 HE1 HIS 516 1HE HIS 516 -4.439 -6.702 8.429
77 HE2 HIS 516 2HE HIS 516 -5.118 -8.687 7.034
78 H TYR 517 H TYR 517 -0.278 -7.557 1.920
79 HA TYR 517 HA TYR 517 2.219 -6.211 2.229
80 HB2 TYR 517 2HB TYR 517 1.127 -8.141 0.198
81 HB3 TYR 517 1HB TYR 517 2.710 -7.397 -0.005
82 HD1 TYR 517 2HD TYR 517 4.341 -7.636 2.025
83 HD2 TYR 517 1HD TYR 517 0.949 -10.123 1.387
84 HE1 TYR 517 2HE TYR 517 5.338 -9.355 3.472
85 HE2 TYR 517 1HE TYR 517 1.935 -11.849 2.834
86 HH TYR 517 HH TYR 517 4.618 -11.258 4.835
87 H TRP 518 H TRP 518 0.027 -6.305 -0.591
88 HA TRP 518 HA TRP 518 1.246 -4.053 -1.816
89 HB2 TRP 518 2HB TRP 518 -1.323 -5.536 -2.346
90 HB3 TRP 518 1HB TRP 518 -0.825 -4.145 -3.304
91 HD1 TRP 518 HD TRP 518 1.328 -4.457 -4.893
92 HE1 TRP 518 1HE TRP 518 2.423 -6.568 -5.878
93 HE3 TRP 518 3HE TRP 518 -0.815 -7.971 -1.862
94 HZ2 TRP 518 2HZ TRP 518 2.382 -9.356 -5.429
95 HZ3 TRP 518 3HZ TRP 518 -0.236 -10.337 -2.206
96 HH2 TRP 518 HH TRP 518 1.330 -11.014 -3.954
97 H THR 519 H THR 519 -1.114 -4.324 0.644
98 HA THR 519 HA THR 519 -2.411 -2.822 1.735
99 HB THR 519 HB THR 519 -1.476 -0.726 2.194
100 HG1 THR 519 1HG THR 519 -1.098 0.529 0.574
101 HG21 THR 519 3HG2 THR 519 0.990 -0.931 2.094
102 HG22 THR 519 1HG2 THR 519 0.789 -2.402 1.142
103 HG23 THR 519 2HG2 THR 519 0.180 -2.330 2.796
104 H THR 520 H THR 520 -1.651 -0.697 -1.036
105 HA THR 520 HA THR 520 -3.898 -1.199 -2.583
106 HB THR 520 HB THR 520 -4.367 0.706 -0.323
107 HG1 THR 520 1HG THR 520 -6.392 -0.261 -0.396
108 HG21 THR 520 3HG2 THR 520 -5.651 0.992 -3.025
109 HG22 THR 520 1HG2 THR 520 -4.634 2.176 -2.206
110 HG23 THR 520 2HG2 THR 520 -6.215 1.763 -1.541
111 H GLN 521 H GLN 521 -2.412 1.748 -1.236
112 HA GLN 521 HA GLN 521 -2.056 2.916 -3.820
113 HB2 GLN 521 2HB GLN 521 -1.762 3.742 -1.081
114 HB3 GLN 521 1HB GLN 521 -0.303 4.152 -1.973
115 HG2 GLN 521 2HG GLN 521 -1.694 6.031 -2.131
116 HG3 GLN 521 1HG GLN 521 -1.813 5.222 -3.692
117 HE21 GLN 521 1HE2 GLN 521 -3.386 5.025 -0.512
118 HE22 GLN 521 2HE2 GLN 521 -5.000 4.985 -1.124
119 H ASP 522 H ASP 522 -0.462 0.560 -2.044
120 HA ASP 522 HA ASP 522 2.068 1.041 -3.342
121 HB2 ASP 522 2HB ASP 522 1.446 -1.214 -1.449
122 HB3 ASP 522 1HB ASP 522 3.029 -0.584 -1.888
123 H GLU 523 H GLU 523 -0.772 -0.607 -3.917
124 HA GLU 523 HA GLU 523 -0.174 -3.046 -4.962
125 HB2 GLU 523 2HB GLU 523 -2.115 -2.832 -6.352
126 HB3 GLU 523 1HB GLU 523 -2.434 -1.982 -4.846
127 HG2 GLU 523 2HG GLU 523 -3.125 -0.315 -6.144
128 HG3 GLU 523 1HG GLU 523 -1.412 0.005 -6.409
129 H GLY 524 H GLY 524 0.702 0.059 -6.277
130 HA2 GLY 524 2HA GLY 524 2.797 -0.483 -7.765
131 HA3 GLY 524 1HA GLY 524 1.547 -1.154 -8.801
132 H ALA 525 H ALA 525 1.437 1.774 -6.802
133 HA ALA 525 HA ALA 525 0.761 3.273 -9.226
134 HB1 ALA 525 1HB ALA 525 -0.559 3.184 -6.880
135 HB2 ALA 525 2HB ALA 525 -0.628 4.550 -7.994
136 HB3 ALA 525 3HB ALA 525 0.466 4.594 -6.612
137 H ALA 526 H ALA 526 2.569 3.879 -6.206
138 HA ALA 526 HA ALA 526 4.577 5.304 -7.804
139 HB1 ALA 526 1HB ALA 526 4.699 6.753 -5.557
140 HB2 ALA 526 2HB ALA 526 2.984 6.342 -5.540
141 HB3 ALA 526 3HB ALA 526 3.674 7.192 -6.923
142 H ILE 527 H ILE 527 4.633 2.683 -6.965
143 HA ILE 527 HA ILE 527 6.375 2.595 -4.647
144 HB ILE 527 HB ILE 527 6.131 0.122 -4.884
145 HG12 ILE 527 2HG1 ILE 527 4.255 -0.655 -6.355
146 HG13 ILE 527 1HG1 ILE 527 4.195 0.947 -7.078
147 HG21 ILE 527 1HG2 ILE 527 3.568 0.284 -4.405
148 HG22 ILE 527 2HG2 ILE 527 3.857 2.021 -4.520
149 HG23 ILE 527 3HG2 ILE 527 4.718 1.057 -3.317
150 HD11 ILE 527 3HD1 ILE 527 6.703 -0.687 -7.107
151 HD12 ILE 527 1HD1 ILE 527 6.243 0.661 -8.147
152 HD13 ILE 527 2HD1 ILE 527 5.441 -0.900 -8.319
153 H GLY 528 H GLY 528 6.835 3.106 -7.840
154 HA2 GLY 528 2HA GLY 528 8.757 1.340 -8.720
155 HA3 GLY 528 1HA GLY 528 8.672 3.024 -9.197
156 H LEU 529 H LEU 529 9.156 3.535 -6.092
157 HA LEU 529 HA LEU 529 12.063 3.483 -6.437
158 HB2 LEU 529 2HB LEU 529 11.532 4.901 -4.094
159 HB3 LEU 529 1HB LEU 529 11.992 5.552 -5.651
160 HG LEU 529 HG LEU 529 10.077 6.736 -4.795
161 HD11 LEU 529 1HD1 LEU 529 10.232 5.591 -7.310
162 HD12 LEU 529 2HD1 LEU 529 9.213 6.945 -6.824
163 HD13 LEU 529 3HD1 LEU 529 8.569 5.304 -6.800
164 HD21 LEU 529 3HD2 LEU 529 8.067 4.691 -4.986
165 HD22 LEU 529 1HD2 LEU 529 8.440 5.780 -3.651
166 HD23 LEU 529 2HD2 LEU 529 9.294 4.245 -3.802
167 H ALA 530 H ALA 530 9.541 2.334 -4.298
168 HA ALA 530 HA ALA 530 11.556 1.076 -2.568
169 HB1 ALA 530 1HB ALA 530 9.383 2.489 -1.880
170 HB2 ALA 530 2HB ALA 530 10.100 1.236 -0.866
171 HB3 ALA 530 3HB ALA 530 8.709 0.859 -1.886
172 H TRP 531 H TRP 531 9.892 0.271 -5.260
173 HA TRP 531 HA TRP 531 8.648 -2.141 -4.721
174 HB2 TRP 531 2HB TRP 531 8.626 -0.804 -6.849
175 HB3 TRP 531 1HB TRP 531 10.182 -1.531 -7.231
176 HD1 TRP 531 HD TRP 531 6.665 -2.864 -6.226
177 HE1 TRP 531 1HE TRP 531 6.173 -4.942 -7.661
178 HE3 TRP 531 3HE TRP 531 11.035 -3.080 -8.870
179 HZ2 TRP 531 2HZ TRP 531 7.465 -6.472 -9.650
180 HZ3 TRP 531 3HZ TRP 531 11.328 -4.882 -10.519
181 HH2 TRP 531 HH TRP 531 9.579 -6.542 -10.899
182 H ILE 532 H ILE 532 11.947 -1.451 -4.426
183 HA ILE 532 HA ILE 532 12.493 -4.326 -4.269
184 HB ILE 532 HB ILE 532 14.785 -3.894 -5.161
185 HG12 ILE 532 2HG1 ILE 532 14.399 -1.608 -6.711
186 HG13 ILE 532 1HG1 ILE 532 13.772 -1.159 -5.129
187 HG21 ILE 532 1HG2 ILE 532 13.548 -4.892 -6.781
188 HG22 ILE 532 2HG2 ILE 532 13.771 -3.331 -7.570
189 HG23 ILE 532 3HG2 ILE 532 12.270 -3.676 -6.706
190 HD11 ILE 532 3HD1 ILE 532 16.234 -2.494 -4.735
191 HD12 ILE 532 1HD1 ILE 532 15.829 -0.806 -4.423
192 HD13 ILE 532 2HD1 ILE 532 16.459 -1.286 -5.999
193 HA PRO 533 HA PRO 533 13.323 -2.108 -0.211
194 HB2 PRO 533 2HB PRO 533 13.163 -4.685 0.978
195 HB3 PRO 533 1HB PRO 533 11.969 -3.390 1.058
196 HG2 PRO 533 2HG PRO 533 12.063 -5.771 -0.705
197 HG3 PRO 533 1HG PRO 533 10.661 -4.873 -0.101
198 HD2 PRO 533 2HD PRO 533 11.459 -4.679 -2.654
199 HD3 PRO 533 1HD PRO 533 10.802 -3.278 -1.782
200 H TYR 534 H TYR 534 15.487 -1.699 -0.811
201 HA TYR 534 HA TYR 534 17.379 -3.918 -0.602
202 HB2 TYR 534 2HB TYR 534 19.029 -2.367 -1.509
203 HB3 TYR 534 1HB TYR 534 17.590 -2.385 -2.522
204 HD1 TYR 534 1HD TYR 534 16.013 -0.466 -2.461
205 HD2 TYR 534 2HD TYR 534 19.726 -0.384 -0.384
206 HE1 TYR 534 1HE TYR 534 15.842 1.979 -2.263
207 HE2 TYR 534 2HE TYR 534 19.564 2.062 -0.181
208 HH TYR 534 HH TYR 534 17.722 3.792 -0.181
209 H PHE 535 H PHE 535 16.274 -1.128 1.135
210 HA PHE 535 HA PHE 535 18.533 -0.805 2.823
211 HB2 PHE 535 2HB PHE 535 16.208 0.606 2.364
212 HB3 PHE 535 1HB PHE 535 15.971 -0.013 3.995
213 HD1 PHE 535 1HD PHE 535 18.201 2.008 1.860
214 HD2 PHE 535 2HD PHE 535 17.154 0.884 5.829
215 HE1 PHE 535 1HE PHE 535 19.633 3.804 2.742
216 HE2 PHE 535 2HE PHE 535 18.583 2.678 6.718
217 HZ PHE 535 HZ PHE 535 19.825 4.141 5.174
218 H GLY 536 H GLY 536 15.620 -2.771 3.018
219 HA2 GLY 536 2HA GLY 536 16.408 -4.859 4.430
220 HA3 GLY 536 1HA GLY 536 16.339 -3.659 5.710
221 HA PRO 537 HA PRO 537 12.007 -4.130 6.341
222 HB2 PRO 537 2HB PRO 537 10.863 -1.705 5.688
223 HB3 PRO 537 1HB PRO 537 11.665 -2.055 7.223
224 HG2 PRO 537 2HG PRO 537 12.732 -0.665 4.800
225 HG3 PRO 537 1HG PRO 537 12.960 -0.268 6.515
226 HD2 PRO 537 2HD PRO 537 14.870 -1.506 5.110
227 HD3 PRO 537 1HD PRO 537 14.566 -1.914 6.811
228 H ALA 538 H ALA 538 9.760 -3.214 5.155
229 HA ALA 538 HA ALA 538 9.655 -4.760 2.771
230 HB1 ALA 538 1HB ALA 538 7.676 -4.721 4.038
231 HB2 ALA 538 2HB ALA 538 7.319 -3.768 2.596
232 HB3 ALA 538 3HB ALA 538 7.667 -2.959 4.126
233 H ALA 539 H ALA 539 9.470 -1.276 3.416
234 HA ALA 539 HA ALA 539 9.989 0.539 2.107
235 HB1 ALA 539 1HB ALA 539 11.463 0.313 0.289
236 HB2 ALA 539 2HB ALA 539 10.984 -1.365 0.017
237 HB3 ALA 539 3HB ALA 539 11.934 -0.936 1.443
238 H GLU 540 H GLU 540 8.926 -2.120 0.066
239 HA GLU 540 HA GLU 540 7.748 -0.993 -2.036
240 HB2 GLU 540 2HB GLU 540 7.186 -3.360 -0.390
241 HB3 GLU 540 1HB GLU 540 5.873 -2.869 -1.455
242 HG2 GLU 540 2HG GLU 540 7.591 -2.859 -3.317
243 HG3 GLU 540 1HG GLU 540 8.671 -3.678 -2.189
244 H GLY 541 H GLY 541 6.559 -0.735 1.238
245 HA2 GLY 541 2HA GLY 541 4.332 0.913 0.215
246 HA3 GLY 541 1HA GLY 541 4.151 -0.146 1.607
247 H ILE 542 H ILE 542 6.445 0.327 2.995
248 HA ILE 542 HA ILE 542 5.848 2.812 4.250
249 HB ILE 542 HB ILE 542 7.843 2.279 5.692
250 HG12 ILE 542 2HG1 ILE 542 8.362 -0.320 5.405
251 HG13 ILE 542 1HG1 ILE 542 8.006 0.044 3.723
252 HG21 ILE 542 1HG2 ILE 542 6.670 0.092 6.551
253 HG22 ILE 542 2HG2 ILE 542 5.441 0.554 5.373
254 HG23 ILE 542 3HG2 ILE 542 5.874 1.661 6.676
255 HD11 ILE 542 3HD1 ILE 542 10.326 0.253 3.948
256 HD12 ILE 542 1HD1 ILE 542 10.180 1.173 5.446
257 HD13 ILE 542 2HD1 ILE 542 9.708 1.903 3.912
258 H TYR 543 H TYR 543 8.178 1.865 1.827
259 HA TYR 543 HA TYR 543 9.475 4.498 2.135
260 HB2 TYR 543 2HB TYR 543 10.825 2.255 2.336
261 HB3 TYR 543 1HB TYR 543 10.743 2.278 0.579
262 HD1 TYR 543 1HD TYR 543 11.769 4.351 3.495
263 HD2 TYR 543 2HD TYR 543 12.293 3.522 -0.645
264 HE1 TYR 543 1HE TYR 543 13.693 5.882 3.438
265 HE2 TYR 543 2HE TYR 543 14.218 5.049 -0.713
266 HH TYR 543 HH TYR 543 15.656 6.326 2.134
267 H ALA 544 H ALA 544 7.342 2.765 0.270
268 HA ALA 544 HA ALA 544 8.002 4.201 -2.206
269 HB1 ALA 544 1HB ALA 544 5.854 2.495 -2.686
270 HB2 ALA 544 2HB ALA 544 6.909 1.604 -1.588
271 HB3 ALA 544 3HB ALA 544 7.544 2.221 -3.113
272 H GLU 545 H GLU 545 5.574 3.726 0.267
273 HA GLU 545 HA GLU 545 3.972 5.905 -0.915
274 HB2 GLU 545 2HB GLU 545 2.747 3.816 -0.946
275 HB3 GLU 545 1HB GLU 545 3.097 3.545 0.756
276 HG2 GLU 545 2HG GLU 545 0.877 4.308 0.683
277 HG3 GLU 545 1HG GLU 545 1.836 5.691 1.219
278 H GLY 546 H GLY 546 5.379 4.548 1.985
279 HA2 GLY 546 2HA GLY 546 5.480 5.315 4.161
280 HA3 GLY 546 1HA GLY 546 6.041 6.760 3.339
281 H LEU 547 H LEU 547 2.744 5.353 3.446
282 HA LEU 547 HA LEU 547 1.785 7.152 5.367
283 HB2 LEU 547 2HB LEU 547 1.466 9.042 4.271
284 HB3 LEU 547 1HB LEU 547 2.228 8.332 2.867
285 HG LEU 547 HG LEU 547 -0.604 7.631 3.057
286 HD11 LEU 547 1HD1 LEU 547 -0.335 10.019 4.096
287 HD12 LEU 547 2HD1 LEU 547 -1.610 9.676 2.927
288 HD13 LEU 547 3HD1 LEU 547 -0.136 10.492 2.408
289 HD21 LEU 547 3HD2 LEU 547 0.725 9.202 0.891
290 HD22 LEU 547 1HD2 LEU 547 -0.549 7.992 0.769
291 HD23 LEU 547 2HD2 LEU 547 1.106 7.496 1.112
292 H MET 548 H MET 548 0.540 5.827 2.292
293 HA MET 548 HA MET 548 -1.764 4.804 3.757
294 HB2 MET 548 2HB MET 548 -1.270 5.622 0.993
295 HB3 MET 548 1HB MET 548 -2.176 4.119 1.123
296 HG2 MET 548 2HG MET 548 -3.983 5.384 1.348
297 HG3 MET 548 1HG MET 548 -3.400 5.757 2.968
298 HE1 MET 548 3HE MET 548 -4.907 6.886 0.150
299 HE2 MET 548 1HE MET 548 -3.567 7.431 -0.858
300 HE3 MET 548 2HE MET 548 -4.578 8.610 -0.022
301 H HIS 549 H HIS 549 1.149 3.684 3.471
302 HA HIS 549 HA HIS 549 0.962 1.185 2.211
303 HB2 HIS 549 2HB HIS 549 2.966 0.597 3.441
304 HB3 HIS 549 1HB HIS 549 3.088 2.266 2.896
305 HD1 HIS 549 1HD HIS 549 3.368 0.196 5.862
306 HD2 HIS 549 2HD HIS 549 2.524 4.183 5.052
307 HE1 HIS 549 1HE HIS 549 3.714 1.411 8.037
308 HE2 HIS 549 2HE HIS 549 3.110 3.807 7.542
309 H ASN 550 H ASN 550 -0.586 2.313 4.992
310 HA ASN 550 HA ASN 550 -0.769 -0.330 6.190
311 HB2 ASN 550 2HB ASN 550 -1.377 2.445 7.103
312 HB3 ASN 550 1HB ASN 550 -2.215 1.103 7.879
313 HD21 ASN 550 1HD2 ASN 550 -0.608 -0.781 8.380
314 HD22 ASN 550 2HD2 ASN 550 0.828 -0.294 9.209
315 H GLN 551 H GLN 551 -2.777 2.013 4.541
316 HA GLN 551 HA GLN 551 -5.264 0.790 5.086
317 HB2 GLN 551 2HB GLN 551 -6.104 2.091 3.160
318 HB3 GLN 551 1HB GLN 551 -5.164 3.074 4.276
319 HG2 GLN 551 2HG GLN 551 -3.606 3.539 2.750
320 HG3 GLN 551 1HG GLN 551 -3.599 1.898 2.108
321 HE21 GLN 551 1HE2 GLN 551 -6.313 4.129 2.385
322 HE22 GLN 551 2HE2 GLN 551 -6.622 4.248 0.690
323 H ASP 552 H ASP 552 -4.465 -1.432 4.818
324 HA ASP 552 HA ASP 552 -4.152 -2.364 2.089
325 HB2 ASP 552 2HB ASP 552 -3.813 -4.599 3.216
326 HB3 ASP 552 1HB ASP 552 -2.640 -3.354 3.638
327 H GLY 553 H GLY 553 -6.764 -1.342 3.221
328 HA2 GLY 553 2HA GLY 553 -8.777 -2.208 2.010
329 HA3 GLY 553 1HA GLY 553 -8.374 -3.766 2.718
330 H LEU 554 H LEU 554 -7.531 -2.451 5.242
331 HA LEU 554 HA LEU 554 -9.942 -2.652 6.678
332 HB2 LEU 554 2HB LEU 554 -7.556 -1.074 7.597
333 HB3 LEU 554 1HB LEU 554 -8.692 -1.994 8.571
334 HG LEU 554 HG LEU 554 -7.368 -3.757 6.723
335 HD11 LEU 554 1HD1 LEU 554 -5.619 -1.914 8.317
336 HD12 LEU 554 2HD1 LEU 554 -5.488 -2.372 6.619
337 HD13 LEU 554 3HD1 LEU 554 -5.102 -3.543 7.880
338 HD21 LEU 554 3HD2 LEU 554 -7.877 -3.510 9.624
339 HD22 LEU 554 1HD2 LEU 554 -6.523 -4.532 9.142
340 HD23 LEU 554 2HD2 LEU 554 -8.144 -4.871 8.534
341 H ILE 555 H ILE 555 -7.937 0.168 5.966
342 HA ILE 555 HA ILE 555 -9.928 2.051 6.780
343 HB ILE 555 HB ILE 555 -7.342 2.385 5.290
344 HG12 ILE 555 2HG1 ILE 555 -6.607 1.668 7.338
345 HG13 ILE 555 1HG1 ILE 555 -6.755 3.389 7.671
346 HG21 ILE 555 1HG2 ILE 555 -7.792 4.538 5.025
347 HG22 ILE 555 2HG2 ILE 555 -8.116 4.718 6.749
348 HG23 ILE 555 3HG2 ILE 555 -9.414 4.246 5.654
349 HD11 ILE 555 3HD1 ILE 555 -7.680 2.181 9.503
350 HD12 ILE 555 1HD1 ILE 555 -8.689 1.213 8.426
351 HD13 ILE 555 2HD1 ILE 555 -9.009 2.937 8.624
352 H CYS 556 H CYS 556 -11.533 1.028 5.272
353 HA CYS 556 HA CYS 556 -11.341 1.380 2.468
354 HB2 CYS 556 2HB CYS 556 -13.613 0.806 4.346
355 HB3 CYS 556 1HB CYS 556 -13.914 1.104 2.637
356 H GLY 557 H GLY 557 -11.716 3.668 4.891
357 HA2 GLY 557 2HA GLY 557 -13.610 5.425 3.757
358 HA3 GLY 557 1HA GLY 557 -12.374 5.861 4.922
359 H LEU 558 H LEU 558 -10.695 4.544 2.438
360 HA LEU 558 HA LEU 558 -9.583 6.965 1.592
361 HB2 LEU 558 2HB LEU 558 -8.508 5.616 -0.178
362 HB3 LEU 558 1HB LEU 558 -8.342 4.922 1.424
363 HG LEU 558 HG LEU 558 -10.367 3.464 0.799
364 HD11 LEU 558 1HD1 LEU 558 -11.313 3.874 -1.166
365 HD12 LEU 558 2HD1 LEU 558 -9.852 3.255 -1.936
366 HD13 LEU 558 3HD1 LEU 558 -10.021 4.981 -1.625
367 HD21 LEU 558 3HD2 LEU 558 -7.772 3.037 -0.677
368 HD22 LEU 558 1HD2 LEU 558 -8.940 1.801 -0.208
369 HD23 LEU 558 2HD2 LEU 558 -8.034 2.674 1.029
370 H ARG 559 H ARG 559 -12.514 5.480 0.637
371 HA ARG 559 HA ARG 559 -12.759 6.095 -2.039
372 HB2 ARG 559 2HB ARG 559 -15.130 6.052 -1.746
373 HB3 ARG 559 1HB ARG 559 -14.437 4.862 -0.654
374 HG2 ARG 559 2HG ARG 559 -15.112 7.630 0.277
375 HG3 ARG 559 1HG ARG 559 -16.328 6.354 0.207
376 HD2 ARG 559 2HD ARG 559 -14.324 5.066 1.481
377 HD3 ARG 559 1HD ARG 559 -14.058 6.715 2.042
378 HE ARG 559 HE ARG 559 -15.977 6.576 3.284
379 HH11 ARG 559 1HH1 ARG 559 -15.908 3.937 0.999
380 HH12 ARG 559 2HH1 ARG 559 -17.279 3.138 1.692
381 HH21 ARG 559 1HH2 ARG 559 -17.778 5.527 4.194
382 HH22 ARG 559 2HH2 ARG 559 -18.342 4.042 3.505
383 H GLN 560 H GLN 560 -14.616 7.830 -2.679
384 HA GLN 560 HA GLN 560 -15.029 10.007 -3.161
385 HB2 GLN 560 2HB GLN 560 -14.129 10.330 -0.298
386 HB3 GLN 560 1HB GLN 560 -14.777 11.649 -1.263
387 HG2 GLN 560 2HG GLN 560 -16.903 10.710 -1.346
388 HG3 GLN 560 1HG GLN 560 -16.315 9.109 -0.897
389 HE21 GLN 560 1HE2 GLN 560 -14.935 9.408 1.307
390 HE22 GLN 560 2HE2 GLN 560 -15.869 10.117 2.574
Start of MODEL 8
1 H1 ALA 507 1HT ALA 507 -16.304 7.675 -3.572
2 H2 ALA 507 2HT ALA 507 -16.903 6.112 -3.191
3 H3 ALA 507 3HT ALA 507 -17.252 6.818 -4.716
4 HA ALA 507 HA ALA 507 -15.153 6.552 -5.489
5 HB1 ALA 507 2HB ALA 507 -14.455 7.003 -2.767
6 HB2 ALA 507 3HB ALA 507 -13.426 7.061 -4.197
7 HB3 ALA 507 1HB ALA 507 -13.641 5.542 -3.326
8 H GLN 508 H GLN 508 -13.766 4.518 -5.678
9 HA GLN 508 HA GLN 508 -15.324 2.146 -4.906
10 HB2 GLN 508 2HB GLN 508 -15.469 2.984 -7.390
11 HB3 GLN 508 1HB GLN 508 -13.886 2.232 -7.531
12 HG2 GLN 508 2HG GLN 508 -15.702 0.445 -6.220
13 HG3 GLN 508 1HG GLN 508 -16.398 1.013 -7.736
14 HE21 GLN 508 1HE2 GLN 508 -15.575 0.310 -9.636
15 HE22 GLN 508 2HE2 GLN 508 -14.297 -0.845 -9.769
16 HA PRO 509 HA PRO 509 -10.902 1.537 -3.735
17 HB2 PRO 509 2HB PRO 509 -11.283 0.878 -1.168
18 HB3 PRO 509 1HB PRO 509 -11.291 2.564 -1.698
19 HG2 PRO 509 2HG PRO 509 -13.594 0.761 -1.077
20 HG3 PRO 509 1HG PRO 509 -13.372 2.473 -0.675
21 HD2 PRO 509 2HD PRO 509 -14.873 1.547 -2.794
22 HD3 PRO 509 1HD PRO 509 -14.154 3.168 -2.704
23 H LYS 510 H LYS 510 -13.747 -0.381 -3.658
24 HA LYS 510 HA LYS 510 -14.051 -2.575 -4.171
25 HB2 LYS 510 2HB LYS 510 -12.401 -3.769 -5.139
26 HB3 LYS 510 1HB LYS 510 -11.513 -2.256 -5.061
27 HG2 LYS 510 2HG LYS 510 -10.881 -3.252 -2.656
28 HG3 LYS 510 1HG LYS 510 -11.142 -4.757 -3.539
29 HD2 LYS 510 2HD LYS 510 -9.026 -4.522 -4.228
30 HD3 LYS 510 1HD LYS 510 -9.650 -3.268 -5.302
31 HE2 LYS 510 2HE LYS 510 -8.774 -1.592 -4.071
32 HE3 LYS 510 1HE LYS 510 -9.079 -2.415 -2.541
33 HZ1 LYS 510 3HZ LYS 510 -7.174 -3.964 -3.449
34 HZ2 LYS 510 1HZ LYS 510 -6.822 -2.533 -2.616
35 HZ3 LYS 510 2HZ LYS 510 -6.747 -2.569 -4.305
36 H CYS 511 H CYS 511 -12.323 -1.498 -1.445
37 HA CYS 511 HA CYS 511 -12.053 -2.277 0.680
38 HB2 CYS 511 2HB CYS 511 -14.790 -2.194 -0.036
39 HB3 CYS 511 1HB CYS 511 -14.571 -3.630 0.960
40 H ASN 512 H ASN 512 -10.417 -3.811 0.128
41 HA ASN 512 HA ASN 512 -11.316 -6.583 0.517
42 HB2 ASN 512 2HB ASN 512 -9.620 -5.467 -1.649
43 HB3 ASN 512 1HB ASN 512 -9.103 -7.003 -0.957
44 HD21 ASN 512 1HD2 ASN 512 -9.979 -6.597 -3.614
45 HD22 ASN 512 2HD2 ASN 512 -11.417 -7.524 -3.842
46 HA PRO 513 HA PRO 513 -8.148 -5.373 3.689
47 HB2 PRO 513 2HB PRO 513 -9.378 -6.670 5.742
48 HB3 PRO 513 1HB PRO 513 -9.754 -5.006 5.280
49 HG2 PRO 513 2HG PRO 513 -11.210 -7.533 4.618
50 HG3 PRO 513 1HG PRO 513 -11.863 -5.952 5.084
51 HD2 PRO 513 2HD PRO 513 -11.795 -6.810 2.513
52 HD3 PRO 513 1HD PRO 513 -11.648 -5.095 2.954
53 H ASN 514 H ASN 514 -9.387 -8.274 2.384
54 HA ASN 514 HA ASN 514 -7.919 -10.173 3.867
55 HB2 ASN 514 2HB ASN 514 -9.812 -10.833 2.495
56 HB3 ASN 514 1HB ASN 514 -8.993 -10.276 1.040
57 HD21 ASN 514 1HD2 ASN 514 -9.242 -12.768 3.416
58 HD22 ASN 514 2HD2 ASN 514 -8.216 -13.915 2.630
59 H LEU 515 H LEU 515 -7.084 -8.073 1.215
60 HA LEU 515 HA LEU 515 -4.532 -9.439 0.812
61 HB2 LEU 515 2HB LEU 515 -5.803 -7.122 -0.648
62 HB3 LEU 515 1HB LEU 515 -4.243 -7.815 -1.050
63 HG LEU 515 HG LEU 515 -6.921 -9.192 -1.237
64 HD11 LEU 515 1HD1 LEU 515 -6.528 -9.188 -3.610
65 HD12 LEU 515 2HD1 LEU 515 -4.944 -8.445 -3.384
66 HD13 LEU 515 3HD1 LEU 515 -6.407 -7.537 -3.003
67 HD21 LEU 515 3HD2 LEU 515 -4.154 -10.250 -1.801
68 HD22 LEU 515 1HD2 LEU 515 -5.662 -11.072 -2.200
69 HD23 LEU 515 2HD2 LEU 515 -5.238 -10.780 -0.514
70 H HIS 516 H HIS 516 -3.977 -8.775 3.076
71 HA HIS 516 HA HIS 516 -3.437 -6.022 3.616
72 HB2 HIS 516 2HB HIS 516 -2.182 -6.993 5.606
73 HB3 HIS 516 1HB HIS 516 -3.901 -7.359 5.507
74 HD1 HIS 516 1HD HIS 516 -0.541 -8.976 4.845
75 HD2 HIS 516 2HD HIS 516 -4.510 -10.025 5.494
76 HE1 HIS 516 1HE HIS 516 -0.545 -11.481 5.073
77 HE2 HIS 516 2HE HIS 516 -2.947 -12.087 5.533
78 H TYR 517 H TYR 517 -1.855 -8.244 1.692
79 HA TYR 517 HA TYR 517 0.847 -7.460 2.287
80 HB2 TYR 517 2HB TYR 517 -0.395 -9.103 0.085
81 HB3 TYR 517 1HB TYR 517 1.328 -8.742 0.139
82 HD1 TYR 517 1HD TYR 517 2.564 -9.400 2.335
83 HD2 TYR 517 2HD TYR 517 -1.204 -10.989 1.166
84 HE1 TYR 517 1HE TYR 517 2.924 -11.329 3.817
85 HE2 TYR 517 2HE TYR 517 -0.856 -12.922 2.644
86 HH TYR 517 HH TYR 517 0.556 -13.355 4.805
87 H TRP 518 H TRP 518 -1.197 -7.069 -0.617
88 HA TRP 518 HA TRP 518 0.557 -5.132 -1.764
89 HB2 TRP 518 2HB TRP 518 -1.920 -6.506 -2.519
90 HB3 TRP 518 1HB TRP 518 -1.807 -4.861 -3.135
91 HD1 TRP 518 HD TRP 518 -1.505 -5.708 -5.643
92 HE1 TRP 518 1HE TRP 518 0.499 -6.726 -6.896
93 HE3 TRP 518 3HE TRP 518 1.426 -6.930 -1.633
94 HZ2 TRP 518 2HZ TRP 518 2.991 -7.890 -6.269
95 HZ3 TRP 518 3HZ TRP 518 3.605 -7.993 -2.048
96 HH2 TRP 518 HH TRP 518 4.370 -8.463 -4.319
97 H THR 519 H THR 519 -2.094 -4.935 0.438
98 HA THR 519 HA THR 519 -3.103 -3.190 1.480
99 HB THR 519 HB THR 519 -1.848 -1.268 1.950
100 HG1 THR 519 1HG THR 519 -0.405 -0.351 0.526
101 HG21 THR 519 3HG2 THR 519 0.589 -1.910 1.906
102 HG22 THR 519 1HG2 THR 519 0.087 -3.413 1.136
103 HG23 THR 519 2HG2 THR 519 -0.499 -3.012 2.749
104 H THR 520 H THR 520 -1.818 -1.377 -1.322
105 HA THR 520 HA THR 520 -3.965 -1.502 -3.020
106 HB THR 520 HB THR 520 -4.466 0.300 -0.723
107 HG1 THR 520 1HG THR 520 -6.116 -0.971 -0.834
108 HG21 THR 520 3HG2 THR 520 -6.030 1.630 -2.315
109 HG22 THR 520 1HG2 THR 520 -4.835 1.192 -3.539
110 HG23 THR 520 2HG2 THR 520 -4.346 2.117 -2.117
111 H GLN 521 H GLN 521 -2.253 1.212 -1.487
112 HA GLN 521 HA GLN 521 -1.508 2.347 -4.005
113 HB2 GLN 521 2HB GLN 521 -1.420 3.139 -1.248
114 HB3 GLN 521 1HB GLN 521 0.168 3.372 -1.968
115 HG2 GLN 521 2HG GLN 521 -0.830 5.393 -2.387
116 HG3 GLN 521 1HG GLN 521 -1.161 4.522 -3.881
117 HE21 GLN 521 1HE2 GLN 521 -2.658 4.584 -0.660
118 HE22 GLN 521 2HE2 GLN 521 -4.259 4.907 -1.223
119 H ASP 522 H ASP 522 -0.423 -0.235 -2.210
120 HA ASP 522 HA ASP 522 2.303 -0.011 -3.120
121 HB2 ASP 522 2HB ASP 522 0.921 -1.543 -1.055
122 HB3 ASP 522 1HB ASP 522 2.085 -2.502 -1.963
123 H GLU 523 H GLU 523 -0.667 -1.396 -3.964
124 HA GLU 523 HA GLU 523 -0.163 -3.673 -5.382
125 HB2 GLU 523 2HB GLU 523 -1.915 -1.350 -6.204
126 HB3 GLU 523 1HB GLU 523 -2.070 -3.000 -6.800
127 HG2 GLU 523 2HG GLU 523 -2.174 -2.667 -3.882
128 HG3 GLU 523 1HG GLU 523 -3.500 -1.943 -4.788
129 H GLY 524 H GLY 524 0.671 -0.410 -6.145
130 HA2 GLY 524 2HA GLY 524 2.781 -0.543 -7.678
131 HA3 GLY 524 1HA GLY 524 1.574 -1.096 -8.835
132 H ALA 525 H ALA 525 1.164 1.303 -6.297
133 HA ALA 525 HA ALA 525 0.292 3.215 -8.315
134 HB1 ALA 525 1HB ALA 525 -1.177 3.995 -6.797
135 HB2 ALA 525 2HB ALA 525 -0.019 3.896 -5.471
136 HB3 ALA 525 3HB ALA 525 -0.875 2.446 -6.003
137 H ALA 526 H ALA 526 2.206 3.362 -5.289
138 HA ALA 526 HA ALA 526 3.929 5.336 -6.610
139 HB1 ALA 526 1HB ALA 526 3.690 6.908 -5.007
140 HB2 ALA 526 2HB ALA 526 3.553 5.713 -3.716
141 HB3 ALA 526 3HB ALA 526 2.152 6.094 -4.719
142 H ILE 527 H ILE 527 4.379 2.644 -6.461
143 HA ILE 527 HA ILE 527 6.263 2.227 -4.293
144 HB ILE 527 HB ILE 527 6.337 -0.116 -5.170
145 HG12 ILE 527 2HG1 ILE 527 4.521 -0.781 -6.733
146 HG13 ILE 527 1HG1 ILE 527 4.114 0.914 -6.971
147 HG21 ILE 527 1HG2 ILE 527 4.934 0.182 -3.355
148 HG22 ILE 527 2HG2 ILE 527 3.828 -0.475 -4.561
149 HG23 ILE 527 3HG2 ILE 527 3.855 1.263 -4.242
150 HD11 ILE 527 3HD1 ILE 527 5.853 1.263 -8.364
151 HD12 ILE 527 1HD1 ILE 527 5.677 -0.472 -8.623
152 HD13 ILE 527 2HD1 ILE 527 6.909 0.133 -7.517
153 H GLY 528 H GLY 528 6.305 3.248 -7.514
154 HA2 GLY 528 2HA GLY 528 8.498 2.123 -8.685
155 HA3 GLY 528 1HA GLY 528 8.035 3.796 -8.911
156 H LEU 529 H LEU 529 8.602 4.153 -5.859
157 HA LEU 529 HA LEU 529 11.449 4.673 -6.299
158 HB2 LEU 529 2HB LEU 529 11.148 6.018 -4.130
159 HB3 LEU 529 1HB LEU 529 10.442 6.634 -5.611
160 HG LEU 529 HG LEU 529 8.696 4.950 -3.905
161 HD11 LEU 529 1HD1 LEU 529 8.145 6.806 -2.436
162 HD12 LEU 529 2HD1 LEU 529 9.406 7.789 -3.181
163 HD13 LEU 529 3HD1 LEU 529 9.840 6.352 -2.256
164 HD21 LEU 529 3HD2 LEU 529 7.033 6.030 -4.983
165 HD22 LEU 529 1HD2 LEU 529 8.303 6.362 -6.160
166 HD23 LEU 529 2HD2 LEU 529 7.875 7.579 -4.957
167 H ALA 530 H ALA 530 9.303 3.067 -3.992
168 HA ALA 530 HA ALA 530 11.648 2.051 -2.549
169 HB1 ALA 530 1HB ALA 530 10.390 1.934 -0.682
170 HB2 ALA 530 2HB ALA 530 8.918 1.530 -1.564
171 HB3 ALA 530 3HB ALA 530 9.497 3.196 -1.528
172 H TRP 531 H TRP 531 9.826 1.003 -5.058
173 HA TRP 531 HA TRP 531 9.111 -1.604 -4.250
174 HB2 TRP 531 2HB TRP 531 8.149 -0.439 -6.188
175 HB3 TRP 531 1HB TRP 531 9.684 -0.601 -7.034
176 HD1 TRP 531 HD TRP 531 10.055 -2.796 -8.365
177 HE1 TRP 531 1HE TRP 531 8.732 -4.984 -8.658
178 HE3 TRP 531 3HE TRP 531 6.500 -2.079 -4.764
179 HZ2 TRP 531 2HZ TRP 531 6.476 -6.239 -7.514
180 HZ3 TRP 531 3HZ TRP 531 4.794 -3.820 -4.427
181 HH2 TRP 531 HH TRP 531 4.783 -5.858 -5.775
182 H ILE 532 H ILE 532 11.884 -0.935 -3.569
183 HA ILE 532 HA ILE 532 13.064 -3.407 -4.375
184 HB ILE 532 HB ILE 532 15.155 -2.400 -5.269
185 HG12 ILE 532 2HG1 ILE 532 14.191 0.082 -6.218
186 HG13 ILE 532 1HG1 ILE 532 13.822 0.031 -4.497
187 HG21 ILE 532 1HG2 ILE 532 13.327 -3.293 -6.719
188 HG22 ILE 532 2HG2 ILE 532 14.357 -2.091 -7.494
189 HG23 ILE 532 3HG2 ILE 532 12.753 -1.638 -6.916
190 HD11 ILE 532 3HD1 ILE 532 15.899 0.836 -4.291
191 HD12 ILE 532 1HD1 ILE 532 16.399 0.241 -5.872
192 HD13 ILE 532 2HD1 ILE 532 16.373 -0.851 -4.488
193 HA PRO 533 HA PRO 533 13.869 -1.765 -0.033
194 HB2 PRO 533 2HB PRO 533 14.050 -4.449 0.816
195 HB3 PRO 533 1HB PRO 533 12.679 -3.360 1.039
196 HG2 PRO 533 2HG PRO 533 13.124 -5.447 -1.036
197 HG3 PRO 533 1HG PRO 533 11.614 -4.930 -0.264
198 HD2 PRO 533 2HD PRO 533 12.202 -4.204 -2.767
199 HD3 PRO 533 1HD PRO 533 11.397 -3.074 -1.655
200 H TYR 534 H TYR 534 15.931 -1.055 -0.846
201 HA TYR 534 HA TYR 534 18.056 -3.062 -0.909
202 HB2 TYR 534 2HB TYR 534 17.597 -0.556 -2.238
203 HB3 TYR 534 1HB TYR 534 19.122 -0.480 -1.364
204 HD1 TYR 534 1HD TYR 534 17.236 -2.610 -3.771
205 HD2 TYR 534 2HD TYR 534 21.043 -1.403 -2.304
206 HE1 TYR 534 1HE TYR 534 18.328 -3.869 -5.580
207 HE2 TYR 534 2HE TYR 534 22.144 -2.657 -4.109
208 HH TYR 534 HH TYR 534 20.444 -4.866 -6.114
209 H PHE 535 H PHE 535 17.040 -0.187 0.860
210 HA PHE 535 HA PHE 535 19.318 0.105 2.474
211 HB2 PHE 535 2HB PHE 535 16.961 1.479 2.147
212 HB3 PHE 535 1HB PHE 535 16.788 0.822 3.772
213 HD1 PHE 535 1HD PHE 535 19.101 2.771 1.619
214 HD2 PHE 535 2HD PHE 535 17.825 1.857 5.574
215 HE1 PHE 535 1HE PHE 535 20.530 4.574 2.492
216 HE2 PHE 535 2HE PHE 535 19.251 3.657 6.455
217 HZ PHE 535 HZ PHE 535 20.606 5.020 4.914
218 H GLY 536 H GLY 536 16.467 -1.931 2.819
219 HA2 GLY 536 2HA GLY 536 17.426 -3.989 4.200
220 HA3 GLY 536 1HA GLY 536 17.305 -2.790 5.477
221 HA PRO 537 HA PRO 537 13.028 -3.540 6.212
222 HB2 PRO 537 2HB PRO 537 11.753 -1.165 5.581
223 HB3 PRO 537 1HB PRO 537 12.557 -1.501 7.117
224 HG2 PRO 537 2HG PRO 537 13.568 -0.013 4.730
225 HG3 PRO 537 1HG PRO 537 13.777 0.354 6.454
226 HD2 PRO 537 2HD PRO 537 15.746 -0.756 5.028
227 HD3 PRO 537 1HD PRO 537 15.453 -1.232 6.713
228 H ALA 538 H ALA 538 10.719 -2.737 5.057
229 HA ALA 538 HA ALA 538 10.742 -4.214 2.604
230 HB1 ALA 538 1HB ALA 538 8.582 -2.773 4.115
231 HB2 ALA 538 2HB ALA 538 8.805 -4.509 3.897
232 HB3 ALA 538 3HB ALA 538 8.293 -3.507 2.536
233 H ALA 539 H ALA 539 10.107 -0.835 3.476
234 HA ALA 539 HA ALA 539 10.383 1.112 2.281
235 HB1 ALA 539 1HB ALA 539 11.834 1.186 0.446
236 HB2 ALA 539 2HB ALA 539 11.504 -0.495 0.014
237 HB3 ALA 539 3HB ALA 539 12.457 -0.122 1.455
238 H GLU 540 H GLU 540 9.528 -1.552 0.158
239 HA GLU 540 HA GLU 540 8.185 -0.503 -1.872
240 HB2 GLU 540 2HB GLU 540 7.962 -2.941 -0.285
241 HB3 GLU 540 1HB GLU 540 6.499 -2.559 -1.185
242 HG2 GLU 540 2HG GLU 540 7.812 -2.459 -3.247
243 HG3 GLU 540 1HG GLU 540 9.269 -2.859 -2.334
244 H GLY 541 H GLY 541 7.003 -0.505 1.440
245 HA2 GLY 541 2HA GLY 541 4.663 1.034 0.499
246 HA3 GLY 541 1HA GLY 541 4.529 -0.159 1.780
247 H ILE 542 H ILE 542 7.117 0.631 2.945
248 HA ILE 542 HA ILE 542 6.119 2.866 4.502
249 HB ILE 542 HB ILE 542 8.156 2.446 5.928
250 HG12 ILE 542 2HG1 ILE 542 8.929 -0.067 5.505
251 HG13 ILE 542 1HG1 ILE 542 8.537 0.345 3.842
252 HG21 ILE 542 1HG2 ILE 542 6.307 0.096 5.562
253 HG22 ILE 542 2HG2 ILE 542 5.895 1.579 6.422
254 HG23 ILE 542 3HG2 ILE 542 7.183 0.539 7.028
255 HD11 ILE 542 3HD1 ILE 542 10.052 2.336 4.104
256 HD12 ILE 542 1HD1 ILE 542 10.834 0.756 4.117
257 HD13 ILE 542 2HD1 ILE 542 10.574 1.625 5.631
258 H TYR 543 H TYR 543 8.445 2.310 2.004
259 HA TYR 543 HA TYR 543 9.531 5.015 2.457
260 HB2 TYR 543 2HB TYR 543 11.094 2.934 2.521
261 HB3 TYR 543 1HB TYR 543 10.925 2.960 0.771
262 HD1 TYR 543 1HD TYR 543 11.770 5.236 3.607
263 HD2 TYR 543 2HD TYR 543 12.429 4.208 -0.467
264 HE1 TYR 543 1HE TYR 543 13.544 6.934 3.472
265 HE2 TYR 543 2HE TYR 543 14.206 5.901 -0.615
266 HH TYR 543 HH TYR 543 15.581 7.363 2.080
267 H ALA 544 H ALA 544 7.516 3.194 0.529
268 HA ALA 544 HA ALA 544 7.958 4.838 -1.869
269 HB1 ALA 544 1HB ALA 544 5.986 3.001 -2.462
270 HB2 ALA 544 2HB ALA 544 7.055 2.115 -1.373
271 HB3 ALA 544 3HB ALA 544 7.700 2.840 -2.846
272 H GLU 545 H GLU 545 5.613 3.853 0.542
273 HA GLU 545 HA GLU 545 3.812 6.009 -0.354
274 HB2 GLU 545 2HB GLU 545 2.777 3.872 -0.705
275 HB3 GLU 545 1HB GLU 545 3.216 3.337 0.915
276 HG2 GLU 545 2HG GLU 545 0.841 3.932 0.721
277 HG3 GLU 545 1HG GLU 545 1.703 4.930 1.899
278 H GLY 546 H GLY 546 5.326 4.403 2.357
279 HA2 GLY 546 2HA GLY 546 5.355 4.858 4.619
280 HA3 GLY 546 1HA GLY 546 5.778 6.450 4.017
281 H LEU 547 H LEU 547 2.640 4.702 3.961
282 HA LEU 547 HA LEU 547 1.485 6.047 6.087
283 HB2 LEU 547 2HB LEU 547 1.140 8.117 5.395
284 HB3 LEU 547 1HB LEU 547 1.900 7.738 3.866
285 HG LEU 547 HG LEU 547 -0.950 6.970 4.078
286 HD11 LEU 547 1HD1 LEU 547 -1.871 9.084 4.064
287 HD12 LEU 547 2HD1 LEU 547 -0.344 9.860 3.643
288 HD13 LEU 547 3HD1 LEU 547 -0.600 9.246 5.276
289 HD21 LEU 547 3HD2 LEU 547 -0.479 6.787 1.906
290 HD22 LEU 547 1HD2 LEU 547 1.028 7.685 2.080
291 HD23 LEU 547 2HD2 LEU 547 -0.493 8.548 1.848
292 H MET 548 H MET 548 0.443 5.369 2.749
293 HA MET 548 HA MET 548 -1.950 4.074 3.749
294 HB2 MET 548 2HB MET 548 -1.001 5.059 1.123
295 HB3 MET 548 1HB MET 548 -2.087 3.678 1.087
296 HG2 MET 548 2HG MET 548 -3.859 4.927 1.580
297 HG3 MET 548 1HG MET 548 -3.011 5.784 2.865
298 HE1 MET 548 3HE MET 548 -4.929 7.972 0.251
299 HE2 MET 548 1HE MET 548 -4.219 8.639 1.721
300 HE3 MET 548 2HE MET 548 -5.020 7.069 1.763
301 H HIS 549 H HIS 549 1.007 2.969 3.756
302 HA HIS 549 HA HIS 549 0.889 0.609 2.200
303 HB2 HIS 549 2HB HIS 549 3.045 1.350 2.896
304 HB3 HIS 549 1HB HIS 549 2.559 1.407 4.586
305 HD1 HIS 549 1HD HIS 549 3.773 -0.363 5.798
306 HD2 HIS 549 2HD HIS 549 2.554 -1.639 2.035
307 HE1 HIS 549 1HE HIS 549 4.484 -2.770 5.642
308 HE2 HIS 549 2HE HIS 549 3.834 -3.486 3.315
309 H ASN 550 H ASN 550 -0.767 1.542 4.969
310 HA ASN 550 HA ASN 550 -1.116 -1.176 5.948
311 HB2 ASN 550 2HB ASN 550 -1.717 1.551 7.016
312 HB3 ASN 550 1HB ASN 550 -2.592 0.163 7.661
313 HD21 ASN 550 1HD2 ASN 550 -0.196 2.104 8.393
314 HD22 ASN 550 2HD2 ASN 550 0.884 1.029 9.206
315 H GLN 551 H GLN 551 -3.171 1.551 5.061
316 HA GLN 551 HA GLN 551 -5.650 0.468 5.119
317 HB2 GLN 551 2HB GLN 551 -6.174 2.000 3.153
318 HB3 GLN 551 1HB GLN 551 -5.476 2.753 4.581
319 HG2 GLN 551 2HG GLN 551 -4.043 3.699 3.174
320 HG3 GLN 551 1HG GLN 551 -3.258 2.123 3.116
321 HE21 GLN 551 1HE2 GLN 551 -2.723 1.665 1.112
322 HE22 GLN 551 2HE2 GLN 551 -3.691 1.935 -0.292
323 H ASP 552 H ASP 552 -5.205 -1.769 4.624
324 HA ASP 552 HA ASP 552 -4.913 -2.438 1.801
325 HB2 ASP 552 2HB ASP 552 -4.768 -4.779 2.619
326 HB3 ASP 552 1HB ASP 552 -3.559 -3.723 3.340
327 H GLY 553 H GLY 553 -7.387 -1.232 3.062
328 HA2 GLY 553 2HA GLY 553 -9.488 -1.702 1.784
329 HA3 GLY 553 1HA GLY 553 -9.284 -3.368 2.309
330 H LEU 554 H LEU 554 -8.305 -2.490 4.959
331 HA LEU 554 HA LEU 554 -10.700 -2.577 6.402
332 HB2 LEU 554 2HB LEU 554 -8.169 -1.320 7.429
333 HB3 LEU 554 1HB LEU 554 -9.387 -2.199 8.336
334 HG LEU 554 HG LEU 554 -8.283 -3.935 6.337
335 HD11 LEU 554 1HD1 LEU 554 -6.268 -2.581 8.122
336 HD12 LEU 554 2HD1 LEU 554 -6.317 -2.535 6.360
337 HD13 LEU 554 3HD1 LEU 554 -5.975 -4.053 7.193
338 HD21 LEU 554 3HD2 LEU 554 -8.672 -3.847 9.266
339 HD22 LEU 554 1HD2 LEU 554 -7.454 -4.969 8.659
340 HD23 LEU 554 2HD2 LEU 554 -9.122 -5.087 8.097
341 H ILE 555 H ILE 555 -8.459 0.141 6.034
342 HA ILE 555 HA ILE 555 -10.366 2.054 6.986
343 HB ILE 555 HB ILE 555 -7.675 2.411 5.688
344 HG12 ILE 555 2HG1 ILE 555 -7.146 1.328 7.656
345 HG13 ILE 555 1HG1 ILE 555 -7.127 3.005 8.189
346 HG21 ILE 555 1HG2 ILE 555 -9.651 4.323 6.177
347 HG22 ILE 555 2HG2 ILE 555 -7.962 4.608 5.755
348 HG23 ILE 555 3HG2 ILE 555 -8.449 4.544 7.449
349 HD11 ILE 555 3HD1 ILE 555 -9.230 0.922 8.667
350 HD12 ILE 555 1HD1 ILE 555 -9.533 2.642 8.910
351 HD13 ILE 555 2HD1 ILE 555 -8.282 1.826 9.849
352 H CYS 556 H CYS 556 -11.827 1.127 5.164
353 HA CYS 556 HA CYS 556 -11.412 1.968 2.494
354 HB2 CYS 556 2HB CYS 556 -13.423 0.536 3.981
355 HB3 CYS 556 1HB CYS 556 -14.185 1.699 2.900
356 H GLY 557 H GLY 557 -12.113 3.785 5.219
357 HA2 GLY 557 2HA GLY 557 -13.989 5.643 4.215
358 HA3 GLY 557 1HA GLY 557 -12.897 5.909 5.562
359 H LEU 558 H LEU 558 -10.915 5.108 3.077
360 HA LEU 558 HA LEU 558 -9.883 7.695 2.782
361 HB2 LEU 558 2HB LEU 558 -8.550 6.704 0.920
362 HB3 LEU 558 1HB LEU 558 -8.440 5.842 2.442
363 HG LEU 558 HG LEU 558 -10.462 4.477 1.253
364 HD11 LEU 558 1HD1 LEU 558 -9.001 5.881 -0.861
365 HD12 LEU 558 2HD1 LEU 558 -10.590 5.115 -0.890
366 HD13 LEU 558 3HD1 LEU 558 -9.136 4.139 -1.099
367 HD21 LEU 558 3HD2 LEU 558 -8.330 3.065 0.377
368 HD22 LEU 558 1HD2 LEU 558 -8.897 3.070 2.047
369 HD23 LEU 558 2HD2 LEU 558 -7.560 4.115 1.566
370 H ARG 559 H ARG 559 -11.846 5.750 0.552
371 HA ARG 559 HA ARG 559 -12.901 6.279 -1.409
372 HB2 ARG 559 2HB ARG 559 -13.781 8.942 -0.672
373 HB3 ARG 559 1HB ARG 559 -14.723 7.484 -0.928
374 HG2 ARG 559 2HG ARG 559 -13.281 8.085 1.638
375 HG3 ARG 559 1HG ARG 559 -14.953 8.540 1.324
376 HD2 ARG 559 2HD ARG 559 -14.759 5.841 0.613
377 HD3 ARG 559 1HD ARG 559 -13.868 6.002 2.123
378 HE ARG 559 HE ARG 559 -16.387 7.320 2.248
379 HH11 ARG 559 1HH1 ARG 559 -14.875 4.179 2.422
380 HH12 ARG 559 2HH1 ARG 559 -16.125 3.493 3.403
381 HH21 ARG 559 1HH2 ARG 559 -18.032 6.419 3.539
382 HH22 ARG 559 2HH2 ARG 559 -17.918 4.764 4.038
383 H GLN 560 H GLN 560 -13.420 8.665 -2.718
384 HA GLN 560 HA GLN 560 -12.493 9.983 -4.327
385 HB2 GLN 560 2HB GLN 560 -10.335 10.604 -2.323
386 HB3 GLN 560 1HB GLN 560 -11.001 11.653 -3.566
387 HG2 GLN 560 2HG GLN 560 -12.289 12.522 -1.988
388 HG3 GLN 560 1HG GLN 560 -13.188 11.005 -2.004
389 HE21 GLN 560 1HE2 GLN 560 -13.674 10.736 0.086
390 HE22 GLN 560 2HE2 GLN 560 -12.520 10.647 1.368
Start of MODEL 9
1 H1 ALA 507 1HT ALA 507 -18.551 4.655 -2.542
2 H2 ALA 507 2HT ALA 507 -19.191 5.051 -4.083
3 H3 ALA 507 3HT ALA 507 -18.439 6.262 -3.127
4 HA ALA 507 HA ALA 507 -17.181 5.223 -5.052
5 HB1 ALA 507 2HB ALA 507 -15.153 5.096 -3.235
6 HB2 ALA 507 3HB ALA 507 -16.352 6.065 -2.377
7 HB3 ALA 507 1HB ALA 507 -15.775 6.579 -3.962
8 H GLN 508 H GLN 508 -15.655 3.569 -5.531
9 HA GLN 508 HA GLN 508 -15.983 1.111 -3.953
10 HB2 GLN 508 2HB GLN 508 -15.956 1.296 -6.971
11 HB3 GLN 508 1HB GLN 508 -16.004 -0.195 -6.041
12 HG2 GLN 508 2HG GLN 508 -18.209 -0.100 -6.082
13 HG3 GLN 508 1HG GLN 508 -18.133 1.365 -5.105
14 HE21 GLN 508 1HE2 GLN 508 -19.768 0.306 -7.504
15 HE22 GLN 508 2HE2 GLN 508 -19.819 1.667 -8.568
16 HA PRO 509 HA PRO 509 -11.488 2.156 -4.467
17 HB2 PRO 509 2HB PRO 509 -11.388 1.052 -1.735
18 HB3 PRO 509 1HB PRO 509 -10.777 2.592 -2.345
19 HG2 PRO 509 2HG PRO 509 -12.926 2.465 -0.747
20 HG3 PRO 509 1HG PRO 509 -12.797 3.663 -2.048
21 HD2 PRO 509 2HD PRO 509 -14.335 1.094 -1.984
22 HD3 PRO 509 1HD PRO 509 -14.812 2.678 -2.634
23 H LYS 510 H LYS 510 -12.404 -0.517 -2.327
24 HA LYS 510 HA LYS 510 -11.963 -2.622 -4.067
25 HB2 LYS 510 2HB LYS 510 -9.772 -3.411 -3.579
26 HB3 LYS 510 1HB LYS 510 -9.614 -1.720 -4.020
27 HG2 LYS 510 2HG LYS 510 -9.832 -2.505 -1.145
28 HG3 LYS 510 1HG LYS 510 -8.297 -2.642 -1.999
29 HD2 LYS 510 2HD LYS 510 -7.986 -0.414 -2.054
30 HD3 LYS 510 1HD LYS 510 -9.688 -0.085 -2.377
31 HE2 LYS 510 2HE LYS 510 -10.156 0.241 -0.208
32 HE3 LYS 510 1HE LYS 510 -9.175 -1.132 0.303
33 HZ1 LYS 510 3HZ LYS 510 -7.194 0.295 -0.045
34 HZ2 LYS 510 1HZ LYS 510 -8.219 0.847 1.183
35 HZ3 LYS 510 2HZ LYS 510 -8.224 1.606 -0.329
36 H CYS 511 H CYS 511 -11.711 -1.424 -0.841
37 HA CYS 511 HA CYS 511 -12.166 -2.321 1.215
38 HB2 CYS 511 2HB CYS 511 -14.437 -2.570 -0.553
39 HB3 CYS 511 1HB CYS 511 -14.477 -3.815 0.693
40 H ASN 512 H ASN 512 -10.180 -3.728 0.660
41 HA ASN 512 HA ASN 512 -10.933 -6.507 1.212
42 HB2 ASN 512 2HB ASN 512 -10.081 -5.857 -1.259
43 HB3 ASN 512 1HB ASN 512 -8.523 -6.099 -0.474
44 HD21 ASN 512 1HD2 ASN 512 -8.265 -8.153 0.715
45 HD22 ASN 512 2HD2 ASN 512 -8.990 -9.571 0.047
46 HA PRO 513 HA PRO 513 -7.853 -4.917 4.263
47 HB2 PRO 513 2HB PRO 513 -8.997 -6.059 6.430
48 HB3 PRO 513 1HB PRO 513 -9.523 -4.502 5.777
49 HG2 PRO 513 2HG PRO 513 -10.725 -7.219 5.411
50 HG3 PRO 513 1HG PRO 513 -11.531 -5.666 5.696
51 HD2 PRO 513 2HD PRO 513 -11.328 -6.816 3.235
52 HD3 PRO 513 1HD PRO 513 -11.415 -5.059 3.482
53 H ASN 514 H ASN 514 -8.348 -7.767 2.784
54 HA ASN 514 HA ASN 514 -6.783 -9.394 4.631
55 HB2 ASN 514 2HB ASN 514 -8.744 -10.453 3.664
56 HB3 ASN 514 1HB ASN 514 -8.183 -10.081 2.038
57 HD21 ASN 514 1HD2 ASN 514 -7.574 -11.994 4.906
58 HD22 ASN 514 2HD2 ASN 514 -6.634 -13.216 4.125
59 H LEU 515 H LEU 515 -6.478 -7.615 1.675
60 HA LEU 515 HA LEU 515 -3.991 -8.910 0.926
61 HB2 LEU 515 2HB LEU 515 -5.435 -6.539 -0.259
62 HB3 LEU 515 1HB LEU 515 -3.988 -7.266 -0.929
63 HG LEU 515 HG LEU 515 -6.692 -8.584 -0.670
64 HD11 LEU 515 1HD1 LEU 515 -6.519 -6.893 -2.450
65 HD12 LEU 515 2HD1 LEU 515 -6.715 -8.526 -3.088
66 HD13 LEU 515 3HD1 LEU 515 -5.129 -7.754 -3.112
67 HD21 LEU 515 3HD2 LEU 515 -5.388 -10.276 -2.208
68 HD22 LEU 515 1HD2 LEU 515 -5.311 -10.396 -0.449
69 HD23 LEU 515 2HD2 LEU 515 -3.990 -9.639 -1.340
70 H HIS 516 H HIS 516 -2.977 -8.342 3.012
71 HA HIS 516 HA HIS 516 -2.321 -5.576 3.487
72 HB2 HIS 516 2HB HIS 516 -0.991 -6.456 5.373
73 HB3 HIS 516 1HB HIS 516 -2.642 -7.065 5.383
74 HD1 HIS 516 1HD HIS 516 0.901 -8.148 4.965
75 HD2 HIS 516 2HD HIS 516 -2.902 -9.825 4.898
76 HE1 HIS 516 1HE HIS 516 1.261 -10.636 5.042
77 HE2 HIS 516 2HE HIS 516 -1.055 -11.627 5.078
78 H TYR 517 H TYR 517 -1.112 -7.887 1.402
79 HA TYR 517 HA TYR 517 1.676 -7.371 1.623
80 HB2 TYR 517 2HB TYR 517 -0.001 -8.571 -0.581
81 HB3 TYR 517 1HB TYR 517 1.752 -8.437 -0.671
82 HD1 TYR 517 1HD TYR 517 3.085 -9.519 1.285
83 HD2 TYR 517 2HD TYR 517 -0.962 -10.460 0.370
84 HE1 TYR 517 1HE TYR 517 3.312 -11.647 2.496
85 HE2 TYR 517 2HE TYR 517 -0.746 -12.590 1.579
86 HH TYR 517 HH TYR 517 2.207 -13.900 2.483
87 H TRP 518 H TRP 518 -0.844 -6.166 -0.583
88 HA TRP 518 HA TRP 518 1.068 -4.202 -1.624
89 HB2 TRP 518 2HB TRP 518 -1.521 -5.312 -2.656
90 HB3 TRP 518 1HB TRP 518 -0.884 -3.796 -3.284
91 HD1 TRP 518 HD TRP 518 1.529 -3.940 -4.569
92 HE1 TRP 518 1HE TRP 518 2.585 -5.876 -5.896
93 HE3 TRP 518 3HE TRP 518 -1.330 -7.792 -2.800
94 HZ2 TRP 518 2HZ TRP 518 2.249 -8.667 -6.160
95 HZ3 TRP 518 3HZ TRP 518 -0.899 -10.064 -3.641
96 HH2 TRP 518 HH TRP 518 0.855 -10.490 -5.287
97 H THR 519 H THR 519 -1.228 -4.366 0.756
98 HA THR 519 HA THR 519 -2.410 -2.846 1.949
99 HB THR 519 HB THR 519 -1.374 -0.784 2.400
100 HG1 THR 519 1HG THR 519 -0.953 0.436 0.762
101 HG21 THR 519 3HG2 THR 519 0.164 -2.517 2.981
102 HG22 THR 519 1HG2 THR 519 1.059 -1.155 2.309
103 HG23 THR 519 2HG2 THR 519 0.778 -2.592 1.327
104 H THR 520 H THR 520 -1.645 -0.699 -0.804
105 HA THR 520 HA THR 520 -3.986 -0.988 -2.251
106 HB THR 520 HB THR 520 -4.257 0.796 0.126
107 HG1 THR 520 1HG THR 520 -5.408 -1.271 -0.360
108 HG21 THR 520 3HG2 THR 520 -4.426 2.438 -1.625
109 HG22 THR 520 1HG2 THR 520 -6.025 2.106 -0.957
110 HG23 THR 520 2HG2 THR 520 -5.557 1.415 -2.513
111 H GLN 521 H GLN 521 -2.260 1.804 -0.859
112 HA GLN 521 HA GLN 521 -1.949 3.060 -3.407
113 HB2 GLN 521 2HB GLN 521 -1.288 3.677 -0.622
114 HB3 GLN 521 1HB GLN 521 -0.068 4.229 -1.762
115 HG2 GLN 521 2HG GLN 521 -1.737 5.950 -1.276
116 HG3 GLN 521 1HG GLN 521 -1.722 5.496 -2.979
117 HE21 GLN 521 1HE2 GLN 521 -3.308 4.503 0.039
118 HE22 GLN 521 2HE2 GLN 521 -4.885 4.337 -0.644
119 H ASP 522 H ASP 522 -0.440 0.512 -1.846
120 HA ASP 522 HA ASP 522 2.065 0.912 -3.219
121 HB2 ASP 522 2HB ASP 522 1.387 -1.447 -1.485
122 HB3 ASP 522 1HB ASP 522 2.980 -0.838 -1.911
123 H GLU 523 H GLU 523 -0.906 -0.503 -3.770
124 HA GLU 523 HA GLU 523 -0.515 -2.894 -5.009
125 HB2 GLU 523 2HB GLU 523 -2.507 -2.472 -6.260
126 HB3 GLU 523 1HB GLU 523 -2.691 -1.675 -4.704
127 HG2 GLU 523 2HG GLU 523 -3.272 0.136 -5.837
128 HG3 GLU 523 1HG GLU 523 -1.576 0.278 -6.297
129 H GLY 524 H GLY 524 0.484 0.243 -6.136
130 HA2 GLY 524 2HA GLY 524 2.487 -0.278 -7.743
131 HA3 GLY 524 1HA GLY 524 1.172 -0.825 -8.772
132 H ALA 525 H ALA 525 1.294 1.962 -6.578
133 HA ALA 525 HA ALA 525 0.581 3.652 -8.865
134 HB1 ALA 525 1HB ALA 525 -0.048 3.719 -5.983
135 HB2 ALA 525 2HB ALA 525 -1.045 4.144 -7.375
136 HB3 ALA 525 3HB ALA 525 0.167 5.278 -6.778
137 H ALA 526 H ALA 526 2.543 3.941 -5.894
138 HA ALA 526 HA ALA 526 4.527 5.427 -7.466
139 HB1 ALA 526 1HB ALA 526 4.148 6.248 -4.647
140 HB2 ALA 526 2HB ALA 526 2.922 6.762 -5.805
141 HB3 ALA 526 3HB ALA 526 4.611 7.208 -6.052
142 H ILE 527 H ILE 527 4.547 2.745 -6.907
143 HA ILE 527 HA ILE 527 6.370 2.370 -4.684
144 HB ILE 527 HB ILE 527 6.060 -0.056 -5.172
145 HG12 ILE 527 2HG1 ILE 527 4.151 -0.662 -6.654
146 HG13 ILE 527 1HG1 ILE 527 4.036 1.017 -7.171
147 HG21 ILE 527 1HG2 ILE 527 4.747 0.881 -3.462
148 HG22 ILE 527 2HG2 ILE 527 3.602 0.012 -4.484
149 HG23 ILE 527 3HG2 ILE 527 3.742 1.768 -4.610
150 HD11 ILE 527 3HD1 ILE 527 5.928 0.883 -8.454
151 HD12 ILE 527 1HD1 ILE 527 5.288 -0.751 -8.619
152 HD13 ILE 527 2HD1 ILE 527 6.616 -0.433 -7.503
153 H GLY 528 H GLY 528 6.727 3.204 -7.830
154 HA2 GLY 528 2HA GLY 528 8.658 1.457 -8.844
155 HA3 GLY 528 1HA GLY 528 8.467 3.136 -9.314
156 H LEU 529 H LEU 529 8.998 3.655 -6.227
157 HA LEU 529 HA LEU 529 11.894 3.823 -6.633
158 HB2 LEU 529 2HB LEU 529 11.706 5.315 -4.543
159 HB3 LEU 529 1HB LEU 529 11.113 5.927 -6.075
160 HG LEU 529 HG LEU 529 9.135 4.551 -4.347
161 HD11 LEU 529 1HD1 LEU 529 10.400 5.872 -2.721
162 HD12 LEU 529 2HD1 LEU 529 8.782 6.526 -2.973
163 HD13 LEU 529 3HD1 LEU 529 10.175 7.311 -3.717
164 HD21 LEU 529 3HD2 LEU 529 8.970 7.159 -5.840
165 HD22 LEU 529 1HD2 LEU 529 7.644 6.141 -5.278
166 HD23 LEU 529 2HD2 LEU 529 8.680 5.592 -6.596
167 H ALA 530 H ALA 530 9.502 2.462 -4.465
168 HA ALA 530 HA ALA 530 11.627 1.340 -2.775
169 HB1 ALA 530 1HB ALA 530 8.755 1.030 -2.125
170 HB2 ALA 530 2HB ALA 530 9.486 2.629 -1.976
171 HB3 ALA 530 3HB ALA 530 10.139 1.274 -1.057
172 H TRP 531 H TRP 531 9.991 0.415 -5.449
173 HA TRP 531 HA TRP 531 8.925 -2.081 -4.895
174 HB2 TRP 531 2HB TRP 531 8.703 -0.845 -7.018
175 HB3 TRP 531 1HB TRP 531 10.372 -1.247 -7.401
176 HD1 TRP 531 HD TRP 531 10.747 -3.463 -8.674
177 HE1 TRP 531 1HE TRP 531 9.278 -5.484 -9.292
178 HE3 TRP 531 3HE TRP 531 6.562 -2.276 -5.990
179 HZ2 TRP 531 2HZ TRP 531 6.687 -6.448 -8.717
180 HZ3 TRP 531 3HZ TRP 531 4.631 -3.800 -6.078
181 HH2 TRP 531 HH TRP 531 4.694 -5.842 -7.414
182 H ILE 532 H ILE 532 12.163 -1.134 -4.637
183 HA ILE 532 HA ILE 532 12.967 -3.954 -4.513
184 HB ILE 532 HB ILE 532 15.204 -3.305 -5.343
185 HG12 ILE 532 2HG1 ILE 532 14.666 -0.906 -6.702
186 HG13 ILE 532 1HG1 ILE 532 14.064 -0.650 -5.067
187 HG21 ILE 532 1HG2 ILE 532 12.712 -3.116 -6.924
188 HG22 ILE 532 2HG2 ILE 532 14.079 -4.222 -7.084
189 HG23 ILE 532 3HG2 ILE 532 14.194 -2.582 -7.722
190 HD11 ILE 532 3HD1 ILE 532 16.589 -1.874 -4.829
191 HD12 ILE 532 1HD1 ILE 532 16.126 -0.224 -4.412
192 HD13 ILE 532 2HD1 ILE 532 16.739 -0.586 -6.026
193 HA PRO 533 HA PRO 533 13.479 -1.818 -0.369
194 HB2 PRO 533 2HB PRO 533 13.456 -4.389 0.803
195 HB3 PRO 533 1HB PRO 533 12.136 -3.220 0.783
196 HG2 PRO 533 2HG PRO 533 12.612 -5.571 -0.968
197 HG3 PRO 533 1HG PRO 533 11.081 -4.860 -0.427
198 HD2 PRO 533 2HD PRO 533 11.972 -4.529 -2.932
199 HD3 PRO 533 1HD PRO 533 11.115 -3.228 -2.078
200 H TYR 534 H TYR 534 15.633 -1.262 -0.951
201 HA TYR 534 HA TYR 534 17.664 -3.341 -0.626
202 HB2 TYR 534 2HB TYR 534 17.512 -0.774 -2.034
203 HB3 TYR 534 1HB TYR 534 19.025 -1.008 -1.164
204 HD1 TYR 534 1HD TYR 534 16.888 -3.511 -2.912
205 HD2 TYR 534 2HD TYR 534 20.608 -1.447 -2.816
206 HE1 TYR 534 1HE TYR 534 17.717 -4.929 -4.743
207 HE2 TYR 534 2HE TYR 534 21.445 -2.858 -4.647
208 HH TYR 534 HH TYR 534 20.245 -5.663 -5.504
209 H PHE 535 H PHE 535 16.119 -0.928 1.183
210 HA PHE 535 HA PHE 535 18.321 -0.221 2.875
211 HB2 PHE 535 2HB PHE 535 16.082 1.062 2.379
212 HB3 PHE 535 1HB PHE 535 15.467 0.099 3.717
213 HD1 PHE 535 2HD PHE 535 18.486 2.149 2.925
214 HD2 PHE 535 1HD PHE 535 15.519 1.081 5.781
215 HE1 PHE 535 2HE PHE 535 19.443 3.763 4.516
216 HE2 PHE 535 1HE PHE 535 16.469 2.694 7.378
217 HZ PHE 535 HZ PHE 535 18.435 4.037 6.746
218 H GLY 536 H GLY 536 15.722 -2.593 2.979
219 HA2 GLY 536 2HA GLY 536 16.685 -4.607 4.315
220 HA3 GLY 536 1HA GLY 536 16.618 -3.457 5.640
221 HA PRO 537 HA PRO 537 12.292 -4.217 6.184
222 HB2 PRO 537 2HB PRO 537 11.171 -1.638 5.566
223 HB3 PRO 537 1HB PRO 537 11.523 -2.326 7.150
224 HG2 PRO 537 2HG PRO 537 12.851 -0.184 6.032
225 HG3 PRO 537 1HG PRO 537 13.500 -1.217 7.318
226 HD2 PRO 537 2HD PRO 537 14.085 -1.222 4.394
227 HD3 PRO 537 1HD PRO 537 15.160 -1.569 5.765
228 H ALA 538 H ALA 538 9.910 -3.464 5.197
229 HA ALA 538 HA ALA 538 9.670 -4.851 2.792
230 HB1 ALA 538 1HB ALA 538 7.834 -2.852 4.098
231 HB2 ALA 538 2HB ALA 538 7.743 -4.612 4.161
232 HB3 ALA 538 3HB ALA 538 7.401 -3.764 2.652
233 H ALA 539 H ALA 539 9.743 -1.358 3.394
234 HA ALA 539 HA ALA 539 10.369 0.403 2.081
235 HB1 ALA 539 1HB ALA 539 11.267 -1.560 0.008
236 HB2 ALA 539 2HB ALA 539 12.222 -1.194 1.449
237 HB3 ALA 539 3HB ALA 539 11.848 0.083 0.290
238 H GLU 540 H GLU 540 9.288 -2.136 -0.098
239 HA GLU 540 HA GLU 540 8.190 -0.849 -2.152
240 HB2 GLU 540 2HB GLU 540 7.370 -3.278 -0.651
241 HB3 GLU 540 1HB GLU 540 6.316 -2.703 -1.937
242 HG2 GLU 540 2HG GLU 540 8.879 -2.677 -3.030
243 HG3 GLU 540 1HG GLU 540 8.796 -4.162 -2.087
244 H GLY 541 H GLY 541 6.856 -0.828 1.092
245 HA2 GLY 541 2HA GLY 541 4.664 0.879 0.085
246 HA3 GLY 541 1HA GLY 541 4.461 -0.239 1.422
247 H ILE 542 H ILE 542 7.176 0.503 2.478
248 HA ILE 542 HA ILE 542 6.276 2.900 3.878
249 HB ILE 542 HB ILE 542 8.229 2.403 5.424
250 HG12 ILE 542 2HG1 ILE 542 8.689 -0.193 5.329
251 HG13 ILE 542 1HG1 ILE 542 8.336 0.019 3.620
252 HG21 ILE 542 1HG2 ILE 542 5.715 0.893 5.109
253 HG22 ILE 542 2HG2 ILE 542 6.291 1.879 6.452
254 HG23 ILE 542 3HG2 ILE 542 6.891 0.234 6.247
255 HD11 ILE 542 3HD1 ILE 542 10.490 1.396 5.198
256 HD12 ILE 542 1HD1 ILE 542 10.097 1.742 3.513
257 HD13 ILE 542 2HD1 ILE 542 10.698 0.148 3.967
258 H TYR 543 H TYR 543 8.619 1.970 1.523
259 HA TYR 543 HA TYR 543 10.040 4.522 1.918
260 HB2 TYR 543 2HB TYR 543 10.963 1.870 1.257
261 HB3 TYR 543 1HB TYR 543 11.395 2.990 -0.028
262 HD1 TYR 543 1HD TYR 543 11.229 3.371 3.688
263 HD2 TYR 543 2HD TYR 543 13.627 3.538 0.177
264 HE1 TYR 543 1HE TYR 543 13.128 4.170 5.030
265 HE2 TYR 543 2HE TYR 543 15.533 4.337 1.510
266 HH TYR 543 HH TYR 543 16.320 4.343 3.780
267 H ALA 544 H ALA 544 7.727 2.983 0.067
268 HA ALA 544 HA ALA 544 8.215 4.626 -2.316
269 HB1 ALA 544 1HB ALA 544 6.051 3.002 -2.838
270 HB2 ALA 544 2HB ALA 544 7.070 2.002 -1.799
271 HB3 ALA 544 3HB ALA 544 7.724 2.676 -3.293
272 H GLU 545 H GLU 545 5.892 3.837 0.196
273 HA GLU 545 HA GLU 545 4.284 6.185 -0.588
274 HB2 GLU 545 2HB GLU 545 2.998 4.199 -0.928
275 HB3 GLU 545 1HB GLU 545 3.473 3.553 0.638
276 HG2 GLU 545 2HG GLU 545 1.215 4.326 0.783
277 HG3 GLU 545 1HG GLU 545 2.241 5.414 1.721
278 H GLY 546 H GLY 546 5.738 4.380 2.037
279 HA2 GLY 546 2HA GLY 546 5.891 4.796 4.304
280 HA3 GLY 546 1HA GLY 546 6.459 6.344 3.706
281 H LEU 547 H LEU 547 3.177 4.871 3.842
282 HA LEU 547 HA LEU 547 2.258 6.366 5.981
283 HB2 LEU 547 2HB LEU 547 2.010 8.436 5.246
284 HB3 LEU 547 1HB LEU 547 2.669 7.965 3.696
285 HG LEU 547 HG LEU 547 -0.208 7.388 4.041
286 HD11 LEU 547 1HD1 LEU 547 0.867 10.194 4.058
287 HD12 LEU 547 2HD1 LEU 547 -0.245 9.448 5.206
288 HD13 LEU 547 3HD1 LEU 547 -0.773 9.784 3.557
289 HD21 LEU 547 3HD2 LEU 547 0.228 8.918 1.781
290 HD22 LEU 547 1HD2 LEU 547 0.177 7.157 1.853
291 HD23 LEU 547 2HD2 LEU 547 1.723 7.997 1.957
292 H MET 548 H MET 548 0.973 5.666 2.733
293 HA MET 548 HA MET 548 -1.452 4.609 3.901
294 HB2 MET 548 2HB MET 548 -0.564 5.391 1.186
295 HB3 MET 548 1HB MET 548 -1.751 4.095 1.270
296 HG2 MET 548 2HG MET 548 -3.397 5.505 1.749
297 HG3 MET 548 1HG MET 548 -2.450 6.312 2.996
298 HE1 MET 548 3HE MET 548 -4.010 8.924 0.324
299 HE2 MET 548 1HE MET 548 -4.474 7.857 1.650
300 HE3 MET 548 2HE MET 548 -4.462 7.252 -0.006
301 H HIS 549 H HIS 549 1.399 3.278 3.849
302 HA HIS 549 HA HIS 549 1.012 0.855 2.443
303 HB2 HIS 549 2HB HIS 549 3.260 1.405 2.925
304 HB3 HIS 549 1HB HIS 549 2.913 1.708 4.622
305 HD1 HIS 549 1HD HIS 549 3.006 -1.235 2.212
306 HD2 HIS 549 2HD HIS 549 3.515 -0.378 6.245
307 HE1 HIS 549 1HE HIS 549 3.767 -3.387 3.264
308 HE2 HIS 549 2HE HIS 549 4.165 -2.818 5.685
309 H ASN 550 H ASN 550 -0.406 2.062 5.232
310 HA ASN 550 HA ASN 550 -0.818 -0.556 6.427
311 HB2 ASN 550 2HB ASN 550 -0.320 1.310 7.926
312 HB3 ASN 550 1HB ASN 550 -1.701 2.208 7.298
313 HD21 ASN 550 1HD2 ASN 550 -2.195 2.268 9.635
314 HD22 ASN 550 2HD2 ASN 550 -3.112 0.964 10.304
315 H GLN 551 H GLN 551 -2.468 1.751 4.461
316 HA GLN 551 HA GLN 551 -5.124 0.887 4.929
317 HB2 GLN 551 2HB GLN 551 -4.548 1.895 2.221
318 HB3 GLN 551 1HB GLN 551 -5.735 2.438 3.396
319 HG2 GLN 551 2HG GLN 551 -2.803 3.101 3.435
320 HG3 GLN 551 1HG GLN 551 -4.092 4.159 2.866
321 HE21 GLN 551 1HE2 GLN 551 -2.138 3.499 5.410
322 HE22 GLN 551 2HE2 GLN 551 -3.078 4.182 6.689
323 H ASP 552 H ASP 552 -4.482 -1.426 4.965
324 HA ASP 552 HA ASP 552 -4.114 -2.683 2.376
325 HB2 ASP 552 2HB ASP 552 -4.088 -4.800 3.758
326 HB3 ASP 552 1HB ASP 552 -2.812 -3.641 4.119
327 H GLY 553 H GLY 553 -6.682 -1.304 3.233
328 HA2 GLY 553 2HA GLY 553 -8.697 -2.086 1.978
329 HA3 GLY 553 1HA GLY 553 -8.480 -3.609 2.828
330 H LEU 554 H LEU 554 -7.710 -2.355 5.313
331 HA LEU 554 HA LEU 554 -10.117 -2.229 6.667
332 HB2 LEU 554 2HB LEU 554 -7.671 -0.649 7.430
333 HB3 LEU 554 1HB LEU 554 -8.892 -1.321 8.500
334 HG LEU 554 HG LEU 554 -7.617 -3.409 6.945
335 HD11 LEU 554 1HD1 LEU 554 -5.732 -1.800 6.993
336 HD12 LEU 554 2HD1 LEU 554 -5.408 -3.292 7.877
337 HD13 LEU 554 3HD1 LEU 554 -5.811 -1.817 8.756
338 HD21 LEU 554 3HD2 LEU 554 -8.623 -4.258 8.785
339 HD22 LEU 554 1HD2 LEU 554 -8.345 -2.804 9.744
340 HD23 LEU 554 2HD2 LEU 554 -7.037 -3.962 9.498
341 H ILE 555 H ILE 555 -8.038 0.481 5.773
342 HA ILE 555 HA ILE 555 -9.955 2.483 6.390
343 HB ILE 555 HB ILE 555 -7.427 2.601 4.768
344 HG12 ILE 555 2HG1 ILE 555 -6.585 2.025 6.812
345 HG13 ILE 555 1HG1 ILE 555 -6.706 3.765 7.046
346 HG21 ILE 555 1HG2 ILE 555 -8.120 5.047 6.120
347 HG22 ILE 555 2HG2 ILE 555 -9.418 4.536 5.042
348 HG23 ILE 555 3HG2 ILE 555 -7.787 4.766 4.412
349 HD11 ILE 555 3HD1 ILE 555 -8.421 1.588 8.155
350 HD12 ILE 555 1HD1 ILE 555 -9.045 3.232 8.009
351 HD13 ILE 555 2HD1 ILE 555 -7.613 2.916 8.990
352 H CYS 556 H CYS 556 -11.517 1.083 4.932
353 HA CYS 556 HA CYS 556 -11.352 1.548 2.111
354 HB2 CYS 556 2HB CYS 556 -12.516 -0.401 3.357
355 HB3 CYS 556 1HB CYS 556 -13.856 0.722 3.558
356 H GLY 557 H GLY 557 -12.212 3.516 4.679
357 HA2 GLY 557 2HA GLY 557 -14.422 4.898 3.502
358 HA3 GLY 557 1HA GLY 557 -13.472 5.435 4.878
359 H LEU 558 H LEU 558 -11.198 4.856 2.636
360 HA LEU 558 HA LEU 558 -10.597 7.540 2.176
361 HB2 LEU 558 2HB LEU 558 -9.054 6.664 0.407
362 HB3 LEU 558 1HB LEU 558 -8.853 5.946 1.994
363 HG LEU 558 HG LEU 558 -10.567 4.169 0.888
364 HD11 LEU 558 1HD1 LEU 558 -8.965 4.098 -1.431
365 HD12 LEU 558 2HD1 LEU 558 -9.614 5.732 -1.301
366 HD13 LEU 558 3HD1 LEU 558 -10.706 4.348 -1.315
367 HD21 LEU 558 3HD2 LEU 558 -8.859 2.741 1.177
368 HD22 LEU 558 1HD2 LEU 558 -8.018 4.149 1.827
369 HD23 LEU 558 2HD2 LEU 558 -7.772 3.673 0.147
370 H ARG 559 H ARG 559 -12.154 5.174 0.051
371 HA ARG 559 HA ARG 559 -13.519 5.415 -1.761
372 HB2 ARG 559 2HB ARG 559 -13.787 8.311 -0.966
373 HB3 ARG 559 1HB ARG 559 -14.905 7.358 -1.928
374 HG2 ARG 559 2HG ARG 559 -14.543 7.480 1.003
375 HG3 ARG 559 1HG ARG 559 -16.013 7.310 0.047
376 HD2 ARG 559 2HD ARG 559 -15.083 4.961 -0.509
377 HD3 ARG 559 1HD ARG 559 -14.053 5.215 0.897
378 HE ARG 559 HE ARG 559 -15.965 5.210 2.274
379 HH11 ARG 559 1HH1 ARG 559 -16.756 4.606 -1.080
380 HH12 ARG 559 2HH1 ARG 559 -18.309 3.937 -0.715
381 HH21 ARG 559 1HH2 ARG 559 -18.007 4.331 2.741
382 HH22 ARG 559 2HH2 ARG 559 -19.019 3.781 1.447
383 H GLN 560 H GLN 560 -13.809 6.736 -3.822
384 HA GLN 560 HA GLN 560 -12.825 7.319 -5.788
385 HB2 GLN 560 2HB GLN 560 -11.462 9.321 -3.983
386 HB3 GLN 560 1HB GLN 560 -11.633 9.459 -5.728
387 HG2 GLN 560 2HG GLN 560 -13.434 10.684 -5.229
388 HG3 GLN 560 1HG GLN 560 -14.214 9.123 -4.982
389 HE21 GLN 560 1HE2 GLN 560 -15.290 8.950 -3.168
390 HE22 GLN 560 2HE2 GLN 560 -14.951 9.778 -1.691
Start of MODEL 10
1 H1 ALA 507 1HT ALA 507 -19.246 5.856 -1.209
2 H2 ALA 507 2HT ALA 507 -18.756 4.328 -0.599
3 H3 ALA 507 3HT ALA 507 -20.230 4.476 -1.467
4 HA ALA 507 HA ALA 507 -19.203 4.766 -3.454
5 HB1 ALA 507 2HB ALA 507 -16.618 5.012 -3.454
6 HB2 ALA 507 3HB ALA 507 -16.851 5.562 -1.799
7 HB3 ALA 507 1HB ALA 507 -17.626 6.422 -3.128
8 H GLN 508 H GLN 508 -17.175 3.461 -4.438
9 HA GLN 508 HA GLN 508 -17.062 0.857 -3.079
10 HB2 GLN 508 2HB GLN 508 -17.861 1.470 -5.900
11 HB3 GLN 508 1HB GLN 508 -17.045 -0.047 -5.547
12 HG2 GLN 508 2HG GLN 508 -18.866 -0.945 -4.635
13 HG3 GLN 508 1HG GLN 508 -19.250 0.519 -3.731
14 HE21 GLN 508 1HE2 GLN 508 -21.445 -0.297 -4.388
15 HE22 GLN 508 2HE2 GLN 508 -22.083 0.293 -5.881
16 HA PRO 509 HA PRO 509 -12.817 2.353 -4.143
17 HB2 PRO 509 2HB PRO 509 -12.151 1.232 -1.521
18 HB3 PRO 509 1HB PRO 509 -11.904 2.869 -2.135
19 HG2 PRO 509 2HG PRO 509 -13.722 2.308 -0.223
20 HG3 PRO 509 1HG PRO 509 -13.965 3.594 -1.419
21 HD2 PRO 509 2HD PRO 509 -15.101 0.823 -1.357
22 HD3 PRO 509 1HD PRO 509 -15.891 2.357 -1.787
23 H LYS 510 H LYS 510 -13.150 -0.463 -2.009
24 HA LYS 510 HA LYS 510 -12.726 -2.452 -3.879
25 HB2 LYS 510 2HB LYS 510 -10.360 -3.026 -3.466
26 HB3 LYS 510 1HB LYS 510 -10.554 -1.477 -4.271
27 HG2 LYS 510 2HG LYS 510 -9.709 -0.311 -2.541
28 HG3 LYS 510 1HG LYS 510 -10.415 -1.385 -1.333
29 HD2 LYS 510 2HD LYS 510 -8.001 -2.008 -3.033
30 HD3 LYS 510 1HD LYS 510 -7.963 -1.502 -1.342
31 HE2 LYS 510 2HE LYS 510 -8.032 -3.674 -0.837
32 HE3 LYS 510 1HE LYS 510 -9.724 -3.621 -1.331
33 HZ1 LYS 510 3HZ LYS 510 -7.425 -4.754 -2.704
34 HZ2 LYS 510 1HZ LYS 510 -8.552 -3.959 -3.684
35 HZ3 LYS 510 2HZ LYS 510 -9.042 -5.251 -2.707
36 H CYS 511 H CYS 511 -12.164 -1.325 -0.664
37 HA CYS 511 HA CYS 511 -12.152 -2.366 1.388
38 HB2 CYS 511 2HB CYS 511 -14.661 -2.642 0.016
39 HB3 CYS 511 1HB CYS 511 -14.428 -4.003 1.110
40 H ASN 512 H ASN 512 -10.292 -3.643 1.253
41 HA ASN 512 HA ASN 512 -10.792 -6.467 1.474
42 HB2 ASN 512 2HB ASN 512 -10.109 -5.532 -1.055
43 HB3 ASN 512 1HB ASN 512 -8.584 -6.117 -0.398
44 HD21 ASN 512 1HD2 ASN 512 -10.762 -7.044 -2.413
45 HD22 ASN 512 2HD2 ASN 512 -10.922 -8.725 -2.045
46 HA PRO 513 HA PRO 513 -7.380 -4.806 4.122
47 HB2 PRO 513 2HB PRO 513 -8.321 -5.714 6.471
48 HB3 PRO 513 1HB PRO 513 -8.896 -4.208 5.743
49 HG2 PRO 513 2HG PRO 513 -10.164 -6.919 5.748
50 HG3 PRO 513 1HG PRO 513 -10.916 -5.330 5.979
51 HD2 PRO 513 2HD PRO 513 -10.962 -6.709 3.613
52 HD3 PRO 513 1HD PRO 513 -11.068 -4.939 3.725
53 H ASN 514 H ASN 514 -7.899 -7.577 2.728
54 HA ASN 514 HA ASN 514 -6.447 -9.285 4.598
55 HB2 ASN 514 2HB ASN 514 -8.377 -10.325 3.624
56 HB3 ASN 514 1HB ASN 514 -7.879 -9.864 2.001
57 HD21 ASN 514 1HD2 ASN 514 -8.176 -12.149 1.565
58 HD22 ASN 514 2HD2 ASN 514 -6.885 -13.247 1.906
59 H LEU 515 H LEU 515 -6.107 -7.731 1.464
60 HA LEU 515 HA LEU 515 -3.502 -8.962 1.039
61 HB2 LEU 515 2HB LEU 515 -3.529 -7.635 -1.083
62 HB3 LEU 515 1HB LEU 515 -4.827 -8.800 -0.921
63 HG LEU 515 HG LEU 515 -5.755 -6.307 0.103
64 HD11 LEU 515 1HD1 LEU 515 -5.604 -4.930 -1.920
65 HD12 LEU 515 2HD1 LEU 515 -4.527 -6.125 -2.643
66 HD13 LEU 515 3HD1 LEU 515 -4.018 -5.234 -1.209
67 HD21 LEU 515 3HD2 LEU 515 -6.420 -8.020 -2.274
68 HD22 LEU 515 1HD2 LEU 515 -7.316 -6.555 -1.879
69 HD23 LEU 515 2HD2 LEU 515 -7.276 -7.898 -0.738
70 H HIS 516 H HIS 516 -2.708 -7.909 3.051
71 HA HIS 516 HA HIS 516 -2.261 -5.066 2.990
72 HB2 HIS 516 2HB HIS 516 -0.879 -5.554 5.056
73 HB3 HIS 516 1HB HIS 516 -2.580 -5.997 5.148
74 HD1 HIS 516 1HD HIS 516 0.648 -7.765 4.146
75 HD2 HIS 516 2HD HIS 516 -2.886 -8.449 6.221
76 HE1 HIS 516 1HE HIS 516 0.829 -10.115 5.026
77 HE2 HIS 516 2HE HIS 516 -1.355 -10.533 6.210
78 H TYR 517 H TYR 517 -0.763 -7.629 1.475
79 HA TYR 517 HA TYR 517 1.962 -6.892 1.744
80 HB2 TYR 517 2HB TYR 517 0.426 -8.644 -0.138
81 HB3 TYR 517 1HB TYR 517 2.108 -8.254 -0.484
82 HD1 TYR 517 2HD TYR 517 -0.160 -9.939 1.879
83 HD2 TYR 517 1HD TYR 517 3.890 -9.224 0.791
84 HE1 TYR 517 2HE TYR 517 0.557 -11.740 3.392
85 HE2 TYR 517 1HE TYR 517 4.619 -11.023 2.300
86 HH TYR 517 HH TYR 517 2.720 -12.317 4.672
87 H TRP 518 H TRP 518 -0.613 -5.822 -0.373
88 HA TRP 518 HA TRP 518 1.328 -4.089 -1.759
89 HB2 TRP 518 2HB TRP 518 -1.206 -5.364 -2.771
90 HB3 TRP 518 1HB TRP 518 -0.412 -4.037 -3.613
91 HD1 TRP 518 HD TRP 518 2.406 -4.657 -4.036
92 HE1 TRP 518 1HE TRP 518 3.312 -6.831 -5.072
93 HE3 TRP 518 3HE TRP 518 -1.620 -7.694 -3.195
94 HZ2 TRP 518 2HZ TRP 518 2.435 -9.484 -5.479
95 HZ3 TRP 518 3HZ TRP 518 -1.505 -10.037 -3.939
96 HH2 TRP 518 HH TRP 518 0.481 -10.912 -5.057
97 H THR 519 H THR 519 -1.222 -4.064 0.420
98 HA THR 519 HA THR 519 -2.518 -2.434 1.312
99 HB THR 519 HB THR 519 -1.548 -0.348 1.639
100 HG1 THR 519 1HG THR 519 -0.697 0.842 0.084
101 HG21 THR 519 3HG2 THR 519 0.135 -1.885 2.325
102 HG22 THR 519 1HG2 THR 519 0.919 -0.526 1.520
103 HG23 THR 519 2HG2 THR 519 0.730 -2.061 0.673
104 H THR 520 H THR 520 -1.623 -0.709 -1.698
105 HA THR 520 HA THR 520 -3.792 -1.329 -3.259
106 HB THR 520 HB THR 520 -4.466 0.622 -1.130
107 HG1 THR 520 1HG THR 520 -5.816 -0.987 -1.030
108 HG21 THR 520 3HG2 THR 520 -5.089 1.134 -3.994
109 HG22 THR 520 1HG2 THR 520 -4.687 2.270 -2.706
110 HG23 THR 520 2HG2 THR 520 -6.283 1.519 -2.752
111 H GLN 521 H GLN 521 -2.435 1.767 -2.118
112 HA GLN 521 HA GLN 521 -1.968 2.682 -4.792
113 HB2 GLN 521 2HB GLN 521 -1.160 3.733 -2.084
114 HB3 GLN 521 1HB GLN 521 -0.653 4.504 -3.581
115 HG2 GLN 521 2HG GLN 521 -3.332 4.302 -3.965
116 HG3 GLN 521 1HG GLN 521 -3.242 4.543 -2.221
117 HE21 GLN 521 1HE2 GLN 521 -1.684 6.336 -1.577
118 HE22 GLN 521 2HE2 GLN 521 -1.780 7.794 -2.497
119 H ASP 522 H ASP 522 -0.443 0.558 -2.722
120 HA ASP 522 HA ASP 522 2.176 1.018 -3.844
121 HB2 ASP 522 2HB ASP 522 1.137 -0.575 -1.553
122 HB3 ASP 522 1HB ASP 522 2.655 -1.070 -2.294
123 H GLU 523 H GLU 523 -0.577 -0.739 -4.525
124 HA GLU 523 HA GLU 523 0.151 -3.226 -5.345
125 HB2 GLU 523 2HB GLU 523 -1.713 -3.195 -6.809
126 HB3 GLU 523 1HB GLU 523 -2.129 -2.127 -5.476
127 HG2 GLU 523 2HG GLU 523 -1.637 -0.188 -6.825
128 HG3 GLU 523 1HG GLU 523 -1.091 -1.214 -8.151
129 H GLY 524 H GLY 524 1.075 -0.201 -6.803
130 HA2 GLY 524 2HA GLY 524 3.285 -0.844 -8.099
131 HA3 GLY 524 1HA GLY 524 2.096 -1.538 -9.189
132 H ALA 525 H ALA 525 1.869 1.464 -7.322
133 HA ALA 525 HA ALA 525 1.376 2.869 -9.838
134 HB1 ALA 525 1HB ALA 525 -0.164 2.916 -7.720
135 HB2 ALA 525 2HB ALA 525 0.066 4.365 -8.700
136 HB3 ALA 525 3HB ALA 525 0.961 4.168 -7.193
137 H ALA 526 H ALA 526 3.043 3.578 -6.763
138 HA ALA 526 HA ALA 526 5.153 4.898 -8.324
139 HB1 ALA 526 1HB ALA 526 4.269 6.845 -7.568
140 HB2 ALA 526 2HB ALA 526 5.187 6.433 -6.119
141 HB3 ALA 526 3HB ALA 526 3.464 6.068 -6.205
142 H ILE 527 H ILE 527 5.062 2.306 -7.306
143 HA ILE 527 HA ILE 527 6.744 2.330 -4.947
144 HB ILE 527 HB ILE 527 6.406 -0.138 -4.991
145 HG12 ILE 527 2HG1 ILE 527 4.524 -0.946 -6.459
146 HG13 ILE 527 1HG1 ILE 527 4.601 0.581 -7.328
147 HG21 ILE 527 1HG2 ILE 527 4.287 1.921 -4.767
148 HG22 ILE 527 2HG2 ILE 527 4.949 0.834 -3.539
149 HG23 ILE 527 3HG2 ILE 527 3.779 0.232 -4.711
150 HD11 ILE 527 3HD1 ILE 527 6.659 0.068 -8.275
151 HD12 ILE 527 1HD1 ILE 527 5.785 -1.464 -8.314
152 HD13 ILE 527 2HD1 ILE 527 7.009 -1.178 -7.077
153 H GLY 528 H GLY 528 7.304 2.567 -8.162
154 HA2 GLY 528 2HA GLY 528 9.245 0.639 -8.724
155 HA3 GLY 528 1HA GLY 528 9.124 2.208 -9.498
156 H LEU 529 H LEU 529 9.504 3.123 -6.414
157 HA LEU 529 HA LEU 529 12.407 3.299 -6.755
158 HB2 LEU 529 2HB LEU 529 12.329 5.120 -5.161
159 HB3 LEU 529 1HB LEU 529 11.186 5.391 -6.462
160 HG LEU 529 HG LEU 529 9.657 4.118 -4.539
161 HD11 LEU 529 1HD1 LEU 529 10.242 5.901 -2.633
162 HD12 LEU 529 2HD1 LEU 529 11.862 5.615 -3.269
163 HD13 LEU 529 3HD1 LEU 529 10.902 4.266 -2.661
164 HD21 LEU 529 3HD2 LEU 529 8.400 6.016 -4.629
165 HD22 LEU 529 1HD2 LEU 529 9.415 6.284 -6.046
166 HD23 LEU 529 2HD2 LEU 529 9.800 7.083 -4.522
167 H ALA 530 H ALA 530 9.974 2.148 -4.502
168 HA ALA 530 HA ALA 530 12.075 1.208 -2.679
169 HB1 ALA 530 1HB ALA 530 10.606 1.390 -0.975
170 HB2 ALA 530 2HB ALA 530 9.233 0.898 -1.967
171 HB3 ALA 530 3HB ALA 530 9.855 2.545 -2.075
172 H TRP 531 H TRP 531 10.483 0.014 -5.273
173 HA TRP 531 HA TRP 531 9.568 -2.484 -4.305
174 HB2 TRP 531 2HB TRP 531 9.250 -3.078 -6.594
175 HB3 TRP 531 1HB TRP 531 8.819 -1.382 -6.403
176 HD1 TRP 531 HD TRP 531 12.083 -0.555 -6.473
177 HE1 TRP 531 1HE TRP 531 13.148 -0.374 -8.809
178 HE3 TRP 531 3HE TRP 531 8.671 -3.279 -9.133
179 HZ2 TRP 531 2HZ TRP 531 12.612 -1.267 -11.434
180 HZ3 TRP 531 3HZ TRP 531 9.021 -3.568 -11.552
181 HH2 TRP 531 HH TRP 531 10.950 -2.582 -12.677
182 H ILE 532 H ILE 532 12.311 -1.881 -3.488
183 HA ILE 532 HA ILE 532 13.435 -4.445 -4.119
184 HB ILE 532 HB ILE 532 15.636 -3.529 -4.828
185 HG12 ILE 532 2HG1 ILE 532 14.559 -0.984 -5.770
186 HG13 ILE 532 1HG1 ILE 532 14.568 -1.098 -4.012
187 HG21 ILE 532 1HG2 ILE 532 13.367 -2.762 -6.657
188 HG22 ILE 532 2HG2 ILE 532 13.980 -4.401 -6.440
189 HG23 ILE 532 3HG2 ILE 532 15.020 -3.155 -7.131
190 HD11 ILE 532 3HD1 ILE 532 16.880 -1.243 -5.908
191 HD12 ILE 532 1HD1 ILE 532 16.998 -1.823 -4.246
192 HD13 ILE 532 2HD1 ILE 532 16.614 -0.130 -4.565
193 HA PRO 533 HA PRO 533 13.740 -3.086 0.350
194 HB2 PRO 533 2HB PRO 533 14.426 -5.999 0.246
195 HB3 PRO 533 1HB PRO 533 13.479 -5.112 1.445
196 HG2 PRO 533 2HG PRO 533 12.310 -6.593 -0.468
197 HG3 PRO 533 1HG PRO 533 11.585 -5.096 0.137
198 HD2 PRO 533 2HD PRO 533 12.823 -5.653 -2.472
199 HD3 PRO 533 1HD PRO 533 11.696 -4.362 -2.012
200 H TYR 534 H TYR 534 15.647 -1.836 -0.233
201 HA TYR 534 HA TYR 534 18.173 -3.308 -0.279
202 HB2 TYR 534 2HB TYR 534 17.428 -1.242 -1.797
203 HB3 TYR 534 1HB TYR 534 18.102 -0.336 -0.447
204 HD1 TYR 534 2HD TYR 534 20.504 -0.986 0.291
205 HD2 TYR 534 1HD TYR 534 18.828 -2.029 -3.479
206 HE1 TYR 534 2HE TYR 534 22.765 -1.311 -0.618
207 HE2 TYR 534 1HE TYR 534 21.086 -2.357 -4.398
208 HH TYR 534 HH TYR 534 23.786 -2.705 -2.562
209 H PHE 535 H PHE 535 16.675 -0.597 1.476
210 HA PHE 535 HA PHE 535 18.687 -0.209 3.359
211 HB2 PHE 535 2HB PHE 535 16.048 0.751 2.902
212 HB3 PHE 535 1HB PHE 535 16.159 0.288 4.597
213 HD1 PHE 535 2HD PHE 535 17.982 2.230 1.996
214 HD2 PHE 535 1HD PHE 535 17.050 1.769 6.122
215 HE1 PHE 535 2HE PHE 535 19.144 4.342 2.490
216 HE2 PHE 535 1HE PHE 535 18.210 3.880 6.624
217 HZ PHE 535 HZ PHE 535 19.260 5.169 4.807
218 H GLY 536 H GLY 536 16.040 -2.527 3.322
219 HA2 GLY 536 2HA GLY 536 16.982 -4.575 4.673
220 HA3 GLY 536 1HA GLY 536 16.762 -3.452 6.006
221 HA PRO 537 HA PRO 537 12.478 -4.376 6.466
222 HB2 PRO 537 2HB PRO 537 11.124 -2.042 5.924
223 HB3 PRO 537 1HB PRO 537 11.926 -2.396 7.457
224 HG2 PRO 537 2HG PRO 537 12.899 -0.781 5.136
225 HG3 PRO 537 1HG PRO 537 13.047 -0.451 6.873
226 HD2 PRO 537 2HD PRO 537 15.102 -1.425 5.462
227 HD3 PRO 537 1HD PRO 537 14.802 -1.945 7.133
228 H ALA 538 H ALA 538 10.197 -3.679 5.281
229 HA ALA 538 HA ALA 538 10.246 -5.093 2.851
230 HB1 ALA 538 1HB ALA 538 8.228 -5.027 4.154
231 HB2 ALA 538 2HB ALA 538 7.904 -4.294 2.582
232 HB3 ALA 538 3HB ALA 538 8.135 -3.272 4.002
233 H ALA 539 H ALA 539 9.788 -1.638 3.502
234 HA ALA 539 HA ALA 539 10.296 0.239 2.281
235 HB1 ALA 539 1HB ALA 539 12.443 -1.012 1.901
236 HB2 ALA 539 2HB ALA 539 12.011 0.164 0.658
237 HB3 ALA 539 3HB ALA 539 11.751 -1.560 0.371
238 H GLU 540 H GLU 540 9.591 -2.520 0.227
239 HA GLU 540 HA GLU 540 8.733 -1.553 -2.094
240 HB2 GLU 540 2HB GLU 540 8.187 -3.850 -0.476
241 HB3 GLU 540 1HB GLU 540 6.737 -3.403 -1.368
242 HG2 GLU 540 2HG GLU 540 9.373 -3.615 -2.766
243 HG3 GLU 540 1HG GLU 540 8.432 -5.061 -2.402
244 H GLY 541 H GLY 541 7.071 -1.068 0.942
245 HA2 GLY 541 2HA GLY 541 5.063 0.543 -0.504
246 HA3 GLY 541 1HA GLY 541 4.621 -0.473 0.859
247 H ILE 542 H ILE 542 6.778 0.042 2.535
248 HA ILE 542 HA ILE 542 5.960 2.469 3.753
249 HB ILE 542 HB ILE 542 7.995 2.046 5.249
250 HG12 ILE 542 2HG1 ILE 542 8.185 -0.742 4.664
251 HG13 ILE 542 1HG1 ILE 542 8.515 0.147 3.182
252 HG21 ILE 542 1HG2 ILE 542 6.752 0.636 6.584
253 HG22 ILE 542 2HG2 ILE 542 6.158 -0.307 5.217
254 HG23 ILE 542 3HG2 ILE 542 5.516 1.308 5.520
255 HD11 ILE 542 3HD1 ILE 542 10.009 0.142 5.755
256 HD12 ILE 542 1HD1 ILE 542 10.106 1.537 4.680
257 HD13 ILE 542 2HD1 ILE 542 10.600 -0.056 4.104
258 H TYR 543 H TYR 543 8.522 1.682 1.518
259 HA TYR 543 HA TYR 543 9.641 4.385 1.887
260 HB2 TYR 543 2HB TYR 543 10.860 1.768 1.256
261 HB3 TYR 543 1HB TYR 543 11.477 3.128 0.326
262 HD1 TYR 543 2HD TYR 543 10.275 3.326 3.820
263 HD2 TYR 543 1HD TYR 543 13.663 3.224 1.247
264 HE1 TYR 543 2HE TYR 543 11.720 3.958 5.707
265 HE2 TYR 543 1HE TYR 543 15.117 3.855 3.127
266 HH TYR 543 HH TYR 543 14.847 3.543 5.849
267 H ALA 544 H ALA 544 7.720 2.512 -0.099
268 HA ALA 544 HA ALA 544 8.390 3.965 -2.553
269 HB1 ALA 544 1HB ALA 544 7.957 1.969 -3.438
270 HB2 ALA 544 2HB ALA 544 6.259 2.224 -3.031
271 HB3 ALA 544 3HB ALA 544 7.319 1.371 -1.907
272 H GLU 545 H GLU 545 5.956 3.600 -0.084
273 HA GLU 545 HA GLU 545 4.328 5.679 -1.407
274 HB2 GLU 545 2HB GLU 545 3.148 3.565 -1.307
275 HB3 GLU 545 1HB GLU 545 3.481 3.423 0.414
276 HG2 GLU 545 2HG GLU 545 1.356 4.201 0.517
277 HG3 GLU 545 1HG GLU 545 2.213 5.743 0.482
278 H GLY 546 H GLY 546 5.737 4.536 1.584
279 HA2 GLY 546 2HA GLY 546 5.780 5.440 3.713
280 HA3 GLY 546 1HA GLY 546 6.390 6.809 2.804
281 H LEU 547 H LEU 547 3.050 5.529 2.832
282 HA LEU 547 HA LEU 547 2.063 7.416 4.650
283 HB2 LEU 547 2HB LEU 547 1.935 9.289 3.486
284 HB3 LEU 547 1HB LEU 547 2.683 8.485 2.125
285 HG LEU 547 HG LEU 547 -0.225 8.044 2.344
286 HD11 LEU 547 1HD1 LEU 547 0.937 10.758 2.303
287 HD12 LEU 547 2HD1 LEU 547 -0.628 10.199 2.892
288 HD13 LEU 547 3HD1 LEU 547 -0.367 10.427 1.164
289 HD21 LEU 547 3HD2 LEU 547 1.684 7.686 0.443
290 HD22 LEU 547 1HD2 LEU 547 0.985 9.226 -0.054
291 HD23 LEU 547 2HD2 LEU 547 -0.043 7.804 0.116
292 H MET 548 H MET 548 0.936 6.094 1.538
293 HA MET 548 HA MET 548 -1.518 5.226 2.853
294 HB2 MET 548 2HB MET 548 -0.784 5.973 0.141
295 HB3 MET 548 1HB MET 548 -1.658 4.446 0.181
296 HG2 MET 548 2HG MET 548 -3.515 5.651 0.210
297 HG3 MET 548 1HG MET 548 -3.114 6.054 1.878
298 HE1 MET 548 3HE MET 548 -5.017 7.701 0.558
299 HE2 MET 548 1HE MET 548 -4.489 9.362 0.285
300 HE3 MET 548 2HE MET 548 -4.332 8.639 1.886
301 H HIS 549 H HIS 549 1.351 3.941 2.845
302 HA HIS 549 HA HIS 549 1.041 1.415 1.648
303 HB2 HIS 549 2HB HIS 549 3.258 2.043 2.169
304 HB3 HIS 549 1HB HIS 549 2.840 2.457 3.829
305 HD1 HIS 549 1HD HIS 549 3.606 0.788 5.473
306 HD2 HIS 549 2HD HIS 549 2.870 -0.939 1.766
307 HE1 HIS 549 1HE HIS 549 4.208 -1.640 5.731
308 HE2 HIS 549 2HE HIS 549 3.808 -2.654 3.460
309 H ASN 550 H ASN 550 -0.521 2.754 4.311
310 HA ASN 550 HA ASN 550 -0.873 0.201 5.643
311 HB2 ASN 550 2HB ASN 550 -1.397 3.047 6.350
312 HB3 ASN 550 1HB ASN 550 -2.341 1.801 7.166
313 HD21 ASN 550 1HD2 ASN 550 -0.034 3.713 7.873
314 HD22 ASN 550 2HD2 ASN 550 1.063 2.700 8.742
315 H GLN 551 H GLN 551 -2.767 2.496 3.788
316 HA GLN 551 HA GLN 551 -5.304 1.429 4.350
317 HB2 GLN 551 2HB GLN 551 -5.904 2.430 2.049
318 HB3 GLN 551 1HB GLN 551 -5.381 3.515 3.326
319 HG2 GLN 551 2HG GLN 551 -4.220 4.297 1.514
320 HG3 GLN 551 1HG GLN 551 -3.037 3.235 2.265
321 HE21 GLN 551 1HE2 GLN 551 -2.411 1.381 1.230
322 HE22 GLN 551 2HE2 GLN 551 -2.834 1.024 -0.404
323 H ASP 552 H ASP 552 -4.479 -0.869 4.324
324 HA ASP 552 HA ASP 552 -4.394 -2.060 1.663
325 HB2 ASP 552 2HB ASP 552 -3.882 -4.160 2.945
326 HB3 ASP 552 1HB ASP 552 -2.704 -2.868 3.156
327 H GLY 553 H GLY 553 -6.864 -0.946 3.057
328 HA2 GLY 553 2HA GLY 553 -9.011 -1.909 2.203
329 HA3 GLY 553 1HA GLY 553 -8.487 -3.413 2.951
330 H LEU 554 H LEU 554 -7.325 -2.045 5.250
331 HA LEU 554 HA LEU 554 -9.445 -2.149 7.054
332 HB2 LEU 554 2HB LEU 554 -6.973 -0.458 7.383
333 HB3 LEU 554 1HB LEU 554 -7.940 -1.194 8.651
334 HG LEU 554 HG LEU 554 -6.857 -3.173 6.801
335 HD11 LEU 554 1HD1 LEU 554 -5.049 -1.495 6.674
336 HD12 LEU 554 2HD1 LEU 554 -4.545 -2.996 7.454
337 HD13 LEU 554 3HD1 LEU 554 -4.893 -1.569 8.429
338 HD21 LEU 554 3HD2 LEU 554 -5.909 -3.830 9.215
339 HD22 LEU 554 1HD2 LEU 554 -7.566 -4.161 8.710
340 HD23 LEU 554 2HD2 LEU 554 -7.212 -2.749 9.706
341 H ILE 555 H ILE 555 -7.798 0.654 5.681
342 HA ILE 555 HA ILE 555 -9.742 2.508 6.717
343 HB ILE 555 HB ILE 555 -7.386 2.864 4.875
344 HG12 ILE 555 2HG1 ILE 555 -6.394 2.314 6.876
345 HG13 ILE 555 1HG1 ILE 555 -6.542 4.058 7.064
346 HG21 ILE 555 1HG2 ILE 555 -7.965 4.980 4.547
347 HG22 ILE 555 2HG2 ILE 555 -8.148 5.248 6.280
348 HG23 ILE 555 3HG2 ILE 555 -9.503 4.634 5.336
349 HD11 ILE 555 3HD1 ILE 555 -7.232 3.158 9.105
350 HD12 ILE 555 1HD1 ILE 555 -8.188 1.895 8.327
351 HD13 ILE 555 2HD1 ILE 555 -8.730 3.573 8.270
352 H CYS 556 H CYS 556 -11.239 0.903 5.334
353 HA CYS 556 HA CYS 556 -11.474 1.557 2.552
354 HB2 CYS 556 2HB CYS 556 -12.110 -0.655 3.590
355 HB3 CYS 556 1HB CYS 556 -13.508 0.154 4.289
356 H GLY 557 H GLY 557 -12.339 3.188 5.338
357 HA2 GLY 557 2HA GLY 557 -14.896 4.193 4.667
358 HA3 GLY 557 1HA GLY 557 -13.777 4.907 5.812
359 H LEU 558 H LEU 558 -12.065 4.729 3.031
360 HA LEU 558 HA LEU 558 -12.232 7.525 2.540
361 HB2 LEU 558 2HB LEU 558 -10.664 7.020 0.675
362 HB3 LEU 558 1HB LEU 558 -10.142 6.424 2.240
363 HG LEU 558 HG LEU 558 -11.156 4.176 1.526
364 HD11 LEU 558 1HD1 LEU 558 -11.319 5.749 -0.993
365 HD12 LEU 558 2HD1 LEU 558 -12.420 4.532 -0.343
366 HD13 LEU 558 3HD1 LEU 558 -10.893 4.041 -1.082
367 HD21 LEU 558 3HD2 LEU 558 -8.884 4.738 -0.266
368 HD22 LEU 558 1HD2 LEU 558 -9.075 3.501 0.978
369 HD23 LEU 558 2HD2 LEU 558 -8.646 5.150 1.432
370 H ARG 559 H ARG 559 -14.741 5.985 2.034
371 HA ARG 559 HA ARG 559 -15.263 5.727 -0.711
372 HB2 ARG 559 2HB ARG 559 -17.132 6.350 1.586
373 HB3 ARG 559 1HB ARG 559 -17.655 5.891 -0.026
374 HG2 ARG 559 2HG ARG 559 -17.764 3.870 1.006
375 HG3 ARG 559 1HG ARG 559 -16.099 3.816 0.425
376 HD2 ARG 559 2HD ARG 559 -15.227 4.300 2.541
377 HD3 ARG 559 1HD ARG 559 -16.777 4.878 3.146
378 HE ARG 559 HE ARG 559 -15.864 2.147 3.024
379 HH11 ARG 559 1HH1 ARG 559 -18.643 4.249 3.245
380 HH12 ARG 559 2HH1 ARG 559 -19.656 3.040 3.960
381 HH21 ARG 559 1HH2 ARG 559 -17.197 0.557 3.961
382 HH22 ARG 559 2HH2 ARG 559 -18.836 0.944 4.365
383 H GLN 560 H GLN 560 -17.539 7.297 -1.178
384 HA GLN 560 HA GLN 560 -18.117 9.279 -2.128
385 HB2 GLN 560 2HB GLN 560 -16.573 10.344 0.242
386 HB3 GLN 560 1HB GLN 560 -17.616 11.315 -0.790
387 HG2 GLN 560 2HG GLN 560 -19.476 10.602 0.214
388 HG3 GLN 560 1HG GLN 560 -18.914 8.933 0.285
389 HE21 GLN 560 1HE2 GLN 560 -17.586 8.292 2.032
390 HE22 GLN 560 2HE2 GLN 560 -17.601 9.162 3.525
Start of MODEL 11
1 H1 ALA 507 1HT ALA 507 -19.562 5.068 -3.774
2 H2 ALA 507 2HT ALA 507 -18.921 6.652 -3.620
3 H3 ALA 507 3HT ALA 507 -18.883 5.575 -2.285
4 HA ALA 507 HA ALA 507 -17.314 5.541 -4.752
5 HB1 ALA 507 2HB ALA 507 -16.869 6.095 -1.942
6 HB2 ALA 507 3HB ALA 507 -15.856 6.456 -3.339
7 HB3 ALA 507 1HB ALA 507 -15.758 4.875 -2.565
8 H GLN 508 H GLN 508 -16.103 3.680 -5.249
9 HA GLN 508 HA GLN 508 -17.044 1.203 -3.978
10 HB2 GLN 508 2HB GLN 508 -17.970 1.808 -6.357
11 HB3 GLN 508 1HB GLN 508 -16.392 1.255 -6.900
12 HG2 GLN 508 2HG GLN 508 -17.781 -0.545 -5.041
13 HG3 GLN 508 1HG GLN 508 -18.552 -0.332 -6.611
14 HE21 GLN 508 1HE2 GLN 508 -17.905 -2.739 -6.425
15 HE22 GLN 508 2HE2 GLN 508 -16.397 -3.153 -7.158
16 HA PRO 509 HA PRO 509 -12.425 1.273 -4.030
17 HB2 PRO 509 2HB PRO 509 -12.032 0.711 -1.437
18 HB3 PRO 509 1HB PRO 509 -12.407 2.351 -1.984
19 HG2 PRO 509 2HG PRO 509 -14.212 0.306 -0.754
20 HG3 PRO 509 1HG PRO 509 -14.116 2.048 -0.439
21 HD2 PRO 509 2HD PRO 509 -15.991 0.883 -2.069
22 HD3 PRO 509 1HD PRO 509 -15.447 2.564 -2.227
23 H LYS 510 H LYS 510 -14.824 -0.998 -2.988
24 HA LYS 510 HA LYS 510 -14.940 -3.230 -3.469
25 HB2 LYS 510 2HB LYS 510 -13.339 -4.361 -4.623
26 HB3 LYS 510 1HB LYS 510 -12.782 -2.729 -4.941
27 HG2 LYS 510 2HG LYS 510 -10.802 -3.359 -4.177
28 HG3 LYS 510 1HG LYS 510 -11.517 -3.438 -2.569
29 HD2 LYS 510 2HD LYS 510 -11.310 -5.688 -4.567
30 HD3 LYS 510 1HD LYS 510 -10.397 -5.524 -3.066
31 HE2 LYS 510 2HE LYS 510 -12.350 -5.829 -1.749
32 HE3 LYS 510 1HE LYS 510 -13.402 -5.680 -3.156
33 HZ1 LYS 510 3HZ LYS 510 -12.143 -7.735 -3.991
34 HZ2 LYS 510 1HZ LYS 510 -13.306 -7.949 -2.780
35 HZ3 LYS 510 2HZ LYS 510 -11.662 -7.935 -2.382
36 H CYS 511 H CYS 511 -12.692 -1.853 -1.282
37 HA CYS 511 HA CYS 511 -12.010 -2.383 0.826
38 HB2 CYS 511 2HB CYS 511 -14.812 -2.668 0.660
39 HB3 CYS 511 1HB CYS 511 -14.235 -4.003 1.652
40 H ASN 512 H ASN 512 -10.306 -3.711 0.825
41 HA ASN 512 HA ASN 512 -10.828 -6.578 1.104
42 HB2 ASN 512 2HB ASN 512 -8.932 -7.124 -0.379
43 HB3 ASN 512 1HB ASN 512 -10.207 -6.271 -1.244
44 HD21 ASN 512 1HD2 ASN 512 -9.892 -4.053 -1.747
45 HD22 ASN 512 2HD2 ASN 512 -8.299 -3.401 -1.890
46 HA PRO 513 HA PRO 513 -8.030 -4.753 4.384
47 HB2 PRO 513 2HB PRO 513 -9.532 -6.710 6.013
48 HB3 PRO 513 1HB PRO 513 -9.186 -5.005 6.332
49 HG2 PRO 513 2HG PRO 513 -11.638 -5.820 5.635
50 HG3 PRO 513 1HG PRO 513 -10.984 -4.269 5.079
51 HD2 PRO 513 2HD PRO 513 -11.250 -6.857 3.597
52 HD3 PRO 513 1HD PRO 513 -11.514 -5.195 3.025
53 H ASN 514 H ASN 514 -8.682 -7.871 3.097
54 HA ASN 514 HA ASN 514 -6.842 -9.380 4.639
55 HB2 ASN 514 2HB ASN 514 -8.622 -10.485 3.431
56 HB3 ASN 514 1HB ASN 514 -8.024 -9.862 1.898
57 HD21 ASN 514 1HD2 ASN 514 -7.609 -12.210 4.397
58 HD22 ASN 514 2HD2 ASN 514 -6.431 -13.177 3.585
59 H LEU 515 H LEU 515 -6.582 -7.727 1.504
60 HA LEU 515 HA LEU 515 -3.951 -8.600 0.938
61 HB2 LEU 515 2HB LEU 515 -5.266 -6.061 -0.022
62 HB3 LEU 515 1HB LEU 515 -3.924 -6.901 -0.774
63 HG LEU 515 HG LEU 515 -6.755 -7.928 -0.567
64 HD11 LEU 515 1HD1 LEU 515 -5.489 -7.492 -3.182
65 HD12 LEU 515 2HD1 LEU 515 -5.850 -6.030 -2.264
66 HD13 LEU 515 3HD1 LEU 515 -7.138 -7.173 -2.647
67 HD21 LEU 515 3HD2 LEU 515 -5.018 -9.293 -2.430
68 HD22 LEU 515 1HD2 LEU 515 -6.032 -9.951 -1.146
69 HD23 LEU 515 2HD2 LEU 515 -4.399 -9.396 -0.782
70 H HIS 516 H HIS 516 -3.025 -8.279 3.091
71 HA HIS 516 HA HIS 516 -2.499 -5.568 3.945
72 HB2 HIS 516 2HB HIS 516 -2.495 -8.147 5.159
73 HB3 HIS 516 1HB HIS 516 -0.902 -7.431 5.385
74 HD1 HIS 516 1HD HIS 516 -0.686 -5.728 7.198
75 HD2 HIS 516 2HD HIS 516 -4.649 -6.476 6.198
76 HE1 HIS 516 1HE HIS 516 -2.056 -4.479 8.898
77 HE2 HIS 516 2HE HIS 516 -4.450 -4.873 8.217
78 H TYR 517 H TYR 517 -1.104 -7.607 1.697
79 HA TYR 517 HA TYR 517 1.648 -6.957 2.191
80 HB2 TYR 517 2HB TYR 517 0.373 -8.149 -0.277
81 HB3 TYR 517 1HB TYR 517 2.093 -8.130 0.099
82 HD1 TYR 517 1HD TYR 517 2.157 -8.912 2.910
83 HD2 TYR 517 2HD TYR 517 -0.281 -10.374 -0.257
84 HE1 TYR 517 1HE TYR 517 1.924 -11.058 4.087
85 HE2 TYR 517 2HE TYR 517 -0.521 -12.523 0.912
86 HH TYR 517 HH TYR 517 1.423 -13.457 3.464
87 H TRP 518 H TRP 518 -0.492 -6.199 -0.576
88 HA TRP 518 HA TRP 518 1.276 -4.041 -1.355
89 HB2 TRP 518 2HB TRP 518 -1.095 -5.384 -2.584
90 HB3 TRP 518 1HB TRP 518 -0.591 -3.804 -3.177
91 HD1 TRP 518 HD TRP 518 2.046 -3.692 -4.088
92 HE1 TRP 518 1HE TRP 518 3.378 -5.486 -5.365
93 HE3 TRP 518 3HE TRP 518 -0.779 -7.788 -2.916
94 HZ2 TRP 518 2HZ TRP 518 3.248 -8.270 -5.816
95 HZ3 TRP 518 3HZ TRP 518 -0.107 -9.980 -3.810
96 HH2 TRP 518 HH TRP 518 1.864 -10.214 -5.231
97 H THR 519 H THR 519 -1.229 -4.236 0.812
98 HA THR 519 HA THR 519 -2.547 -2.711 1.848
99 HB THR 519 HB THR 519 -1.670 -0.563 2.214
100 HG1 THR 519 1HG THR 519 -0.144 -0.629 -0.157
101 HG21 THR 519 3HG2 THR 519 0.790 -0.750 2.225
102 HG22 THR 519 1HG2 THR 519 0.651 -2.260 1.325
103 HG23 THR 519 2HG2 THR 519 -0.026 -2.135 2.950
104 H THR 520 H THR 520 -1.779 -0.758 -1.059
105 HA THR 520 HA THR 520 -3.991 -1.322 -2.594
106 HB THR 520 HB THR 520 -4.585 0.532 -0.342
107 HG1 THR 520 1HG THR 520 -5.534 -1.632 -0.832
108 HG21 THR 520 3HG2 THR 520 -5.346 1.112 -3.153
109 HG22 THR 520 1HG2 THR 520 -4.950 2.215 -1.836
110 HG23 THR 520 2HG2 THR 520 -6.517 1.404 -1.865
111 H GLN 521 H GLN 521 -2.633 1.700 -1.289
112 HA GLN 521 HA GLN 521 -2.268 2.815 -3.900
113 HB2 GLN 521 2HB GLN 521 -1.301 3.683 -1.174
114 HB3 GLN 521 1HB GLN 521 -0.999 4.595 -2.646
115 HG2 GLN 521 2HG GLN 521 -3.737 4.144 -2.661
116 HG3 GLN 521 1HG GLN 521 -3.352 4.501 -0.978
117 HE21 GLN 521 1HE2 GLN 521 -1.730 6.400 -0.795
118 HE22 GLN 521 2HE2 GLN 521 -2.133 7.797 -1.729
119 H ASP 522 H ASP 522 -0.614 0.578 -2.032
120 HA ASP 522 HA ASP 522 1.932 1.186 -3.246
121 HB2 ASP 522 2HB ASP 522 1.341 -1.059 -1.329
122 HB3 ASP 522 1HB ASP 522 2.920 -0.425 -1.769
123 H GLU 523 H GLU 523 -0.790 -0.618 -3.899
124 HA GLU 523 HA GLU 523 -0.028 -3.028 -4.901
125 HB2 GLU 523 2HB GLU 523 -1.961 -2.975 -6.266
126 HB3 GLU 523 1HB GLU 523 -2.343 -1.990 -4.861
127 HG2 GLU 523 2HG GLU 523 -1.948 0.031 -6.131
128 HG3 GLU 523 1HG GLU 523 -1.470 -0.921 -7.536
129 H GLY 524 H GLY 524 0.709 0.108 -6.231
130 HA2 GLY 524 2HA GLY 524 2.881 -0.348 -7.649
131 HA3 GLY 524 1HA GLY 524 1.692 -1.076 -8.715
132 H ALA 525 H ALA 525 1.401 1.853 -6.736
133 HA ALA 525 HA ALA 525 0.721 3.306 -9.184
134 HB1 ALA 525 1HB ALA 525 -0.751 4.532 -7.997
135 HB2 ALA 525 2HB ALA 525 0.304 4.627 -6.588
136 HB3 ALA 525 3HB ALA 525 -0.653 3.174 -6.876
137 H ALA 526 H ALA 526 2.461 3.977 -6.139
138 HA ALA 526 HA ALA 526 4.410 5.513 -7.706
139 HB1 ALA 526 1HB ALA 526 3.854 6.536 -5.001
140 HB2 ALA 526 2HB ALA 526 2.578 6.785 -6.191
141 HB3 ALA 526 3HB ALA 526 4.199 7.410 -6.493
142 H ILE 527 H ILE 527 4.510 2.864 -6.814
143 HA ILE 527 HA ILE 527 6.308 2.877 -4.539
144 HB ILE 527 HB ILE 527 6.103 0.403 -4.678
145 HG12 ILE 527 2HG1 ILE 527 4.229 -0.465 -6.119
146 HG13 ILE 527 1HG1 ILE 527 4.179 1.099 -6.924
147 HG21 ILE 527 1HG2 ILE 527 3.466 0.592 -4.310
148 HG22 ILE 527 2HG2 ILE 527 3.870 2.309 -4.294
149 HG23 ILE 527 3HG2 ILE 527 4.633 1.208 -3.140
150 HD11 ILE 527 3HD1 ILE 527 6.714 -0.480 -6.824
151 HD12 ILE 527 1HD1 ILE 527 6.207 0.754 -7.978
152 HD13 ILE 527 2HD1 ILE 527 5.464 -0.844 -8.014
153 H GLY 528 H GLY 528 6.678 3.303 -7.763
154 HA2 GLY 528 2HA GLY 528 8.683 1.529 -8.541
155 HA3 GLY 528 1HA GLY 528 8.444 3.134 -9.204
156 H LEU 529 H LEU 529 8.953 3.833 -6.068
157 HA LEU 529 HA LEU 529 11.811 4.227 -6.560
158 HB2 LEU 529 2HB LEU 529 11.686 5.815 -4.663
159 HB3 LEU 529 1HB LEU 529 10.628 6.228 -5.999
160 HG LEU 529 HG LEU 529 9.067 4.666 -4.259
161 HD11 LEU 529 1HD1 LEU 529 9.252 6.143 -2.196
162 HD12 LEU 529 2HD1 LEU 529 10.843 6.597 -2.803
163 HD13 LEU 529 3HD1 LEU 529 10.495 4.913 -2.417
164 HD21 LEU 529 3HD2 LEU 529 8.889 7.618 -4.130
165 HD22 LEU 529 1HD2 LEU 529 7.632 6.415 -4.421
166 HD23 LEU 529 2HD2 LEU 529 8.733 6.873 -5.721
167 H ALA 530 H ALA 530 9.598 2.739 -4.276
168 HA ALA 530 HA ALA 530 11.863 1.739 -2.698
169 HB1 ALA 530 1HB ALA 530 10.510 1.666 -0.890
170 HB2 ALA 530 2HB ALA 530 9.088 1.239 -1.841
171 HB3 ALA 530 3HB ALA 530 9.655 2.909 -1.803
172 H TRP 531 H TRP 531 10.149 0.711 -5.283
173 HA TRP 531 HA TRP 531 9.354 -1.888 -4.532
174 HB2 TRP 531 2HB TRP 531 8.661 -0.522 -6.570
175 HB3 TRP 531 1HB TRP 531 10.151 -1.088 -7.315
176 HD1 TRP 531 HD TRP 531 6.885 -2.529 -5.819
177 HE1 TRP 531 1HE TRP 531 6.382 -4.760 -6.999
178 HE3 TRP 531 3HE TRP 531 11.090 -2.886 -8.703
179 HZ2 TRP 531 2HZ TRP 531 7.608 -6.449 -8.902
180 HZ3 TRP 531 3HZ TRP 531 11.348 -4.840 -10.176
181 HH2 TRP 531 HH TRP 531 9.642 -6.584 -10.271
182 H ILE 532 H ILE 532 12.106 -1.273 -3.712
183 HA ILE 532 HA ILE 532 13.280 -3.758 -4.505
184 HB ILE 532 HB ILE 532 15.426 -2.785 -5.273
185 HG12 ILE 532 2HG1 ILE 532 14.457 -0.217 -6.120
186 HG13 ILE 532 1HG1 ILE 532 14.247 -0.368 -4.378
187 HG21 ILE 532 1HG2 ILE 532 13.111 -1.908 -6.988
188 HG22 ILE 532 2HG2 ILE 532 13.681 -3.572 -6.853
189 HG23 ILE 532 3HG2 ILE 532 14.738 -2.330 -7.524
190 HD11 ILE 532 3HD1 ILE 532 16.639 -1.010 -4.211
191 HD12 ILE 532 1HD1 ILE 532 16.369 0.627 -4.811
192 HD13 ILE 532 2HD1 ILE 532 16.802 -0.664 -5.932
193 HA PRO 533 HA PRO 533 13.881 -2.257 -0.090
194 HB2 PRO 533 2HB PRO 533 13.982 -4.955 0.704
195 HB3 PRO 533 1HB PRO 533 12.610 -3.860 0.865
196 HG2 PRO 533 2HG PRO 533 13.163 -5.909 -1.220
197 HG3 PRO 533 1HG PRO 533 11.613 -5.394 -0.529
198 HD2 PRO 533 2HD PRO 533 12.364 -4.623 -2.978
199 HD3 PRO 533 1HD PRO 533 11.486 -3.517 -1.898
200 H TYR 534 H TYR 534 15.987 -1.555 -0.792
201 HA TYR 534 HA TYR 534 18.092 -3.582 -0.797
202 HB2 TYR 534 2HB TYR 534 17.911 -1.701 -2.537
203 HB3 TYR 534 1HB TYR 534 18.478 -0.631 -1.260
204 HD1 TYR 534 2HD TYR 534 19.397 -3.836 -2.946
205 HD2 TYR 534 1HD TYR 534 20.755 -0.287 -1.029
206 HE1 TYR 534 2HE TYR 534 21.719 -4.444 -3.479
207 HE2 TYR 534 1HE TYR 534 23.081 -0.885 -1.559
208 HH TYR 534 HH TYR 534 23.959 -3.985 -2.746
209 H PHE 535 H PHE 535 16.851 -0.935 1.109
210 HA PHE 535 HA PHE 535 19.117 -0.637 2.801
211 HB2 PHE 535 2HB PHE 535 17.031 0.928 2.378
212 HB3 PHE 535 1HB PHE 535 16.370 0.048 3.752
213 HD1 PHE 535 1HD PHE 535 19.152 2.207 2.646
214 HD2 PHE 535 2HD PHE 535 17.079 0.506 5.951
215 HE1 PHE 535 1HE PHE 535 20.389 3.684 4.177
216 HE2 PHE 535 2HE PHE 535 18.312 1.980 7.488
217 HZ PHE 535 HZ PHE 535 19.969 3.572 6.602
218 H GLY 536 H GLY 536 16.226 -2.640 2.929
219 HA2 GLY 536 2HA GLY 536 17.098 -4.746 4.313
220 HA3 GLY 536 1HA GLY 536 16.879 -3.578 5.608
221 HA PRO 537 HA PRO 537 12.557 -4.336 5.986
222 HB2 PRO 537 2HB PRO 537 11.329 -1.946 5.330
223 HB3 PRO 537 1HB PRO 537 12.028 -2.319 6.908
224 HG2 PRO 537 2HG PRO 537 13.195 -0.774 4.631
225 HG3 PRO 537 1HG PRO 537 13.283 -0.446 6.372
226 HD2 PRO 537 2HD PRO 537 15.349 -1.522 5.057
227 HD3 PRO 537 1HD PRO 537 14.946 -2.028 6.711
228 H ALA 538 H ALA 538 10.343 -3.439 4.652
229 HA ALA 538 HA ALA 538 10.565 -4.876 2.178
230 HB1 ALA 538 1HB ALA 538 8.533 -5.214 3.295
231 HB2 ALA 538 2HB ALA 538 8.125 -4.161 1.939
232 HB3 ALA 538 3HB ALA 538 8.292 -3.487 3.561
233 H ALA 539 H ALA 539 9.925 -1.513 3.098
234 HA ALA 539 HA ALA 539 10.294 0.459 1.976
235 HB1 ALA 539 1HB ALA 539 11.524 -1.128 -0.249
236 HB2 ALA 539 2HB ALA 539 12.397 -0.739 1.238
237 HB3 ALA 539 3HB ALA 539 11.818 0.556 0.188
238 H GLU 540 H GLU 540 9.489 -2.127 -0.259
239 HA GLU 540 HA GLU 540 8.275 -0.982 -2.324
240 HB2 GLU 540 2HB GLU 540 7.955 -3.468 -0.848
241 HB3 GLU 540 1HB GLU 540 6.511 -3.026 -1.752
242 HG2 GLU 540 2HG GLU 540 7.894 -2.836 -3.785
243 HG3 GLU 540 1HG GLU 540 9.293 -3.376 -2.853
244 H GLY 541 H GLY 541 6.976 -1.001 0.931
245 HA2 GLY 541 2HA GLY 541 4.702 0.600 -0.065
246 HA3 GLY 541 1HA GLY 541 4.494 -0.615 1.185
247 H ILE 542 H ILE 542 6.879 -0.047 2.628
248 HA ILE 542 HA ILE 542 5.938 2.178 4.172
249 HB ILE 542 HB ILE 542 7.955 1.698 5.611
250 HG12 ILE 542 2HG1 ILE 542 8.711 -0.807 5.078
251 HG13 ILE 542 1HG1 ILE 542 8.373 -0.291 3.432
252 HG21 ILE 542 1HG2 ILE 542 6.396 -0.815 5.303
253 HG22 ILE 542 2HG2 ILE 542 5.537 0.675 5.688
254 HG23 ILE 542 3HG2 ILE 542 6.808 0.087 6.760
255 HD11 ILE 542 3HD1 ILE 542 10.660 0.082 3.786
256 HD12 ILE 542 1HD1 ILE 542 10.374 0.844 5.351
257 HD13 ILE 542 2HD1 ILE 542 9.894 1.669 3.868
258 H TYR 543 H TYR 543 8.422 1.724 1.768
259 HA TYR 543 HA TYR 543 9.395 4.449 2.345
260 HB2 TYR 543 2HB TYR 543 10.917 2.182 2.237
261 HB3 TYR 543 1HB TYR 543 11.065 2.779 0.588
262 HD1 TYR 543 1HD TYR 543 11.572 5.398 0.447
263 HD2 TYR 543 2HD TYR 543 12.450 2.914 3.788
264 HE1 TYR 543 1HE TYR 543 13.276 7.007 1.188
265 HE2 TYR 543 2HE TYR 543 14.157 4.517 4.539
266 HH TYR 543 HH TYR 543 14.346 7.537 3.686
267 H ALA 544 H ALA 544 7.527 2.656 0.283
268 HA ALA 544 HA ALA 544 8.106 4.290 -2.084
269 HB1 ALA 544 1HB ALA 544 6.041 2.479 -2.644
270 HB2 ALA 544 2HB ALA 544 7.195 1.602 -1.642
271 HB3 ALA 544 3HB ALA 544 7.730 2.368 -3.139
272 H GLU 545 H GLU 545 5.738 3.647 0.393
273 HA GLU 545 HA GLU 545 3.985 5.717 -0.775
274 HB2 GLU 545 2HB GLU 545 2.864 3.592 -0.794
275 HB3 GLU 545 1HB GLU 545 3.307 3.286 0.881
276 HG2 GLU 545 2HG GLU 545 0.982 3.921 0.724
277 HG3 GLU 545 1HG GLU 545 1.903 5.154 1.593
278 H GLY 546 H GLY 546 5.503 4.477 2.118
279 HA2 GLY 546 2HA GLY 546 5.558 5.254 4.295
280 HA3 GLY 546 1HA GLY 546 6.105 6.690 3.452
281 H LEU 547 H LEU 547 2.808 5.272 3.591
282 HA LEU 547 HA LEU 547 1.821 7.008 5.524
283 HB2 LEU 547 2HB LEU 547 1.606 8.977 4.543
284 HB3 LEU 547 1HB LEU 547 2.408 8.331 3.128
285 HG LEU 547 HG LEU 547 -0.490 7.784 3.242
286 HD11 LEU 547 1HD1 LEU 547 0.251 10.565 2.504
287 HD12 LEU 547 2HD1 LEU 547 -0.016 10.176 4.204
288 HD13 LEU 547 3HD1 LEU 547 -1.300 9.906 3.025
289 HD21 LEU 547 3HD2 LEU 547 0.229 9.112 0.901
290 HD22 LEU 547 1HD2 LEU 547 0.062 7.372 1.123
291 HD23 LEU 547 2HD2 LEU 547 1.638 8.136 1.318
292 H MET 548 H MET 548 0.660 5.952 2.320
293 HA MET 548 HA MET 548 -1.793 4.997 3.552
294 HB2 MET 548 2HB MET 548 -0.946 5.719 0.839
295 HB3 MET 548 1HB MET 548 -1.968 4.288 0.907
296 HG2 MET 548 2HG MET 548 -3.637 5.773 0.804
297 HG3 MET 548 1HG MET 548 -3.338 5.950 2.532
298 HE1 MET 548 3HE MET 548 -3.622 8.976 3.092
299 HE2 MET 548 1HE MET 548 -4.715 7.846 2.292
300 HE3 MET 548 2HE MET 548 -4.331 9.391 1.532
301 H HIS 549 H HIS 549 1.075 3.721 3.598
302 HA HIS 549 HA HIS 549 0.809 1.225 2.334
303 HB2 HIS 549 2HB HIS 549 3.000 1.998 2.982
304 HB3 HIS 549 1HB HIS 549 2.516 2.106 4.670
305 HD1 HIS 549 1HD HIS 549 2.742 -0.637 2.030
306 HD2 HIS 549 2HD HIS 549 3.360 -0.024 6.093
307 HE1 HIS 549 1HE HIS 549 3.618 -2.822 2.913
308 HE2 HIS 549 2HE HIS 549 3.932 -2.445 5.385
309 H ASN 550 H ASN 550 -0.803 2.503 4.986
310 HA ASN 550 HA ASN 550 -1.223 -0.089 6.241
311 HB2 ASN 550 2HB ASN 550 -1.787 2.749 6.998
312 HB3 ASN 550 1HB ASN 550 -2.733 1.468 7.755
313 HD21 ASN 550 1HD2 ASN 550 0.607 2.416 7.068
314 HD22 ASN 550 2HD2 ASN 550 1.272 1.780 8.530
315 H GLN 551 H GLN 551 -2.708 1.950 3.958
316 HA GLN 551 HA GLN 551 -5.420 1.202 4.392
317 HB2 GLN 551 2HB GLN 551 -4.498 1.963 1.664
318 HB3 GLN 551 1HB GLN 551 -5.935 2.468 2.544
319 HG2 GLN 551 2HG GLN 551 -3.126 3.415 3.051
320 HG3 GLN 551 1HG GLN 551 -4.392 4.308 2.213
321 HE21 GLN 551 1HE2 GLN 551 -5.119 5.881 3.443
322 HE22 GLN 551 2HE2 GLN 551 -5.435 5.788 5.139
323 H ASP 552 H ASP 552 -4.660 -1.114 4.700
324 HA ASP 552 HA ASP 552 -4.330 -2.596 2.221
325 HB2 ASP 552 2HB ASP 552 -4.463 -3.650 5.046
326 HB3 ASP 552 1HB ASP 552 -3.909 -4.518 3.619
327 H GLY 553 H GLY 553 -6.895 -1.221 3.073
328 HA2 GLY 553 2HA GLY 553 -8.973 -2.085 2.062
329 HA3 GLY 553 1HA GLY 553 -8.633 -3.600 2.888
330 H LEU 554 H LEU 554 -7.733 -2.403 5.315
331 HA LEU 554 HA LEU 554 -10.093 -2.263 6.793
332 HB2 LEU 554 2HB LEU 554 -7.609 -0.807 7.626
333 HB3 LEU 554 1HB LEU 554 -8.756 -1.688 8.625
334 HG LEU 554 HG LEU 554 -7.724 -3.659 6.981
335 HD11 LEU 554 1HD1 LEU 554 -6.016 -1.809 6.372
336 HD12 LEU 554 2HD1 LEU 554 -5.435 -3.428 6.763
337 HD13 LEU 554 3HD1 LEU 554 -5.344 -2.145 7.969
338 HD21 LEU 554 3HD2 LEU 554 -6.790 -2.849 9.733
339 HD22 LEU 554 1HD2 LEU 554 -6.598 -4.438 8.993
340 HD23 LEU 554 2HD2 LEU 554 -8.210 -3.833 9.375
341 H ILE 555 H ILE 555 -7.867 0.355 5.979
342 HA ILE 555 HA ILE 555 -9.662 2.431 6.731
343 HB ILE 555 HB ILE 555 -7.140 2.494 5.095
344 HG12 ILE 555 2HG1 ILE 555 -6.330 1.761 7.104
345 HG13 ILE 555 1HG1 ILE 555 -6.333 3.492 7.416
346 HG21 ILE 555 1HG2 ILE 555 -7.675 4.902 6.569
347 HG22 ILE 555 2HG2 ILE 555 -9.024 4.518 5.498
348 HG23 ILE 555 3HG2 ILE 555 -7.396 4.685 4.841
349 HD11 ILE 555 3HD1 ILE 555 -8.698 3.070 8.374
350 HD12 ILE 555 1HD1 ILE 555 -7.283 2.621 9.329
351 HD13 ILE 555 2HD1 ILE 555 -8.180 1.385 8.445
352 H CYS 556 H CYS 556 -11.323 1.236 5.240
353 HA CYS 556 HA CYS 556 -11.184 1.635 2.442
354 HB2 CYS 556 2HB CYS 556 -12.906 0.328 4.238
355 HB3 CYS 556 1HB CYS 556 -13.905 1.510 3.398
356 H GLY 557 H GLY 557 -11.655 3.852 4.935
357 HA2 GLY 557 2HA GLY 557 -13.611 5.573 3.941
358 HA3 GLY 557 1HA GLY 557 -12.258 6.063 4.948
359 H LEU 558 H LEU 558 -10.486 4.922 2.678
360 HA LEU 558 HA LEU 558 -9.710 7.286 1.522
361 HB2 LEU 558 2HB LEU 558 -8.756 5.804 -0.323
362 HB3 LEU 558 1HB LEU 558 -8.221 5.509 1.321
363 HG LEU 558 HG LEU 558 -10.366 3.803 1.090
364 HD11 LEU 558 1HD1 LEU 558 -10.509 2.851 -0.971
365 HD12 LEU 558 2HD1 LEU 558 -8.856 3.280 -1.410
366 HD13 LEU 558 3HD1 LEU 558 -10.125 4.506 -1.446
367 HD21 LEU 558 3HD2 LEU 558 -7.728 2.752 0.271
368 HD22 LEU 558 1HD2 LEU 558 -8.826 2.207 1.539
369 HD23 LEU 558 2HD2 LEU 558 -7.797 3.614 1.807
370 H ARG 559 H ARG 559 -11.734 4.815 -0.050
371 HA ARG 559 HA ARG 559 -13.220 4.927 -1.775
372 HB2 ARG 559 2HB ARG 559 -13.543 7.624 -0.497
373 HB3 ARG 559 1HB ARG 559 -14.435 7.214 -1.953
374 HG2 ARG 559 2HG ARG 559 -15.910 6.704 -0.234
375 HG3 ARG 559 1HG ARG 559 -15.211 5.139 -0.661
376 HD2 ARG 559 2HD ARG 559 -13.541 5.516 1.183
377 HD3 ARG 559 1HD ARG 559 -14.516 6.896 1.679
378 HE ARG 559 HE ARG 559 -15.603 4.158 1.563
379 HH11 ARG 559 1HH1 ARG 559 -15.142 7.186 3.257
380 HH12 ARG 559 2HH1 ARG 559 -16.156 6.733 4.583
381 HH21 ARG 559 1HH2 ARG 559 -16.930 3.575 3.311
382 HH22 ARG 559 2HH2 ARG 559 -17.169 4.689 4.616
383 H GLN 560 H GLN 560 -13.913 6.843 -3.597
384 HA GLN 560 HA GLN 560 -11.919 6.732 -5.479
385 HB2 GLN 560 2HB GLN 560 -13.160 8.822 -6.462
386 HB3 GLN 560 1HB GLN 560 -13.961 7.260 -6.404
387 HG2 GLN 560 2HG GLN 560 -15.326 9.253 -5.689
388 HG3 GLN 560 1HG GLN 560 -15.294 7.888 -4.577
389 HE21 GLN 560 1HE2 GLN 560 -15.486 8.739 -2.622
390 HE22 GLN 560 2HE2 GLN 560 -14.512 10.012 -1.976
Start of MODEL 12
1 H1 ALA 507 1HT ALA 507 -17.546 5.912 -8.015
2 H2 ALA 507 2HT ALA 507 -18.470 6.708 -6.807
3 H3 ALA 507 3HT ALA 507 -18.585 5.006 -6.998
4 HA ALA 507 HA ALA 507 -16.036 6.297 -6.384
5 HB1 ALA 507 2HB ALA 507 -16.853 7.001 -4.436
6 HB2 ALA 507 3HB ALA 507 -16.989 5.298 -3.992
7 HB3 ALA 507 1HB ALA 507 -18.377 6.146 -4.677
8 H GLN 508 H GLN 508 -14.463 4.819 -6.113
9 HA GLN 508 HA GLN 508 -15.262 2.003 -5.869
10 HB2 GLN 508 2HB GLN 508 -13.506 3.288 -7.891
11 HB3 GLN 508 1HB GLN 508 -12.985 1.729 -7.266
12 HG2 GLN 508 2HG GLN 508 -15.279 0.864 -7.858
13 HG3 GLN 508 1HG GLN 508 -15.529 2.381 -8.720
14 HE21 GLN 508 1HE2 GLN 508 -13.867 -0.652 -8.675
15 HE22 GLN 508 2HE2 GLN 508 -13.220 -0.561 -10.274
16 HA PRO 509 HA PRO 509 -12.129 2.993 -2.651
17 HB2 PRO 509 2HB PRO 509 -13.549 2.353 -0.488
18 HB3 PRO 509 1HB PRO 509 -13.803 3.891 -1.323
19 HG2 PRO 509 2HG PRO 509 -15.429 1.386 -1.423
20 HG3 PRO 509 1HG PRO 509 -15.970 3.074 -1.394
21 HD2 PRO 509 2HD PRO 509 -15.759 1.489 -3.671
22 HD3 PRO 509 1HD PRO 509 -15.829 3.261 -3.658
23 H LYS 510 H LYS 510 -11.581 0.898 -4.078
24 HA LYS 510 HA LYS 510 -11.284 -1.429 -4.178
25 HB2 LYS 510 2HB LYS 510 -9.511 -1.879 -2.265
26 HB3 LYS 510 1HB LYS 510 -9.138 -0.882 -3.662
27 HG2 LYS 510 2HG LYS 510 -8.771 0.895 -2.384
28 HG3 LYS 510 1HG LYS 510 -10.323 0.702 -1.572
29 HD2 LYS 510 2HD LYS 510 -8.755 -1.334 -0.529
30 HD3 LYS 510 1HD LYS 510 -7.661 0.046 -0.646
31 HE2 LYS 510 2HE LYS 510 -8.549 0.674 1.314
32 HE3 LYS 510 1HE LYS 510 -9.923 1.204 0.343
33 HZ1 LYS 510 3HZ LYS 510 -11.209 -0.370 1.210
34 HZ2 LYS 510 1HZ LYS 510 -10.007 -0.601 2.378
35 HZ3 LYS 510 2HZ LYS 510 -10.048 -1.581 1.000
36 H CYS 511 H CYS 511 -10.899 -1.294 -0.742
37 HA CYS 511 HA CYS 511 -11.979 -2.276 1.003
38 HB2 CYS 511 2HB CYS 511 -14.046 -1.793 -0.859
39 HB3 CYS 511 1HB CYS 511 -14.285 -3.432 -0.259
40 H ASN 512 H ASN 512 -10.018 -3.639 0.306
41 HA ASN 512 HA ASN 512 -10.913 -6.422 0.261
42 HB2 ASN 512 2HB ASN 512 -9.348 -5.093 -1.824
43 HB3 ASN 512 1HB ASN 512 -8.551 -6.525 -1.178
44 HD21 ASN 512 1HD2 ASN 512 -10.293 -5.609 -3.653
45 HD22 ASN 512 2HD2 ASN 512 -11.257 -7.014 -3.940
46 HA PRO 513 HA PRO 513 -7.827 -5.630 3.585
47 HB2 PRO 513 2HB PRO 513 -9.127 -6.944 5.539
48 HB3 PRO 513 1HB PRO 513 -9.539 -5.286 5.083
49 HG2 PRO 513 2HG PRO 513 -10.891 -7.851 4.345
50 HG3 PRO 513 1HG PRO 513 -11.609 -6.294 4.795
51 HD2 PRO 513 2HD PRO 513 -11.351 -7.175 2.209
52 HD3 PRO 513 1HD PRO 513 -11.427 -5.461 2.669
53 H ASN 514 H ASN 514 -8.151 -7.959 1.552
54 HA ASN 514 HA ASN 514 -7.100 -10.153 3.168
55 HB2 ASN 514 2HB ASN 514 -8.828 -10.842 1.673
56 HB3 ASN 514 1HB ASN 514 -8.095 -9.986 0.321
57 HD21 ASN 514 1HD2 ASN 514 -7.086 -11.228 -1.069
58 HD22 ASN 514 2HD2 ASN 514 -6.342 -12.751 -0.732
59 H LEU 515 H LEU 515 -6.247 -8.194 0.328
60 HA LEU 515 HA LEU 515 -3.657 -9.352 0.035
61 HB2 LEU 515 2HB LEU 515 -3.258 -7.343 -1.447
62 HB3 LEU 515 1HB LEU 515 -4.575 -8.403 -1.910
63 HG LEU 515 HG LEU 515 -5.663 -6.380 -0.234
64 HD11 LEU 515 1HD1 LEU 515 -3.886 -4.901 -0.634
65 HD12 LEU 515 2HD1 LEU 515 -5.143 -4.428 -1.777
66 HD13 LEU 515 3HD1 LEU 515 -3.761 -5.375 -2.328
67 HD21 LEU 515 3HD2 LEU 515 -5.865 -6.991 -3.177
68 HD22 LEU 515 1HD2 LEU 515 -6.872 -5.802 -2.350
69 HD23 LEU 515 2HD2 LEU 515 -6.957 -7.503 -1.889
70 H HIS 516 H HIS 516 -3.037 -9.162 2.319
71 HA HIS 516 HA HIS 516 -2.520 -6.597 3.456
72 HB2 HIS 516 2HB HIS 516 -2.381 -9.355 4.289
73 HB3 HIS 516 1HB HIS 516 -0.933 -8.490 4.793
74 HD1 HIS 516 1HD HIS 516 -4.624 -7.531 4.787
75 HD2 HIS 516 2HD HIS 516 -1.333 -7.647 7.319
76 HE1 HIS 516 1HE HIS 516 -5.429 -6.594 6.978
77 HE2 HIS 516 2HE HIS 516 -3.398 -6.598 8.469
78 H TYR 517 H TYR 517 -0.929 -8.286 1.045
79 HA TYR 517 HA TYR 517 1.744 -7.438 1.793
80 HB2 TYR 517 2HB TYR 517 0.604 -9.065 -0.455
81 HB3 TYR 517 1HB TYR 517 2.246 -8.438 -0.554
82 HD1 TYR 517 2HD TYR 517 0.024 -10.417 1.691
83 HD2 TYR 517 1HD TYR 517 3.994 -9.663 0.364
84 HE1 TYR 517 2HE TYR 517 0.824 -12.321 3.024
85 HE2 TYR 517 1HE TYR 517 4.806 -11.564 1.693
86 HH TYR 517 HH TYR 517 3.271 -13.926 2.655
87 H TRP 518 H TRP 518 -0.563 -6.777 -0.839
88 HA TRP 518 HA TRP 518 1.101 -4.654 -1.878
89 HB2 TRP 518 2HB TRP 518 -1.564 -5.795 -2.679
90 HB3 TRP 518 1HB TRP 518 -0.917 -4.341 -3.432
91 HD1 TRP 518 HD TRP 518 1.819 -4.823 -4.342
92 HE1 TRP 518 1HE TRP 518 2.565 -6.802 -5.811
93 HE3 TRP 518 3HE TRP 518 -2.039 -8.040 -3.390
94 HZ2 TRP 518 2HZ TRP 518 1.639 -9.383 -6.479
95 HZ3 TRP 518 3HZ TRP 518 -2.033 -10.244 -4.485
96 HH2 TRP 518 HH TRP 518 -0.232 -10.900 -5.997
97 H THR 519 H THR 519 -1.140 -4.850 0.608
98 HA THR 519 HA THR 519 -2.244 -3.316 1.854
99 HB THR 519 HB THR 519 -1.200 -1.252 2.234
100 HG1 THR 519 1HG THR 519 -1.013 -0.044 0.533
101 HG21 THR 519 3HG2 THR 519 1.248 -1.569 1.901
102 HG22 THR 519 1HG2 THR 519 0.881 -3.049 1.015
103 HG23 THR 519 2HG2 THR 519 0.433 -2.904 2.716
104 H THR 520 H THR 520 -1.657 -1.207 -0.957
105 HA THR 520 HA THR 520 -3.997 -1.557 -2.350
106 HB THR 520 HB THR 520 -4.342 0.176 0.055
107 HG1 THR 520 1HG THR 520 -5.958 -1.577 -1.461
108 HG21 THR 520 3HG2 THR 520 -6.224 1.356 -1.030
109 HG22 THR 520 1HG2 THR 520 -5.657 0.742 -2.585
110 HG23 THR 520 2HG2 THR 520 -4.639 1.828 -1.642
111 H GLN 521 H GLN 521 -2.429 1.305 -0.917
112 HA GLN 521 HA GLN 521 -2.189 2.587 -3.475
113 HB2 GLN 521 2HB GLN 521 -1.431 3.248 -0.671
114 HB3 GLN 521 1HB GLN 521 -0.565 4.065 -1.965
115 HG2 GLN 521 2HG GLN 521 -3.109 4.399 -2.793
116 HG3 GLN 521 1HG GLN 521 -3.334 4.383 -1.044
117 HE21 GLN 521 1HE2 GLN 521 -2.525 6.043 0.185
118 HE22 GLN 521 2HE2 GLN 521 -1.902 7.503 -0.497
119 H ASP 522 H ASP 522 -0.538 0.194 -1.840
120 HA ASP 522 HA ASP 522 1.983 0.777 -3.118
121 HB2 ASP 522 2HB ASP 522 1.321 -1.539 -1.302
122 HB3 ASP 522 1HB ASP 522 2.925 -1.019 -1.801
123 H GLU 523 H GLU 523 -0.851 -0.854 -3.764
124 HA GLU 523 HA GLU 523 -0.259 -3.229 -4.940
125 HB2 GLU 523 2HB GLU 523 -2.238 -2.986 -6.228
126 HB3 GLU 523 1HB GLU 523 -2.512 -2.094 -4.739
127 HG2 GLU 523 2HG GLU 523 -2.133 -0.005 -5.850
128 HG3 GLU 523 1HG GLU 523 -1.654 -0.832 -7.331
129 H GLY 524 H GLY 524 0.609 -0.064 -6.108
130 HA2 GLY 524 2HA GLY 524 2.692 -0.538 -7.638
131 HA3 GLY 524 1HA GLY 524 1.431 -1.152 -8.696
132 H ALA 525 H ALA 525 1.353 1.672 -6.552
133 HA ALA 525 HA ALA 525 0.656 3.289 -8.892
134 HB1 ALA 525 1HB ALA 525 -0.931 3.253 -7.004
135 HB2 ALA 525 2HB ALA 525 -0.324 4.871 -7.355
136 HB3 ALA 525 3HB ALA 525 0.310 3.969 -5.978
137 H ALA 526 H ALA 526 2.524 3.724 -5.880
138 HA ALA 526 HA ALA 526 4.503 5.230 -7.439
139 HB1 ALA 526 1HB ALA 526 3.274 6.952 -6.368
140 HB2 ALA 526 2HB ALA 526 4.756 6.751 -5.434
141 HB3 ALA 526 3HB ALA 526 3.240 6.070 -4.842
142 H ILE 527 H ILE 527 4.511 2.548 -6.681
143 HA ILE 527 HA ILE 527 6.349 2.362 -4.445
144 HB ILE 527 HB ILE 527 6.038 -0.091 -4.721
145 HG12 ILE 527 2HG1 ILE 527 4.101 -0.796 -6.164
146 HG13 ILE 527 1HG1 ILE 527 4.090 0.815 -6.872
147 HG21 ILE 527 1HG2 ILE 527 3.435 0.168 -4.259
148 HG22 ILE 527 2HG2 ILE 527 3.880 1.874 -4.192
149 HG23 ILE 527 3HG2 ILE 527 4.649 0.714 -3.103
150 HD11 ILE 527 3HD1 ILE 527 5.897 0.402 -8.151
151 HD12 ILE 527 1HD1 ILE 527 5.361 -1.266 -7.954
152 HD13 ILE 527 2HD1 ILE 527 6.660 -0.632 -6.944
153 H GLY 528 H GLY 528 6.682 2.935 -7.657
154 HA2 GLY 528 2HA GLY 528 8.627 1.105 -8.509
155 HA3 GLY 528 1HA GLY 528 8.394 2.716 -9.159
156 H LEU 529 H LEU 529 8.963 3.400 -6.040
157 HA LEU 529 HA LEU 529 11.822 3.750 -6.567
158 HB2 LEU 529 2HB LEU 529 11.632 5.264 -4.505
159 HB3 LEU 529 1HB LEU 529 10.898 5.804 -6.003
160 HG LEU 529 HG LEU 529 9.128 4.304 -4.170
161 HD11 LEU 529 1HD1 LEU 529 10.312 6.976 -3.491
162 HD12 LEU 529 2HD1 LEU 529 10.135 5.551 -2.467
163 HD13 LEU 529 3HD1 LEU 529 8.714 6.492 -2.920
164 HD21 LEU 529 3HD2 LEU 529 8.976 6.480 -6.171
165 HD22 LEU 529 1HD2 LEU 529 7.795 6.504 -4.863
166 HD23 LEU 529 2HD2 LEU 529 7.915 5.095 -5.916
167 H ALA 530 H ALA 530 9.609 2.309 -4.252
168 HA ALA 530 HA ALA 530 11.875 1.311 -2.670
169 HB1 ALA 530 1HB ALA 530 9.121 0.799 -1.786
170 HB2 ALA 530 2HB ALA 530 9.624 2.490 -1.831
171 HB3 ALA 530 3HB ALA 530 10.530 1.325 -0.865
172 H TRP 531 H TRP 531 10.044 0.275 -5.204
173 HA TRP 531 HA TRP 531 9.177 -2.265 -4.524
174 HB2 TRP 531 2HB TRP 531 8.910 -0.870 -6.692
175 HB3 TRP 531 1HB TRP 531 10.364 -1.717 -7.209
176 HD1 TRP 531 HD TRP 531 9.860 -3.836 -8.549
177 HE1 TRP 531 1HE TRP 531 7.931 -5.538 -8.667
178 HE3 TRP 531 3HE TRP 531 6.852 -1.912 -4.890
179 HZ2 TRP 531 2HZ TRP 531 5.462 -6.002 -7.379
180 HZ3 TRP 531 3HZ TRP 531 4.725 -3.044 -4.394
181 HH2 TRP 531 HH TRP 531 4.045 -5.047 -5.614
182 H ILE 532 H ILE 532 12.367 -1.157 -4.590
183 HA ILE 532 HA ILE 532 13.306 -3.934 -4.530
184 HB ILE 532 HB ILE 532 15.422 -3.190 -5.592
185 HG12 ILE 532 2HG1 ILE 532 14.624 -0.873 -6.952
186 HG13 ILE 532 1HG1 ILE 532 14.148 -0.595 -5.280
187 HG21 ILE 532 1HG2 ILE 532 14.177 -4.226 -7.179
188 HG22 ILE 532 2HG2 ILE 532 14.141 -2.605 -7.873
189 HG23 ILE 532 3HG2 ILE 532 12.777 -3.184 -6.913
190 HD11 ILE 532 3HD1 ILE 532 16.228 -0.045 -4.801
191 HD12 ILE 532 1HD1 ILE 532 16.715 -0.385 -6.461
192 HD13 ILE 532 2HD1 ILE 532 16.761 -1.665 -5.250
193 HA PRO 533 HA PRO 533 14.142 -1.745 -0.470
194 HB2 PRO 533 2HB PRO 533 14.450 -4.326 0.655
195 HB3 PRO 533 1HB PRO 533 13.067 -3.247 0.826
196 HG2 PRO 533 2HG PRO 533 13.462 -5.543 -1.016
197 HG3 PRO 533 1HG PRO 533 11.970 -4.935 -0.278
198 HD2 PRO 533 2HD PRO 533 12.511 -4.523 -2.865
199 HD3 PRO 533 1HD PRO 533 11.706 -3.275 -1.888
200 H TYR 534 H TYR 534 16.168 -1.003 -1.211
201 HA TYR 534 HA TYR 534 18.375 -2.920 -1.222
202 HB2 TYR 534 2HB TYR 534 19.705 -1.121 -2.191
203 HB3 TYR 534 1HB TYR 534 18.209 -1.323 -3.095
204 HD1 TYR 534 2HD TYR 534 16.381 0.340 -2.842
205 HD2 TYR 534 1HD TYR 534 20.196 0.913 -1.049
206 HE1 TYR 534 2HE TYR 534 15.876 2.728 -2.544
207 HE2 TYR 534 1HE TYR 534 19.701 3.303 -0.746
208 HH TYR 534 HH TYR 534 16.903 4.610 -0.698
209 H PHE 535 H PHE 535 16.969 -0.448 0.730
210 HA PHE 535 HA PHE 535 19.297 0.163 2.267
211 HB2 PHE 535 2HB PHE 535 16.882 1.363 1.964
212 HB3 PHE 535 1HB PHE 535 16.653 0.570 3.519
213 HD1 PHE 535 1HD PHE 535 18.247 1.069 5.384
214 HD2 PHE 535 2HD PHE 535 18.190 3.302 1.761
215 HE1 PHE 535 1HE PHE 535 19.471 2.894 6.493
216 HE2 PHE 535 2HE PHE 535 19.415 5.130 2.863
217 HZ PHE 535 HZ PHE 535 20.057 4.926 5.232
218 H GLY 536 H GLY 536 16.662 -2.152 2.563
219 HA2 GLY 536 2HA GLY 536 17.814 -4.148 3.879
220 HA3 GLY 536 1HA GLY 536 17.607 -2.999 5.191
221 HA PRO 537 HA PRO 537 13.418 -4.137 5.926
222 HB2 PRO 537 2HB PRO 537 11.907 -1.889 5.412
223 HB3 PRO 537 1HB PRO 537 12.816 -2.163 6.902
224 HG2 PRO 537 2HG PRO 537 13.564 -0.558 4.492
225 HG3 PRO 537 1HG PRO 537 13.797 -0.179 6.209
226 HD2 PRO 537 2HD PRO 537 15.813 -1.077 4.696
227 HD3 PRO 537 1HD PRO 537 15.641 -1.572 6.393
228 H ALA 538 H ALA 538 11.016 -3.504 4.840
229 HA ALA 538 HA ALA 538 11.057 -4.966 2.397
230 HB1 ALA 538 1HB ALA 538 8.879 -3.561 3.913
231 HB2 ALA 538 2HB ALA 538 9.143 -5.294 3.710
232 HB3 ALA 538 3HB ALA 538 8.587 -4.320 2.347
233 H ALA 539 H ALA 539 10.397 -1.579 3.209
234 HA ALA 539 HA ALA 539 10.621 0.340 1.970
235 HB1 ALA 539 1HB ALA 539 11.682 -1.304 -0.295
236 HB2 ALA 539 2HB ALA 539 12.676 -0.880 1.104
237 HB3 ALA 539 3HB ALA 539 12.004 0.391 0.082
238 H GLU 540 H GLU 540 9.723 -2.350 -0.098
239 HA GLU 540 HA GLU 540 8.308 -1.314 -2.091
240 HB2 GLU 540 2HB GLU 540 8.124 -3.753 -0.482
241 HB3 GLU 540 1HB GLU 540 6.668 -3.385 -1.401
242 HG2 GLU 540 2HG GLU 540 8.006 -3.287 -3.449
243 HG3 GLU 540 1HG GLU 540 9.454 -3.673 -2.517
244 H GLY 541 H GLY 541 7.277 -1.243 1.255
245 HA2 GLY 541 2HA GLY 541 4.865 0.225 0.386
246 HA3 GLY 541 1HA GLY 541 4.822 -0.915 1.723
247 H ILE 542 H ILE 542 7.231 -0.240 2.964
248 HA ILE 542 HA ILE 542 6.403 2.068 4.431
249 HB ILE 542 HB ILE 542 8.553 1.714 5.705
250 HG12 ILE 542 2HG1 ILE 542 9.326 -0.801 5.234
251 HG13 ILE 542 1HG1 ILE 542 8.834 -0.376 3.602
252 HG21 ILE 542 1HG2 ILE 542 7.493 0.253 7.060
253 HG22 ILE 542 2HG2 ILE 542 7.151 -0.881 5.754
254 HG23 ILE 542 3HG2 ILE 542 6.150 0.557 5.957
255 HD11 ILE 542 3HD1 ILE 542 11.150 0.045 3.781
256 HD12 ILE 542 1HD1 ILE 542 10.937 0.945 5.284
257 HD13 ILE 542 2HD1 ILE 542 10.338 1.611 3.764
258 H TYR 543 H TYR 543 8.678 1.538 1.833
259 HA TYR 543 HA TYR 543 9.614 4.314 2.185
260 HB2 TYR 543 2HB TYR 543 11.163 2.021 2.005
261 HB3 TYR 543 1HB TYR 543 11.245 2.702 0.385
262 HD1 TYR 543 2HD TYR 543 11.905 5.184 0.195
263 HD2 TYR 543 1HD TYR 543 12.500 2.868 3.714
264 HE1 TYR 543 2HE TYR 543 13.590 6.800 0.967
265 HE2 TYR 543 1HE TYR 543 14.186 4.478 4.496
266 HH TYR 543 HH TYR 543 14.598 7.107 3.982
267 H ALA 544 H ALA 544 7.633 2.384 0.382
268 HA ALA 544 HA ALA 544 8.000 3.917 -2.097
269 HB1 ALA 544 1HB ALA 544 7.685 1.922 -3.034
270 HB2 ALA 544 2HB ALA 544 6.013 1.991 -2.479
271 HB3 ALA 544 3HB ALA 544 7.240 1.206 -1.486
272 H GLU 545 H GLU 545 5.796 3.182 0.512
273 HA GLU 545 HA GLU 545 3.897 5.174 -0.555
274 HB2 GLU 545 2HB GLU 545 2.934 2.937 -0.496
275 HB3 GLU 545 1HB GLU 545 3.379 2.768 1.200
276 HG2 GLU 545 2HG GLU 545 1.078 3.282 1.159
277 HG3 GLU 545 1HG GLU 545 1.911 4.755 1.669
278 H GLY 546 H GLY 546 5.618 3.976 2.230
279 HA2 GLY 546 2HA GLY 546 5.765 4.725 4.408
280 HA3 GLY 546 1HA GLY 546 6.190 6.201 3.562
281 H LEU 547 H LEU 547 2.953 4.670 3.739
282 HA LEU 547 HA LEU 547 2.022 6.321 5.797
283 HB2 LEU 547 2HB LEU 547 1.698 8.281 4.838
284 HB3 LEU 547 1HB LEU 547 2.361 7.652 3.346
285 HG LEU 547 HG LEU 547 -0.494 7.036 3.777
286 HD11 LEU 547 1HD1 LEU 547 0.546 9.803 3.840
287 HD12 LEU 547 2HD1 LEU 547 -0.919 9.121 4.546
288 HD13 LEU 547 3HD1 LEU 547 -0.859 9.487 2.822
289 HD21 LEU 547 3HD2 LEU 547 -0.534 7.040 1.519
290 HD22 LEU 547 1HD2 LEU 547 1.212 6.864 1.702
291 HD23 LEU 547 2HD2 LEU 547 0.512 8.455 1.397
292 H MET 548 H MET 548 0.659 5.219 2.676
293 HA MET 548 HA MET 548 -1.583 4.094 4.170
294 HB2 MET 548 2HB MET 548 -1.234 5.170 1.492
295 HB3 MET 548 1HB MET 548 -2.061 3.618 1.474
296 HG2 MET 548 2HG MET 548 -3.854 4.980 1.709
297 HG3 MET 548 1HG MET 548 -3.456 4.753 3.411
298 HE1 MET 548 3HE MET 548 -5.276 6.658 2.937
299 HE2 MET 548 1HE MET 548 -4.905 7.765 1.614
300 HE3 MET 548 2HE MET 548 -4.781 8.314 3.286
301 H HIS 549 H HIS 549 1.309 2.989 3.658
302 HA HIS 549 HA HIS 549 1.025 0.582 2.236
303 HB2 HIS 549 2HB HIS 549 3.044 -0.134 3.594
304 HB3 HIS 549 1HB HIS 549 3.228 1.354 2.673
305 HD1 HIS 549 1HD HIS 549 4.359 3.125 3.957
306 HD2 HIS 549 2HD HIS 549 2.171 0.598 6.428
307 HE1 HIS 549 1HE HIS 549 4.742 3.972 6.293
308 HE2 HIS 549 2HE HIS 549 3.350 2.473 7.764
309 H ASN 550 H ASN 550 -0.332 1.536 5.173
310 HA ASN 550 HA ASN 550 -0.461 -1.171 6.225
311 HB2 ASN 550 2HB ASN 550 0.062 0.643 7.787
312 HB3 ASN 550 1HB ASN 550 -1.450 1.446 7.374
313 HD21 ASN 550 1HD2 ASN 550 -0.155 -1.576 8.675
314 HD22 ASN 550 2HD2 ASN 550 -1.471 -1.882 9.752
315 H GLN 551 H GLN 551 -2.527 1.225 4.748
316 HA GLN 551 HA GLN 551 -5.001 0.036 5.381
317 HB2 GLN 551 2HB GLN 551 -5.944 1.425 3.633
318 HB3 GLN 551 1HB GLN 551 -4.781 2.355 4.568
319 HG2 GLN 551 2HG GLN 551 -3.603 2.818 2.758
320 HG3 GLN 551 1HG GLN 551 -3.485 1.114 2.328
321 HE21 GLN 551 1HE2 GLN 551 -3.804 3.382 0.574
322 HE22 GLN 551 2HE2 GLN 551 -5.280 3.143 -0.290
323 H ASP 552 H ASP 552 -4.317 -2.198 5.054
324 HA ASP 552 HA ASP 552 -3.924 -3.171 2.386
325 HB2 ASP 552 2HB ASP 552 -4.458 -4.657 4.960
326 HB3 ASP 552 1HB ASP 552 -3.982 -5.403 3.438
327 H GLY 553 H GLY 553 -6.543 -1.793 3.237
328 HA2 GLY 553 2HA GLY 553 -8.450 -2.304 1.709
329 HA3 GLY 553 1HA GLY 553 -8.348 -3.943 2.333
330 H LEU 554 H LEU 554 -7.762 -3.047 5.040
331 HA LEU 554 HA LEU 554 -10.279 -3.068 6.189
332 HB2 LEU 554 2HB LEU 554 -7.929 -1.642 7.399
333 HB3 LEU 554 1HB LEU 554 -9.213 -2.511 8.226
334 HG LEU 554 HG LEU 554 -8.071 -4.487 6.688
335 HD11 LEU 554 1HD1 LEU 554 -5.784 -4.311 6.620
336 HD12 LEU 554 2HD1 LEU 554 -5.728 -3.103 7.904
337 HD13 LEU 554 3HD1 LEU 554 -6.260 -2.646 6.285
338 HD21 LEU 554 3HD2 LEU 554 -7.050 -5.227 8.828
339 HD22 LEU 554 1HD2 LEU 554 -8.748 -4.773 8.974
340 HD23 LEU 554 2HD2 LEU 554 -7.489 -3.671 9.531
341 H ILE 555 H ILE 555 -8.114 -0.307 5.819
342 HA ILE 555 HA ILE 555 -9.992 1.647 6.625
343 HB ILE 555 HB ILE 555 -7.418 1.845 5.092
344 HG12 ILE 555 2HG1 ILE 555 -6.601 1.195 7.098
345 HG13 ILE 555 1HG1 ILE 555 -6.858 2.882 7.523
346 HG21 ILE 555 1HG2 ILE 555 -9.374 3.879 5.806
347 HG22 ILE 555 2HG2 ILE 555 -8.041 3.944 4.653
348 HG23 ILE 555 3HG2 ILE 555 -7.744 4.255 6.364
349 HD11 ILE 555 3HD1 ILE 555 -8.668 0.560 8.140
350 HD12 ILE 555 1HD1 ILE 555 -9.072 2.250 8.449
351 HD13 ILE 555 2HD1 ILE 555 -7.705 1.504 9.278
352 H CYS 556 H CYS 556 -11.638 0.622 5.094
353 HA CYS 556 HA CYS 556 -11.461 1.214 2.315
354 HB2 CYS 556 2HB CYS 556 -12.853 -0.621 3.433
355 HB3 CYS 556 1HB CYS 556 -14.014 0.648 3.809
356 H GLY 557 H GLY 557 -12.000 3.191 4.951
357 HA2 GLY 557 2HA GLY 557 -14.062 4.891 4.089
358 HA3 GLY 557 1HA GLY 557 -12.784 5.325 5.208
359 H LEU 558 H LEU 558 -11.198 4.384 2.509
360 HA LEU 558 HA LEU 558 -10.534 7.059 1.778
361 HB2 LEU 558 2HB LEU 558 -9.053 5.953 0.123
362 HB3 LEU 558 1HB LEU 558 -8.819 5.403 1.773
363 HG LEU 558 HG LEU 558 -10.405 3.466 1.135
364 HD11 LEU 558 1HD1 LEU 558 -9.824 4.710 -1.511
365 HD12 LEU 558 2HD1 LEU 558 -11.318 3.998 -0.900
366 HD13 LEU 558 3HD1 LEU 558 -9.981 2.957 -1.390
367 HD21 LEU 558 3HD2 LEU 558 -7.551 3.877 0.480
368 HD22 LEU 558 1HD2 LEU 558 -8.327 2.459 -0.225
369 HD23 LEU 558 2HD2 LEU 558 -8.318 2.680 1.525
370 H ARG 559 H ARG 559 -13.348 6.213 1.174
371 HA ARG 559 HA ARG 559 -13.478 6.035 -1.698
372 HB2 ARG 559 2HB ARG 559 -16.003 6.545 -1.150
373 HB3 ARG 559 1HB ARG 559 -15.312 4.965 -0.816
374 HG2 ARG 559 2HG ARG 559 -15.185 6.975 1.351
375 HG3 ARG 559 1HG ARG 559 -16.769 6.303 0.953
376 HD2 ARG 559 2HD ARG 559 -15.287 4.053 0.998
377 HD3 ARG 559 1HD ARG 559 -14.414 5.023 2.181
378 HE ARG 559 HE ARG 559 -16.918 5.313 3.035
379 HH11 ARG 559 1HH1 ARG 559 -15.182 2.449 2.049
380 HH12 ARG 559 2HH1 ARG 559 -16.084 1.396 3.086
381 HH21 ARG 559 1HH2 ARG 559 -18.100 3.928 4.399
382 HH22 ARG 559 2HH2 ARG 559 -17.740 2.235 4.419
383 H GLN 560 H GLN 560 -14.972 7.622 -2.875
384 HA GLN 560 HA GLN 560 -15.334 9.718 -3.681
385 HB2 GLN 560 2HB GLN 560 -14.853 10.776 -0.903
386 HB3 GLN 560 1HB GLN 560 -15.868 11.458 -2.165
387 HG2 GLN 560 2HG GLN 560 -17.624 10.363 -1.394
388 HG3 GLN 560 1HG GLN 560 -16.781 8.825 -1.575
389 HE21 GLN 560 1HE2 GLN 560 -17.686 7.969 0.283
390 HE22 GLN 560 2HE2 GLN 560 -17.223 8.486 1.865
Start of MODEL 13
1 H1 ALA 507 1HT ALA 507 -16.885 7.305 -3.668
2 H2 ALA 507 2HT ALA 507 -15.733 6.444 -2.732
3 H3 ALA 507 3HT ALA 507 -17.408 6.247 -2.429
4 HA ALA 507 HA ALA 507 -17.662 5.377 -4.667
5 HB1 ALA 507 2HB ALA 507 -14.808 4.720 -4.841
6 HB2 ALA 507 3HB ALA 507 -15.191 6.424 -5.089
7 HB3 ALA 507 1HB ALA 507 -15.947 5.195 -6.103
8 H GLN 508 H GLN 508 -16.405 3.059 -5.156
9 HA GLN 508 HA GLN 508 -16.357 1.601 -2.606
10 HB2 GLN 508 2HB GLN 508 -18.131 1.236 -4.924
11 HB3 GLN 508 1HB GLN 508 -17.365 -0.245 -4.364
12 HG2 GLN 508 2HG GLN 508 -19.517 0.038 -3.313
13 HG3 GLN 508 1HG GLN 508 -18.232 0.162 -2.113
14 HE21 GLN 508 1HE2 GLN 508 -19.603 1.281 -0.709
15 HE22 GLN 508 2HE2 GLN 508 -20.011 2.940 -0.966
16 HA PRO 509 HA PRO 509 -12.424 0.904 -4.971
17 HB2 PRO 509 2HB PRO 509 -11.126 0.216 -2.598
18 HB3 PRO 509 1HB PRO 509 -11.106 1.811 -3.356
19 HG2 PRO 509 2HG PRO 509 -12.773 0.796 -1.104
20 HG3 PRO 509 1HG PRO 509 -12.060 2.401 -1.341
21 HD2 PRO 509 2HD PRO 509 -14.667 1.953 -1.753
22 HD3 PRO 509 1HD PRO 509 -13.749 3.076 -2.780
23 H LYS 510 H LYS 510 -12.981 -0.972 -2.030
24 HA LYS 510 HA LYS 510 -13.912 -3.326 -3.038
25 HB2 LYS 510 2HB LYS 510 -11.966 -4.747 -3.315
26 HB3 LYS 510 1HB LYS 510 -11.873 -3.388 -4.420
27 HG2 LYS 510 2HG LYS 510 -10.556 -2.845 -1.892
28 HG3 LYS 510 1HG LYS 510 -9.887 -4.249 -2.723
29 HD2 LYS 510 2HD LYS 510 -9.342 -2.989 -4.634
30 HD3 LYS 510 1HD LYS 510 -10.363 -1.639 -4.135
31 HE2 LYS 510 2HE LYS 510 -8.819 -1.384 -2.145
32 HE3 LYS 510 1HE LYS 510 -7.739 -2.520 -2.951
33 HZ1 LYS 510 3HZ LYS 510 -8.273 0.260 -3.548
34 HZ2 LYS 510 1HZ LYS 510 -8.209 -0.752 -4.904
35 HZ3 LYS 510 2HZ LYS 510 -6.891 -0.668 -3.850
36 H CYS 511 H CYS 511 -11.801 -1.749 -0.835
37 HA CYS 511 HA CYS 511 -11.335 -2.003 1.375
38 HB2 CYS 511 2HB CYS 511 -13.760 -1.416 1.368
39 HB3 CYS 511 1HB CYS 511 -14.130 -3.134 1.478
40 H ASN 512 H ASN 512 -9.842 -3.743 0.566
41 HA ASN 512 HA ASN 512 -10.588 -6.360 1.691
42 HB2 ASN 512 2HB ASN 512 -8.598 -5.620 -0.462
43 HB3 ASN 512 1HB ASN 512 -8.656 -7.215 0.285
44 HD21 ASN 512 1HD2 ASN 512 -9.221 -6.122 -2.480
45 HD22 ASN 512 2HD2 ASN 512 -10.759 -6.794 -2.889
46 HA PRO 513 HA PRO 513 -7.473 -4.546 4.582
47 HB2 PRO 513 2HB PRO 513 -8.622 -5.497 6.843
48 HB3 PRO 513 1HB PRO 513 -9.110 -3.981 6.077
49 HG2 PRO 513 2HG PRO 513 -10.394 -6.678 5.941
50 HG3 PRO 513 1HG PRO 513 -11.151 -5.081 6.082
51 HD2 PRO 513 2HD PRO 513 -10.983 -6.462 3.736
52 HD3 PRO 513 1HD PRO 513 -11.031 -4.687 3.820
53 H ASN 514 H ASN 514 -7.940 -7.454 3.302
54 HA ASN 514 HA ASN 514 -6.429 -8.981 5.277
55 HB2 ASN 514 2HB ASN 514 -8.367 -10.101 4.367
56 HB3 ASN 514 1HB ASN 514 -7.829 -9.788 2.720
57 HD21 ASN 514 1HD2 ASN 514 -6.546 -11.237 5.700
58 HD22 ASN 514 2HD2 ASN 514 -5.860 -12.624 4.932
59 H LEU 515 H LEU 515 -5.948 -7.175 2.427
60 HA LEU 515 HA LEU 515 -3.501 -8.596 1.708
61 HB2 LEU 515 2HB LEU 515 -5.031 -6.345 0.420
62 HB3 LEU 515 1HB LEU 515 -3.446 -6.844 -0.140
63 HG LEU 515 HG LEU 515 -4.931 -9.208 -0.037
64 HD11 LEU 515 1HD1 LEU 515 -6.630 -6.878 -0.684
65 HD12 LEU 515 2HD1 LEU 515 -7.063 -8.452 -0.017
66 HD13 LEU 515 3HD1 LEU 515 -6.763 -8.280 -1.746
67 HD21 LEU 515 3HD2 LEU 515 -3.795 -7.421 -2.100
68 HD22 LEU 515 1HD2 LEU 515 -4.971 -8.615 -2.647
69 HD23 LEU 515 2HD2 LEU 515 -3.514 -9.136 -1.801
70 H HIS 516 H HIS 516 -2.555 -7.965 3.814
71 HA HIS 516 HA HIS 516 -1.875 -5.200 4.227
72 HB2 HIS 516 2HB HIS 516 -1.982 -7.516 5.819
73 HB3 HIS 516 1HB HIS 516 -0.297 -7.008 5.819
74 HD1 HIS 516 1HD HIS 516 0.280 -4.819 7.023
75 HD2 HIS 516 2HD HIS 516 -3.775 -5.723 7.051
76 HE1 HIS 516 1HE HIS 516 -0.749 -3.237 8.684
77 HE2 HIS 516 2HE HIS 516 -3.191 -3.855 8.742
78 H TYR 517 H TYR 517 -0.623 -7.573 2.236
79 HA TYR 517 HA TYR 517 2.160 -7.082 2.551
80 HB2 TYR 517 2HB TYR 517 0.483 -8.455 0.482
81 HB3 TYR 517 1HB TYR 517 2.188 -8.150 0.171
82 HD1 TYR 517 2HD TYR 517 0.309 -9.261 3.208
83 HD2 TYR 517 1HD TYR 517 3.392 -10.104 0.400
84 HE1 TYR 517 2HE TYR 517 0.895 -11.289 4.469
85 HE2 TYR 517 1HE TYR 517 3.987 -12.136 1.654
86 HH TYR 517 HH TYR 517 3.297 -12.727 4.630
87 H TRP 518 H TRP 518 0.088 -6.294 -0.256
88 HA TRP 518 HA TRP 518 1.966 -4.191 -0.988
89 HB2 TRP 518 2HB TRP 518 -0.237 -5.636 -2.400
90 HB3 TRP 518 1HB TRP 518 0.303 -4.076 -3.012
91 HD1 TRP 518 HD TRP 518 2.707 -3.961 -4.139
92 HE1 TRP 518 1HE TRP 518 4.318 -5.780 -4.987
93 HE3 TRP 518 3HE TRP 518 0.589 -8.034 -1.889
94 HZ2 TRP 518 2HZ TRP 518 4.647 -8.572 -4.736
95 HZ3 TRP 518 3HZ TRP 518 1.613 -10.243 -2.244
96 HH2 TRP 518 HH TRP 518 3.601 -10.505 -3.639
97 H THR 519 H THR 519 -0.648 -4.284 0.986
98 HA THR 519 HA THR 519 -2.065 -2.728 1.824
99 HB THR 519 HB THR 519 -1.289 -0.520 2.025
100 HG1 THR 519 1HG THR 519 -1.023 0.397 0.142
101 HG21 THR 519 3HG2 THR 519 1.114 -2.215 1.394
102 HG22 THR 519 1HG2 THR 519 0.389 -1.910 2.972
103 HG23 THR 519 2HG2 THR 519 1.191 -0.605 2.107
104 H THR 520 H THR 520 -1.256 -1.060 -1.265
105 HA THR 520 HA THR 520 -3.397 -1.885 -2.783
106 HB THR 520 HB THR 520 -4.156 0.151 -0.758
107 HG1 THR 520 1HG THR 520 -4.999 -2.084 -1.062
108 HG21 THR 520 3HG2 THR 520 -5.083 0.323 -3.605
109 HG22 THR 520 1HG2 THR 520 -4.362 1.592 -2.615
110 HG23 THR 520 2HG2 THR 520 -5.980 0.995 -2.242
111 H GLN 521 H GLN 521 -2.244 1.335 -1.792
112 HA GLN 521 HA GLN 521 -1.915 2.230 -4.472
113 HB2 GLN 521 2HB GLN 521 -1.540 3.314 -1.794
114 HB3 GLN 521 1HB GLN 521 -0.263 3.817 -2.891
115 HG2 GLN 521 2HG GLN 521 -1.999 5.458 -2.910
116 HG3 GLN 521 1HG GLN 521 -1.983 4.627 -4.464
117 HE21 GLN 521 1HE2 GLN 521 -3.384 3.761 -1.323
118 HE22 GLN 521 2HE2 GLN 521 -5.001 3.583 -1.901
119 H ASP 522 H ASP 522 -0.146 0.206 -2.432
120 HA ASP 522 HA ASP 522 2.328 0.718 -3.820
121 HB2 ASP 522 2HB ASP 522 1.972 -1.379 -1.706
122 HB3 ASP 522 1HB ASP 522 3.443 -0.532 -2.171
123 H GLU 523 H GLU 523 -0.361 -1.253 -4.135
124 HA GLU 523 HA GLU 523 0.597 -3.711 -4.946
125 HB2 GLU 523 2HB GLU 523 -1.484 -4.061 -5.965
126 HB3 GLU 523 1HB GLU 523 -1.828 -2.882 -4.708
127 HG2 GLU 523 2HG GLU 523 -1.668 -1.095 -6.434
128 HG3 GLU 523 1HG GLU 523 -1.514 -2.359 -7.654
129 H GLY 524 H GLY 524 0.623 -0.665 -6.633
130 HA2 GLY 524 2HA GLY 524 2.719 -1.135 -8.301
131 HA3 GLY 524 1HA GLY 524 1.343 -1.787 -9.182
132 H ALA 525 H ALA 525 1.422 1.032 -7.060
133 HA ALA 525 HA ALA 525 0.976 2.759 -9.394
134 HB1 ALA 525 1HB ALA 525 -0.665 2.679 -6.874
135 HB2 ALA 525 2HB ALA 525 -1.206 2.392 -8.528
136 HB3 ALA 525 3HB ALA 525 -0.717 4.011 -8.029
137 H ALA 526 H ALA 526 2.107 2.422 -6.090
138 HA ALA 526 HA ALA 526 3.725 4.820 -6.470
139 HB1 ALA 526 1HB ALA 526 1.524 4.987 -4.927
140 HB2 ALA 526 2HB ALA 526 2.989 5.926 -4.640
141 HB3 ALA 526 3HB ALA 526 2.701 4.441 -3.733
142 H ILE 527 H ILE 527 4.853 2.595 -6.972
143 HA ILE 527 HA ILE 527 6.028 1.494 -4.553
144 HB ILE 527 HB ILE 527 7.085 -0.149 -6.175
145 HG12 ILE 527 2HG1 ILE 527 6.055 -0.361 -8.377
146 HG13 ILE 527 1HG1 ILE 527 5.026 1.031 -8.066
147 HG21 ILE 527 1HG2 ILE 527 5.290 -0.915 -4.908
148 HG22 ILE 527 2HG2 ILE 527 4.772 -1.232 -6.565
149 HG23 ILE 527 3HG2 ILE 527 4.148 0.177 -5.698
150 HD11 ILE 527 3HD1 ILE 527 7.226 1.180 -9.515
151 HD12 ILE 527 1HD1 ILE 527 7.954 1.437 -7.931
152 HD13 ILE 527 2HD1 ILE 527 6.678 2.513 -8.500
153 H GLY 528 H GLY 528 6.741 3.731 -7.017
154 HA2 GLY 528 2HA GLY 528 8.758 4.615 -7.813
155 HA3 GLY 528 1HA GLY 528 8.782 5.084 -6.125
156 H LEU 529 H LEU 529 10.948 5.112 -5.887
157 HA LEU 529 HA LEU 529 12.760 3.164 -6.795
158 HB2 LEU 529 2HB LEU 529 14.183 4.183 -4.841
159 HB3 LEU 529 1HB LEU 529 13.827 5.120 -6.279
160 HG LEU 529 HG LEU 529 12.213 6.438 -5.155
161 HD11 LEU 529 1HD1 LEU 529 12.279 4.279 -3.089
162 HD12 LEU 529 2HD1 LEU 529 10.893 5.015 -3.896
163 HD13 LEU 529 3HD1 LEU 529 11.768 5.909 -2.654
164 HD21 LEU 529 3HD2 LEU 529 13.591 7.628 -3.813
165 HD22 LEU 529 1HD2 LEU 529 14.796 6.530 -4.485
166 HD23 LEU 529 2HD2 LEU 529 14.103 6.212 -2.895
167 H ALA 530 H ALA 530 10.577 3.117 -4.177
168 HA ALA 530 HA ALA 530 12.059 1.276 -2.532
169 HB1 ALA 530 1HB ALA 530 10.166 3.042 -1.949
170 HB2 ALA 530 2HB ALA 530 10.449 1.599 -0.976
171 HB3 ALA 530 3HB ALA 530 9.149 1.620 -2.170
172 H TRP 531 H TRP 531 10.609 0.826 -5.420
173 HA TRP 531 HA TRP 531 9.045 -1.490 -4.925
174 HB2 TRP 531 2HB TRP 531 8.797 -1.639 -7.268
175 HB3 TRP 531 1HB TRP 531 8.874 0.079 -6.895
176 HD1 TRP 531 HD TRP 531 12.161 0.086 -6.660
177 HE1 TRP 531 1HE TRP 531 13.498 0.075 -8.859
178 HE3 TRP 531 3HE TRP 531 8.546 -1.708 -9.799
179 HZ2 TRP 531 2HZ TRP 531 13.076 -0.604 -11.568
180 HZ3 TRP 531 3HZ TRP 531 9.093 -2.008 -12.179
181 HH2 TRP 531 HH TRP 531 11.311 -1.467 -13.044
182 H ILE 532 H ILE 532 11.809 -1.564 -3.862
183 HA ILE 532 HA ILE 532 12.399 -4.253 -4.646
184 HB ILE 532 HB ILE 532 14.778 -3.815 -5.214
185 HG12 ILE 532 2HG1 ILE 532 14.550 -1.104 -6.090
186 HG13 ILE 532 1HG1 ILE 532 14.091 -1.172 -4.392
187 HG21 ILE 532 1HG2 ILE 532 12.872 -2.414 -7.080
188 HG22 ILE 532 2HG2 ILE 532 13.031 -4.165 -6.942
189 HG23 ILE 532 3HG2 ILE 532 14.396 -3.198 -7.501
190 HD11 ILE 532 3HD1 ILE 532 16.362 -0.782 -4.311
191 HD12 ILE 532 1HD1 ILE 532 16.700 -1.855 -5.670
192 HD13 ILE 532 2HD1 ILE 532 16.262 -2.531 -4.101
193 HA PRO 533 HA PRO 533 13.008 -2.999 -0.153
194 HB2 PRO 533 2HB PRO 533 12.366 -5.646 0.561
195 HB3 PRO 533 1HB PRO 533 11.304 -4.241 0.658
196 HG2 PRO 533 2HG PRO 533 11.489 -6.336 -1.449
197 HG3 PRO 533 1HG PRO 533 10.067 -5.460 -0.853
198 HD2 PRO 533 2HD PRO 533 11.168 -4.865 -3.215
199 HD3 PRO 533 1HD PRO 533 10.520 -3.588 -2.161
200 H TYR 534 H TYR 534 15.269 -2.837 -0.616
201 HA TYR 534 HA TYR 534 16.795 -5.330 -0.591
202 HB2 TYR 534 2HB TYR 534 17.350 -3.585 -2.268
203 HB3 TYR 534 1HB TYR 534 17.773 -2.491 -0.956
204 HD1 TYR 534 1HD TYR 534 18.745 -5.574 -2.725
205 HD2 TYR 534 2HD TYR 534 19.864 -2.689 0.193
206 HE1 TYR 534 1HE TYR 534 21.039 -6.457 -2.742
207 HE2 TYR 534 2HE TYR 534 22.162 -3.564 0.185
208 HH TYR 534 HH TYR 534 23.455 -5.317 -2.109
209 H PHE 535 H PHE 535 16.051 -2.572 1.404
210 HA PHE 535 HA PHE 535 18.174 -2.930 3.272
211 HB2 PHE 535 2HB PHE 535 15.534 -1.536 3.733
212 HB3 PHE 535 1HB PHE 535 17.029 -1.299 4.631
213 HD1 PHE 535 1HD PHE 535 18.884 -0.060 3.654
214 HD2 PHE 535 2HD PHE 535 15.198 -0.534 1.579
215 HE1 PHE 535 1HE PHE 535 19.519 1.755 2.118
216 HE2 PHE 535 2HE PHE 535 15.827 1.280 0.039
217 HZ PHE 535 HZ PHE 535 17.990 2.425 0.308
218 H GLY 536 H GLY 536 14.873 -4.129 3.043
219 HA2 GLY 536 2HA GLY 536 15.049 -6.452 4.334
220 HA3 GLY 536 1HA GLY 536 15.031 -5.336 5.690
221 HA PRO 537 HA PRO 537 10.643 -4.918 5.719
222 HB2 PRO 537 2HB PRO 537 10.143 -2.274 5.065
223 HB3 PRO 537 1HB PRO 537 10.574 -2.850 6.677
224 HG2 PRO 537 2HG PRO 537 12.306 -1.621 4.576
225 HG3 PRO 537 1HG PRO 537 12.319 -1.369 6.332
226 HD2 PRO 537 2HD PRO 537 14.142 -2.922 5.144
227 HD3 PRO 537 1HD PRO 537 13.468 -3.346 6.730
228 H ALA 538 H ALA 538 8.850 -3.465 4.273
229 HA ALA 538 HA ALA 538 8.901 -4.838 1.752
230 HB1 ALA 538 1HB ALA 538 6.743 -3.523 1.381
231 HB2 ALA 538 2HB ALA 538 6.941 -2.969 3.046
232 HB3 ALA 538 3HB ALA 538 6.766 -4.691 2.704
233 H ALA 539 H ALA 539 9.024 -1.451 2.793
234 HA ALA 539 HA ALA 539 9.961 0.399 1.806
235 HB1 ALA 539 1HB ALA 539 11.753 -1.273 1.156
236 HB2 ALA 539 2HB ALA 539 11.612 0.173 0.154
237 HB3 ALA 539 3HB ALA 539 10.942 -1.360 -0.410
238 H GLU 540 H GLU 540 8.767 -1.823 -0.638
239 HA GLU 540 HA GLU 540 8.050 -0.341 -2.715
240 HB2 GLU 540 2HB GLU 540 6.958 -2.705 -1.390
241 HB3 GLU 540 1HB GLU 540 5.806 -1.893 -2.443
242 HG2 GLU 540 2HG GLU 540 7.382 -2.072 -4.296
243 HG3 GLU 540 1HG GLU 540 8.543 -2.872 -3.234
244 H GLY 541 H GLY 541 6.439 -0.217 0.410
245 HA2 GLY 541 2HA GLY 541 4.734 1.942 -0.670
246 HA3 GLY 541 1HA GLY 541 4.123 0.760 0.474
247 H ILE 542 H ILE 542 6.822 0.899 1.884
248 HA ILE 542 HA ILE 542 6.098 3.195 3.527
249 HB ILE 542 HB ILE 542 7.759 2.211 5.169
250 HG12 ILE 542 2HG1 ILE 542 7.878 -0.397 4.705
251 HG13 ILE 542 1HG1 ILE 542 7.814 0.127 3.029
252 HG21 ILE 542 1HG2 ILE 542 5.221 0.855 4.340
253 HG22 ILE 542 2HG2 ILE 542 5.506 1.953 5.689
254 HG23 ILE 542 3HG2 ILE 542 6.137 0.307 5.743
255 HD11 ILE 542 3HD1 ILE 542 9.866 0.901 5.081
256 HD12 ILE 542 1HD1 ILE 542 9.777 1.561 3.448
257 HD13 ILE 542 2HD1 ILE 542 10.093 -0.157 3.686
258 H TYR 543 H TYR 543 8.534 2.282 1.261
259 HA TYR 543 HA TYR 543 10.183 4.548 2.186
260 HB2 TYR 543 2HB TYR 543 10.997 1.945 1.765
261 HB3 TYR 543 1HB TYR 543 11.465 2.747 0.270
262 HD1 TYR 543 1HD TYR 543 11.833 2.875 3.956
263 HD2 TYR 543 2HD TYR 543 13.356 4.154 0.195
264 HE1 TYR 543 1HE TYR 543 13.828 3.776 5.077
265 HE2 TYR 543 2HE TYR 543 15.355 5.058 1.305
266 HH TYR 543 HH TYR 543 15.562 5.567 4.592
267 H ALA 544 H ALA 544 8.094 3.477 -0.216
268 HA ALA 544 HA ALA 544 9.210 5.281 -2.243
269 HB1 ALA 544 1HB ALA 544 8.774 3.447 -3.469
270 HB2 ALA 544 2HB ALA 544 7.113 4.043 -3.449
271 HB3 ALA 544 3HB ALA 544 7.626 2.813 -2.290
272 H GLU 545 H GLU 545 6.387 4.595 -0.305
273 HA GLU 545 HA GLU 545 5.179 7.141 -1.177
274 HB2 GLU 545 2HB GLU 545 3.805 5.312 -1.881
275 HB3 GLU 545 1HB GLU 545 3.922 4.542 -0.306
276 HG2 GLU 545 2HG GLU 545 1.828 5.433 -0.184
277 HG3 GLU 545 1HG GLU 545 2.765 6.751 0.518
278 H GLY 546 H GLY 546 5.963 5.061 1.536
279 HA2 GLY 546 2HA GLY 546 5.726 5.353 3.820
280 HA3 GLY 546 1HA GLY 546 6.515 6.876 3.436
281 H LEU 547 H LEU 547 3.203 5.628 2.882
282 HA LEU 547 HA LEU 547 2.020 7.299 4.808
283 HB2 LEU 547 2HB LEU 547 1.438 9.193 3.724
284 HB3 LEU 547 1HB LEU 547 2.899 8.821 2.830
285 HG LEU 547 HG LEU 547 1.131 7.562 1.259
286 HD11 LEU 547 1HD1 LEU 547 -0.809 9.249 1.081
287 HD12 LEU 547 2HD1 LEU 547 -0.415 9.636 2.756
288 HD13 LEU 547 3HD1 LEU 547 -0.885 7.994 2.319
289 HD21 LEU 547 3HD2 LEU 547 1.101 9.626 -0.112
290 HD22 LEU 547 1HD2 LEU 547 2.705 9.192 0.477
291 HD23 LEU 547 2HD2 LEU 547 1.804 10.495 1.252
292 H MET 548 H MET 548 1.490 5.808 1.634
293 HA MET 548 HA MET 548 -1.194 5.031 2.470
294 HB2 MET 548 2HB MET 548 0.107 5.455 -0.127
295 HB3 MET 548 1HB MET 548 -0.916 4.028 -0.063
296 HG2 MET 548 2HG MET 548 -2.681 5.308 -0.385
297 HG3 MET 548 1HG MET 548 -2.363 6.110 1.152
298 HE1 MET 548 3HE MET 548 -3.950 7.674 -0.770
299 HE2 MET 548 1HE MET 548 -3.106 9.196 -1.053
300 HE3 MET 548 2HE MET 548 -3.234 8.551 0.582
301 H HIS 549 H HIS 549 1.621 3.841 3.159
302 HA HIS 549 HA HIS 549 1.515 1.192 2.174
303 HB2 HIS 549 2HB HIS 549 3.178 0.710 3.984
304 HB3 HIS 549 1HB HIS 549 3.624 2.066 2.954
305 HD1 HIS 549 1HD HIS 549 4.074 4.252 4.085
306 HD2 HIS 549 2HD HIS 549 2.165 1.534 6.583
307 HE1 HIS 549 1HE HIS 549 4.071 5.319 6.362
308 HE2 HIS 549 2HE HIS 549 2.983 3.622 7.873
309 H ASN 550 H ASN 550 -0.347 2.828 4.418
310 HA ASN 550 HA ASN 550 -0.957 0.453 5.987
311 HB2 ASN 550 2HB ASN 550 -0.615 2.529 7.214
312 HB3 ASN 550 1HB ASN 550 -1.850 3.333 6.246
313 HD21 ASN 550 1HD2 ASN 550 -3.416 3.779 7.641
314 HD22 ASN 550 2HD2 ASN 550 -4.186 2.641 8.689
315 H GLN 551 H GLN 551 -2.175 2.175 3.316
316 HA GLN 551 HA GLN 551 -4.937 1.583 3.620
317 HB2 GLN 551 2HB GLN 551 -3.798 1.853 0.886
318 HB3 GLN 551 1HB GLN 551 -5.246 2.571 1.575
319 HG2 GLN 551 2HG GLN 551 -2.421 3.441 2.130
320 HG3 GLN 551 1HG GLN 551 -3.555 4.241 1.045
321 HE21 GLN 551 1HE2 GLN 551 -2.320 4.163 4.131
322 HE22 GLN 551 2HE2 GLN 551 -3.520 5.117 4.929
323 H ASP 552 H ASP 552 -4.215 -0.706 4.351
324 HA ASP 552 HA ASP 552 -3.889 -2.536 2.106
325 HB2 ASP 552 2HB ASP 552 -4.041 -3.248 5.032
326 HB3 ASP 552 1HB ASP 552 -3.394 -4.223 3.718
327 H GLY 553 H GLY 553 -6.420 -1.015 2.787
328 HA2 GLY 553 2HA GLY 553 -8.536 -1.950 1.959
329 HA3 GLY 553 1HA GLY 553 -8.192 -3.370 2.938
330 H LEU 554 H LEU 554 -7.192 -1.887 5.179
331 HA LEU 554 HA LEU 554 -9.458 -1.603 6.750
332 HB2 LEU 554 2HB LEU 554 -6.956 0.010 7.156
333 HB3 LEU 554 1HB LEU 554 -8.045 -0.629 8.378
334 HG LEU 554 HG LEU 554 -7.020 -2.847 6.929
335 HD11 LEU 554 1HD1 LEU 554 -4.606 -2.582 7.445
336 HD12 LEU 554 2HD1 LEU 554 -4.909 -0.880 7.795
337 HD13 LEU 554 3HD1 LEU 554 -5.183 -1.508 6.170
338 HD21 LEU 554 3HD2 LEU 554 -5.923 -2.211 9.592
339 HD22 LEU 554 1HD2 LEU 554 -6.705 -3.679 9.004
340 HD23 LEU 554 2HD2 LEU 554 -7.680 -2.286 9.472
341 H ILE 555 H ILE 555 -7.504 0.880 5.190
342 HA ILE 555 HA ILE 555 -9.323 2.997 5.859
343 HB ILE 555 HB ILE 555 -6.880 2.910 4.104
344 HG12 ILE 555 2HG1 ILE 555 -5.987 2.586 6.186
345 HG13 ILE 555 1HG1 ILE 555 -6.055 4.343 6.170
346 HG21 ILE 555 1HG2 ILE 555 -7.746 4.840 3.314
347 HG22 ILE 555 2HG2 ILE 555 -7.082 5.498 4.810
348 HG23 ILE 555 3HG2 ILE 555 -8.790 5.067 4.717
349 HD11 ILE 555 3HD1 ILE 555 -7.764 2.399 7.651
350 HD12 ILE 555 1HD1 ILE 555 -8.383 4.005 7.268
351 HD13 ILE 555 2HD1 ILE 555 -6.920 3.832 8.240
352 H CYS 556 H CYS 556 -10.888 1.322 4.608
353 HA CYS 556 HA CYS 556 -11.030 2.020 1.775
354 HB2 CYS 556 2HB CYS 556 -12.727 0.261 1.624
355 HB3 CYS 556 1HB CYS 556 -11.253 -0.350 2.365
356 H GLY 557 H GLY 557 -12.198 3.139 4.693
357 HA2 GLY 557 2HA GLY 557 -14.888 3.680 4.234
358 HA3 GLY 557 1HA GLY 557 -13.838 4.621 5.273
359 H LEU 558 H LEU 558 -12.423 4.803 2.324
360 HA LEU 558 HA LEU 558 -13.166 7.496 1.920
361 HB2 LEU 558 2HB LEU 558 -11.819 7.289 -0.162
362 HB3 LEU 558 1HB LEU 558 -10.985 6.787 1.298
363 HG LEU 558 HG LEU 558 -11.653 4.398 0.670
364 HD11 LEU 558 1HD1 LEU 558 -12.484 5.901 -1.766
365 HD12 LEU 558 2HD1 LEU 558 -13.264 4.541 -0.956
366 HD13 LEU 558 3HD1 LEU 558 -11.818 4.277 -1.933
367 HD21 LEU 558 3HD2 LEU 558 -9.379 5.481 0.425
368 HD22 LEU 558 1HD2 LEU 558 -9.789 5.747 -1.269
369 HD23 LEU 558 2HD2 LEU 558 -9.702 4.106 -0.631
370 H ARG 559 H ARG 559 -15.454 5.557 1.690
371 HA ARG 559 HA ARG 559 -16.206 5.539 -1.079
372 HB2 ARG 559 2HB ARG 559 -18.050 5.144 1.279
373 HB3 ARG 559 1HB ARG 559 -18.253 4.548 -0.363
374 HG2 ARG 559 2HG ARG 559 -17.544 2.636 0.610
375 HG3 ARG 559 1HG ARG 559 -15.967 3.326 0.215
376 HD2 ARG 559 2HD ARG 559 -15.424 3.577 2.363
377 HD3 ARG 559 1HD ARG 559 -16.995 4.258 2.771
378 HE ARG 559 HE ARG 559 -17.530 2.232 3.647
379 HH11 ARG 559 1HH1 ARG 559 -15.137 1.718 1.158
380 HH12 ARG 559 2HH1 ARG 559 -15.084 0.005 1.391
381 HH21 ARG 559 1HH2 ARG 559 -17.456 -0.022 3.956
382 HH22 ARG 559 2HH2 ARG 559 -16.396 -0.984 2.981
383 H GLN 560 H GLN 560 -18.851 6.314 -1.062
384 HA GLN 560 HA GLN 560 -20.178 8.129 -1.395
385 HB2 GLN 560 2HB GLN 560 -18.691 9.320 0.951
386 HB3 GLN 560 1HB GLN 560 -20.280 9.791 0.360
387 HG2 GLN 560 2HG GLN 560 -21.316 8.111 1.419
388 HG3 GLN 560 1HG GLN 560 -20.025 6.960 1.077
389 HE21 GLN 560 1HE2 GLN 560 -18.733 6.391 2.687
390 HE22 GLN 560 2HE2 GLN 560 -18.621 7.185 4.218
Start of MODEL 14
1 H1 ALA 507 1HT ALA 507 -19.876 3.560 -0.753
2 H2 ALA 507 2HT ALA 507 -20.602 2.671 -2.029
3 H3 ALA 507 3HT ALA 507 -20.313 4.354 -2.208
4 HA ALA 507 HA ALA 507 -18.650 3.389 -3.405
5 HB1 ALA 507 2HB ALA 507 -17.789 4.155 -0.648
6 HB2 ALA 507 3HB ALA 507 -17.600 5.035 -2.164
7 HB3 ALA 507 1HB ALA 507 -16.606 3.611 -1.840
8 H GLN 508 H GLN 508 -17.576 1.597 -4.019
9 HA GLN 508 HA GLN 508 -17.330 -0.571 -2.056
10 HB2 GLN 508 2HB GLN 508 -18.240 -0.824 -4.928
11 HB3 GLN 508 1HB GLN 508 -17.818 -2.187 -3.903
12 HG2 GLN 508 2HG GLN 508 -19.923 -0.232 -3.071
13 HG3 GLN 508 1HG GLN 508 -20.292 -1.555 -4.176
14 HE21 GLN 508 1HE2 GLN 508 -21.084 -0.916 -1.347
15 HE22 GLN 508 2HE2 GLN 508 -20.745 -2.364 -0.468
16 HA PRO 509 HA PRO 509 -13.230 0.332 -4.007
17 HB2 PRO 509 2HB PRO 509 -12.253 -0.086 -1.275
18 HB3 PRO 509 1HB PRO 509 -12.038 1.309 -2.335
19 HG2 PRO 509 2HG PRO 509 -13.601 1.396 -0.141
20 HG3 PRO 509 1HG PRO 509 -13.964 2.326 -1.605
21 HD2 PRO 509 2HD PRO 509 -15.164 -0.246 -0.650
22 HD3 PRO 509 1HD PRO 509 -15.957 1.167 -1.382
23 H LYS 510 H LYS 510 -13.335 -1.748 -1.143
24 HA LYS 510 HA LYS 510 -13.271 -4.215 -2.372
25 HB2 LYS 510 2HB LYS 510 -10.969 -4.872 -2.374
26 HB3 LYS 510 1HB LYS 510 -11.103 -3.386 -3.297
27 HG2 LYS 510 2HG LYS 510 -10.407 -3.215 -0.409
28 HG3 LYS 510 1HG LYS 510 -9.177 -3.734 -1.559
29 HD2 LYS 510 2HD LYS 510 -9.275 -1.704 -2.744
30 HD3 LYS 510 1HD LYS 510 -10.798 -1.240 -1.983
31 HE2 LYS 510 2HE LYS 510 -8.528 -1.703 -0.158
32 HE3 LYS 510 1HE LYS 510 -8.391 -0.302 -1.219
33 HZ1 LYS 510 3HZ LYS 510 -10.937 -0.646 0.149
34 HZ2 LYS 510 1HZ LYS 510 -10.063 0.766 -0.175
35 HZ3 LYS 510 2HZ LYS 510 -9.618 -0.224 1.122
36 H CYS 511 H CYS 511 -12.173 -2.239 0.230
37 HA CYS 511 HA CYS 511 -11.913 -2.585 2.477
38 HB2 CYS 511 2HB CYS 511 -14.578 -3.263 1.613
39 HB3 CYS 511 1HB CYS 511 -14.152 -4.181 3.054
40 H ASN 512 H ASN 512 -10.108 -4.130 1.567
41 HA ASN 512 HA ASN 512 -10.459 -6.705 2.950
42 HB2 ASN 512 2HB ASN 512 -8.832 -7.650 1.255
43 HB3 ASN 512 1HB ASN 512 -10.430 -7.257 0.627
44 HD21 ASN 512 1HD2 ASN 512 -9.159 -7.358 -1.405
45 HD22 ASN 512 2HD2 ASN 512 -8.403 -5.904 -1.951
46 HA PRO 513 HA PRO 513 -6.896 -4.451 4.813
47 HB2 PRO 513 2HB PRO 513 -7.478 -5.026 7.376
48 HB3 PRO 513 1HB PRO 513 -8.266 -3.706 6.504
49 HG2 PRO 513 2HG PRO 513 -9.275 -6.460 7.090
50 HG3 PRO 513 1HG PRO 513 -10.137 -4.913 7.159
51 HD2 PRO 513 2HD PRO 513 -10.317 -6.672 5.065
52 HD3 PRO 513 1HD PRO 513 -10.578 -4.922 4.910
53 H ASN 514 H ASN 514 -7.249 -7.391 3.883
54 HA ASN 514 HA ASN 514 -5.500 -8.717 5.807
55 HB2 ASN 514 2HB ASN 514 -7.378 -10.046 5.152
56 HB3 ASN 514 1HB ASN 514 -7.100 -9.717 3.447
57 HD21 ASN 514 1HD2 ASN 514 -5.011 -10.793 6.107
58 HD22 ASN 514 2HD2 ASN 514 -4.434 -12.213 5.309
59 H LEU 515 H LEU 515 -5.503 -7.290 2.648
60 HA LEU 515 HA LEU 515 -2.882 -8.410 2.007
61 HB2 LEU 515 2HB LEU 515 -4.621 -6.573 0.362
62 HB3 LEU 515 1HB LEU 515 -3.189 -7.424 -0.188
63 HG LEU 515 HG LEU 515 -5.681 -8.831 0.764
64 HD11 LEU 515 1HD1 LEU 515 -5.000 -7.638 -1.853
65 HD12 LEU 515 2HD1 LEU 515 -6.573 -7.922 -1.107
66 HD13 LEU 515 3HD1 LEU 515 -5.706 -9.253 -1.871
67 HD21 LEU 515 3HD2 LEU 515 -3.233 -9.738 -0.743
68 HD22 LEU 515 1HD2 LEU 515 -4.682 -10.718 -0.506
69 HD23 LEU 515 2HD2 LEU 515 -3.722 -10.212 0.885
70 H HIS 516 H HIS 516 -2.016 -7.171 3.894
71 HA HIS 516 HA HIS 516 -1.854 -4.325 3.746
72 HB2 HIS 516 2HB HIS 516 -0.105 -4.632 5.545
73 HB3 HIS 516 1HB HIS 516 -1.692 -5.302 5.907
74 HD1 HIS 516 1HD HIS 516 -1.725 -7.674 6.644
75 HD2 HIS 516 2HD HIS 516 1.785 -6.711 4.640
76 HE1 HIS 516 1HE HIS 516 -0.264 -9.713 6.828
77 HE2 HIS 516 2HE HIS 516 1.880 -9.083 5.665
78 H TYR 517 H TYR 517 -0.329 -6.705 1.966
79 HA TYR 517 HA TYR 517 2.286 -5.596 1.782
80 HB2 TYR 517 2HB TYR 517 0.829 -7.474 -0.087
81 HB3 TYR 517 1HB TYR 517 2.552 -7.118 -0.144
82 HD1 TYR 517 1HD TYR 517 3.913 -7.647 1.997
83 HD2 TYR 517 2HD TYR 517 0.054 -9.251 1.199
84 HE1 TYR 517 1HE TYR 517 4.345 -9.465 3.595
85 HE2 TYR 517 2HE TYR 517 0.475 -11.073 2.796
86 HH TYR 517 HH TYR 517 1.922 -11.492 4.774
87 H TRP 518 H TRP 518 -0.360 -5.687 -0.620
88 HA TRP 518 HA TRP 518 0.928 -3.682 -2.230
89 HB2 TRP 518 2HB TRP 518 -1.387 -5.475 -2.479
90 HB3 TRP 518 1HB TRP 518 -1.586 -3.917 -3.275
91 HD1 TRP 518 HD TRP 518 -1.169 -4.376 -5.761
92 HE1 TRP 518 1HE TRP 518 0.683 -5.520 -7.134
93 HE3 TRP 518 3HE TRP 518 1.650 -6.254 -1.927
94 HZ2 TRP 518 2HZ TRP 518 3.025 -7.018 -6.658
95 HZ3 TRP 518 3HZ TRP 518 3.680 -7.530 -2.473
96 HH2 TRP 518 HH TRP 518 4.352 -7.904 -4.790
97 H THR 519 H THR 519 -1.416 -3.657 0.302
98 HA THR 519 HA THR 519 -2.627 -2.005 1.274
99 HB THR 519 HB THR 519 -1.579 0.080 1.574
100 HG1 THR 519 1HG THR 519 -0.191 0.983 0.044
101 HG21 THR 519 3HG2 THR 519 0.606 -1.824 0.764
102 HG22 THR 519 1HG2 THR 519 -0.083 -1.609 2.375
103 HG23 THR 519 2HG2 THR 519 0.848 -0.308 1.633
104 H THR 520 H THR 520 -1.717 -0.076 -1.583
105 HA THR 520 HA THR 520 -3.951 -0.526 -3.159
106 HB THR 520 HB THR 520 -4.406 1.407 -0.932
107 HG1 THR 520 1HG THR 520 -6.293 0.404 -0.859
108 HG21 THR 520 3HG2 THR 520 -4.702 3.055 -2.480
109 HG22 THR 520 1HG2 THR 520 -6.312 2.335 -2.451
110 HG23 THR 520 2HG2 THR 520 -5.186 1.932 -3.750
111 H GLN 521 H GLN 521 -2.393 2.397 -1.854
112 HA GLN 521 HA GLN 521 -1.933 3.492 -4.456
113 HB2 GLN 521 2HB GLN 521 -0.874 4.253 -1.731
114 HB3 GLN 521 1HB GLN 521 -0.527 5.155 -3.198
115 HG2 GLN 521 2HG GLN 521 -3.323 4.839 -3.075
116 HG3 GLN 521 1HG GLN 521 -2.786 5.327 -1.469
117 HE21 GLN 521 1HE2 GLN 521 -1.355 7.225 -1.378
118 HE22 GLN 521 2HE2 GLN 521 -1.631 8.514 -2.495
119 H ASP 522 H ASP 522 -0.484 1.101 -2.627
120 HA ASP 522 HA ASP 522 2.119 1.497 -3.804
121 HB2 ASP 522 2HB ASP 522 1.090 -0.404 -1.717
122 HB3 ASP 522 1HB ASP 522 2.683 -0.597 -2.439
123 H GLU 523 H GLU 523 -0.756 -0.034 -4.531
124 HA GLU 523 HA GLU 523 -0.205 -2.480 -5.576
125 HB2 GLU 523 2HB GLU 523 -2.083 -2.195 -7.025
126 HB3 GLU 523 1HB GLU 523 -2.423 -1.314 -5.542
127 HG2 GLU 523 2HG GLU 523 -2.904 0.446 -6.788
128 HG3 GLU 523 1HG GLU 523 -1.194 0.544 -7.208
129 H GLY 524 H GLY 524 0.837 0.600 -6.840
130 HA2 GLY 524 2HA GLY 524 2.965 -0.095 -8.267
131 HA3 GLY 524 1HA GLY 524 1.686 -0.595 -9.360
132 H ALA 525 H ALA 525 1.731 2.238 -7.239
133 HA ALA 525 HA ALA 525 1.281 3.892 -9.603
134 HB1 ALA 525 1HB ALA 525 0.547 5.623 -8.008
135 HB2 ALA 525 2HB ALA 525 0.897 4.516 -6.681
136 HB3 ALA 525 3HB ALA 525 -0.365 4.121 -7.849
137 H ALA 526 H ALA 526 3.114 4.195 -6.558
138 HA ALA 526 HA ALA 526 5.294 5.412 -8.096
139 HB1 ALA 526 1HB ALA 526 3.783 6.619 -5.861
140 HB2 ALA 526 2HB ALA 526 4.590 7.389 -7.227
141 HB3 ALA 526 3HB ALA 526 5.534 6.835 -5.844
142 H ILE 527 H ILE 527 5.006 2.794 -7.232
143 HA ILE 527 HA ILE 527 6.717 2.535 -4.905
144 HB ILE 527 HB ILE 527 6.166 0.094 -5.130
145 HG12 ILE 527 2HG1 ILE 527 4.253 -0.499 -6.558
146 HG13 ILE 527 1HG1 ILE 527 4.180 1.146 -7.181
147 HG21 ILE 527 1HG2 ILE 527 3.694 0.581 -4.524
148 HG22 ILE 527 2HG2 ILE 527 4.154 2.273 -4.730
149 HG23 ILE 527 3HG2 ILE 527 4.969 1.272 -3.522
150 HD11 ILE 527 3HD1 ILE 527 6.692 -0.416 -7.513
151 HD12 ILE 527 1HD1 ILE 527 6.007 0.852 -8.527
152 HD13 ILE 527 2HD1 ILE 527 5.310 -0.769 -8.548
153 H GLY 528 H GLY 528 7.248 2.902 -8.114
154 HA2 GLY 528 2HA GLY 528 8.970 0.875 -8.883
155 HA3 GLY 528 1HA GLY 528 9.061 2.529 -9.456
156 H LEU 529 H LEU 529 9.540 3.177 -6.384
157 HA LEU 529 HA LEU 529 12.438 2.861 -6.657
158 HB2 LEU 529 2HB LEU 529 12.421 4.519 -4.696
159 HB3 LEU 529 1HB LEU 529 11.974 5.096 -6.289
160 HG LEU 529 HG LEU 529 9.765 4.182 -4.531
161 HD11 LEU 529 1HD1 LEU 529 11.003 5.400 -2.906
162 HD12 LEU 529 2HD1 LEU 529 9.704 6.453 -3.473
163 HD13 LEU 529 3HD1 LEU 529 11.353 6.693 -4.053
164 HD21 LEU 529 3HD2 LEU 529 8.844 5.010 -6.421
165 HD22 LEU 529 1HD2 LEU 529 10.227 6.047 -6.771
166 HD23 LEU 529 2HD2 LEU 529 9.029 6.545 -5.575
167 H ALA 530 H ALA 530 9.814 2.165 -4.400
168 HA ALA 530 HA ALA 530 11.711 0.799 -2.624
169 HB1 ALA 530 1HB ALA 530 10.395 1.356 -0.907
170 HB2 ALA 530 2HB ALA 530 8.914 0.996 -1.798
171 HB3 ALA 530 3HB ALA 530 9.736 2.537 -2.039
172 H TRP 531 H TRP 531 9.855 -0.078 -5.184
173 HA TRP 531 HA TRP 531 8.508 -2.338 -4.126
174 HB2 TRP 531 2HB TRP 531 8.007 -2.915 -6.395
175 HB3 TRP 531 1HB TRP 531 7.863 -1.172 -6.207
176 HD1 TRP 531 HD TRP 531 11.202 -0.860 -6.429
177 HE1 TRP 531 1HE TRP 531 12.183 -0.877 -8.809
178 HE3 TRP 531 3HE TRP 531 7.306 -3.066 -8.897
179 HZ2 TRP 531 2HZ TRP 531 11.407 -1.713 -11.391
180 HZ3 TRP 531 3HZ TRP 531 7.506 -3.439 -11.321
181 HH2 TRP 531 HH TRP 531 9.514 -2.775 -12.541
182 H ILE 532 H ILE 532 11.336 -2.244 -3.428
183 HA ILE 532 HA ILE 532 11.946 -4.987 -3.973
184 HB ILE 532 HB ILE 532 14.222 -4.558 -4.855
185 HG12 ILE 532 2HG1 ILE 532 13.802 -1.954 -5.965
186 HG13 ILE 532 1HG1 ILE 532 13.562 -1.864 -4.222
187 HG21 ILE 532 1HG2 ILE 532 12.077 -3.401 -6.625
188 HG22 ILE 532 2HG2 ILE 532 12.309 -5.124 -6.330
189 HG23 ILE 532 3HG2 ILE 532 13.569 -4.190 -7.135
190 HD11 ILE 532 3HD1 ILE 532 16.009 -2.684 -5.737
191 HD12 ILE 532 1HD1 ILE 532 15.787 -3.103 -4.038
192 HD13 ILE 532 2HD1 ILE 532 15.823 -1.409 -4.532
193 HA PRO 533 HA PRO 533 12.989 -3.223 0.258
194 HB2 PRO 533 2HB PRO 533 12.544 -5.782 1.340
195 HB3 PRO 533 1HB PRO 533 11.432 -4.413 1.387
196 HG2 PRO 533 2HG PRO 533 11.496 -6.742 -0.466
197 HG3 PRO 533 1HG PRO 533 10.105 -5.849 0.172
198 HD2 PRO 533 2HD PRO 533 10.933 -5.514 -2.351
199 HD3 PRO 533 1HD PRO 533 10.324 -4.146 -1.394
200 H TYR 534 H TYR 534 15.172 -3.077 -0.583
201 HA TYR 534 HA TYR 534 16.796 -5.496 -0.343
202 HB2 TYR 534 2HB TYR 534 16.877 -3.275 -2.067
203 HB3 TYR 534 1HB TYR 534 18.296 -3.127 -1.038
204 HD1 TYR 534 2HD TYR 534 19.905 -5.073 -0.913
205 HD2 TYR 534 1HD TYR 534 16.812 -4.841 -3.825
206 HE1 TYR 534 2HE TYR 534 21.081 -6.742 -2.285
207 HE2 TYR 534 1HE TYR 534 17.978 -6.510 -5.205
208 HH TYR 534 HH TYR 534 19.632 -8.327 -4.894
209 H PHE 535 H PHE 535 16.255 -2.393 1.168
210 HA PHE 535 HA PHE 535 18.572 -2.361 2.795
211 HB2 PHE 535 2HB PHE 535 16.499 -0.605 2.253
212 HB3 PHE 535 1HB PHE 535 16.256 -1.008 3.949
213 HD1 PHE 535 2HD PHE 535 18.610 0.431 1.514
214 HD2 PHE 535 1HD PHE 535 17.742 -0.226 5.628
215 HE1 PHE 535 2HE PHE 535 20.377 2.026 2.138
216 HE2 PHE 535 1HE PHE 535 19.507 1.368 6.260
217 HZ PHE 535 HZ PHE 535 20.826 2.497 4.513
218 H GLY 536 H GLY 536 15.357 -3.727 3.216
219 HA2 GLY 536 2HA GLY 536 15.803 -5.791 4.811
220 HA3 GLY 536 1HA GLY 536 15.967 -4.482 5.971
221 HA PRO 537 HA PRO 537 11.629 -4.111 6.637
222 HB2 PRO 537 2HB PRO 537 10.923 -1.599 5.750
223 HB3 PRO 537 1HB PRO 537 11.674 -1.935 7.313
224 HG2 PRO 537 2HG PRO 537 12.931 -0.996 4.768
225 HG3 PRO 537 1HG PRO 537 13.252 -0.482 6.435
226 HD2 PRO 537 2HD PRO 537 14.890 -2.170 5.162
227 HD3 PRO 537 1HD PRO 537 14.547 -2.350 6.894
228 H ALA 538 H ALA 538 9.558 -2.970 5.382
229 HA ALA 538 HA ALA 538 9.190 -4.666 3.122
230 HB1 ALA 538 1HB ALA 538 7.297 -4.231 4.504
231 HB2 ALA 538 2HB ALA 538 6.984 -3.491 2.933
232 HB3 ALA 538 3HB ALA 538 7.474 -2.488 4.299
233 H ALA 539 H ALA 539 9.399 -1.147 3.531
234 HA ALA 539 HA ALA 539 10.103 0.515 2.113
235 HB1 ALA 539 1HB ALA 539 10.935 -1.622 0.182
236 HB2 ALA 539 2HB ALA 539 11.907 -1.161 1.583
237 HB3 ALA 539 3HB ALA 539 11.555 0.024 0.325
238 H GLU 540 H GLU 540 8.767 -2.150 0.247
239 HA GLU 540 HA GLU 540 7.747 -1.067 -1.956
240 HB2 GLU 540 2HB GLU 540 6.999 -3.251 -0.187
241 HB3 GLU 540 1HB GLU 540 5.631 -2.641 -1.112
242 HG2 GLU 540 2HG GLU 540 8.198 -3.260 -2.499
243 HG3 GLU 540 1HG GLU 540 7.110 -4.568 -2.040
244 H GLY 541 H GLY 541 6.503 -0.469 1.272
245 HA2 GLY 541 2HA GLY 541 4.551 1.392 0.070
246 HA3 GLY 541 1HA GLY 541 4.160 0.415 1.474
247 H ILE 542 H ILE 542 6.838 0.818 2.660
248 HA ILE 542 HA ILE 542 6.248 3.376 3.887
249 HB ILE 542 HB ILE 542 8.161 2.780 5.431
250 HG12 ILE 542 2HG1 ILE 542 8.441 0.147 5.393
251 HG13 ILE 542 1HG1 ILE 542 8.116 0.358 3.680
252 HG21 ILE 542 1HG2 ILE 542 5.552 1.433 5.176
253 HG22 ILE 542 2HG2 ILE 542 6.212 2.397 6.498
254 HG23 ILE 542 3HG2 ILE 542 6.693 0.711 6.311
255 HD11 ILE 542 3HD1 ILE 542 10.466 0.342 3.992
256 HD12 ILE 542 1HD1 ILE 542 10.363 1.554 5.270
257 HD13 ILE 542 2HD1 ILE 542 9.988 1.994 3.604
258 H TYR 543 H TYR 543 8.476 2.122 1.557
259 HA TYR 543 HA TYR 543 10.036 4.619 1.750
260 HB2 TYR 543 2HB TYR 543 10.810 1.835 0.961
261 HB3 TYR 543 1HB TYR 543 11.687 3.199 0.278
262 HD1 TYR 543 1HD TYR 543 11.810 5.059 2.542
263 HD2 TYR 543 2HD TYR 543 12.280 0.831 2.457
264 HE1 TYR 543 1HE TYR 543 13.203 5.179 4.564
265 HE2 TYR 543 2HE TYR 543 13.674 0.940 4.479
266 HH TYR 543 HH TYR 543 14.889 3.890 5.718
267 H ALA 544 H ALA 544 7.740 2.969 -0.039
268 HA ALA 544 HA ALA 544 8.458 4.276 -2.573
269 HB1 ALA 544 1HB ALA 544 6.232 2.711 -3.026
270 HB2 ALA 544 2HB ALA 544 7.138 1.796 -1.821
271 HB3 ALA 544 3HB ALA 544 7.906 2.253 -3.342
272 H GLU 545 H GLU 545 5.947 3.956 -0.138
273 HA GLU 545 HA GLU 545 4.511 6.223 -1.360
274 HB2 GLU 545 2HB GLU 545 3.159 4.260 -1.492
275 HB3 GLU 545 1HB GLU 545 3.510 3.833 0.178
276 HG2 GLU 545 2HG GLU 545 1.285 4.691 0.060
277 HG3 GLU 545 1HG GLU 545 2.298 5.869 0.899
278 H GLY 546 H GLY 546 5.724 4.792 1.590
279 HA2 GLY 546 2HA GLY 546 5.773 5.541 3.772
280 HA3 GLY 546 1HA GLY 546 6.442 6.957 2.985
281 H LEU 547 H LEU 547 3.073 5.705 3.020
282 HA LEU 547 HA LEU 547 2.117 7.500 4.915
283 HB2 LEU 547 2HB LEU 547 2.023 9.466 3.911
284 HB3 LEU 547 1HB LEU 547 2.799 8.768 2.507
285 HG LEU 547 HG LEU 547 -0.122 8.361 2.608
286 HD11 LEU 547 1HD1 LEU 547 0.024 10.592 3.592
287 HD12 LEU 547 2HD1 LEU 547 -0.658 10.638 1.966
288 HD13 LEU 547 3HD1 LEU 547 1.017 11.123 2.234
289 HD21 LEU 547 3HD2 LEU 547 0.704 9.653 0.268
290 HD22 LEU 547 1HD2 LEU 547 0.394 7.932 0.487
291 HD23 LEU 547 2HD2 LEU 547 2.024 8.566 0.698
292 H MET 548 H MET 548 0.978 6.463 1.691
293 HA MET 548 HA MET 548 -1.534 5.626 2.885
294 HB2 MET 548 2HB MET 548 -0.629 6.328 0.194
295 HB3 MET 548 1HB MET 548 -1.682 4.919 0.230
296 HG2 MET 548 2HG MET 548 -3.275 6.502 0.053
297 HG3 MET 548 1HG MET 548 -3.103 6.522 1.805
298 HE1 MET 548 3HE MET 548 -4.259 9.632 0.940
299 HE2 MET 548 1HE MET 548 -4.287 8.374 -0.297
300 HE3 MET 548 2HE MET 548 -3.458 9.899 -0.610
301 H HIS 549 H HIS 549 1.266 4.204 2.976
302 HA HIS 549 HA HIS 549 0.865 1.719 1.708
303 HB2 HIS 549 2HB HIS 549 3.086 2.028 2.241
304 HB3 HIS 549 1HB HIS 549 2.727 2.760 3.799
305 HD1 HIS 549 1HD HIS 549 2.681 -0.677 2.168
306 HD2 HIS 549 2HD HIS 549 3.080 1.087 5.909
307 HE1 HIS 549 1HE HIS 549 3.227 -2.559 3.743
308 HE2 HIS 549 2HE HIS 549 3.537 -1.458 5.987
309 H ASN 550 H ASN 550 -0.681 3.104 4.347
310 HA ASN 550 HA ASN 550 -1.245 0.548 5.614
311 HB2 ASN 550 2HB ASN 550 -1.626 3.414 6.354
312 HB3 ASN 550 1HB ASN 550 -2.701 2.222 7.082
313 HD21 ASN 550 1HD2 ASN 550 0.142 3.835 7.445
314 HD22 ASN 550 2HD2 ASN 550 0.933 2.778 8.560
315 H GLN 551 H GLN 551 -2.560 2.501 3.202
316 HA GLN 551 HA GLN 551 -5.330 1.961 3.657
317 HB2 GLN 551 2HB GLN 551 -4.267 2.566 0.929
318 HB3 GLN 551 1HB GLN 551 -5.751 3.115 1.694
319 HG2 GLN 551 2HG GLN 551 -2.975 4.058 2.369
320 HG3 GLN 551 1HG GLN 551 -4.152 4.924 1.386
321 HE21 GLN 551 1HE2 GLN 551 -5.945 5.858 2.373
322 HE22 GLN 551 2HE2 GLN 551 -6.021 6.122 4.078
323 H ASP 552 H ASP 552 -4.476 -0.410 4.058
324 HA ASP 552 HA ASP 552 -4.496 -1.950 1.574
325 HB2 ASP 552 2HB ASP 552 -3.781 -3.838 2.975
326 HB3 ASP 552 1HB ASP 552 -2.710 -2.454 3.170
327 H GLY 553 H GLY 553 -6.879 -0.642 2.910
328 HA2 GLY 553 2HA GLY 553 -9.065 -1.716 2.324
329 HA3 GLY 553 1HA GLY 553 -8.499 -3.090 3.267
330 H LEU 554 H LEU 554 -7.240 -1.414 5.280
331 HA LEU 554 HA LEU 554 -9.265 -1.229 7.177
332 HB2 LEU 554 2HB LEU 554 -6.779 0.475 7.101
333 HB3 LEU 554 1HB LEU 554 -7.694 0.000 8.521
334 HG LEU 554 HG LEU 554 -6.639 -2.253 6.950
335 HD11 LEU 554 1HD1 LEU 554 -4.657 -1.179 6.618
336 HD12 LEU 554 2HD1 LEU 554 -4.383 -1.799 8.246
337 HD13 LEU 554 3HD1 LEU 554 -4.868 -0.119 8.012
338 HD21 LEU 554 3HD2 LEU 554 -5.950 -2.938 9.278
339 HD22 LEU 554 1HD2 LEU 554 -7.681 -2.721 9.021
340 HD23 LEU 554 2HD2 LEU 554 -6.749 -1.476 9.853
341 H ILE 555 H ILE 555 -7.661 1.383 5.422
342 HA ILE 555 HA ILE 555 -9.569 3.356 6.238
343 HB ILE 555 HB ILE 555 -7.357 3.453 4.202
344 HG12 ILE 555 2HG1 ILE 555 -6.201 3.107 6.165
345 HG13 ILE 555 1HG1 ILE 555 -6.317 4.863 6.160
346 HG21 ILE 555 1HG2 ILE 555 -7.947 5.536 3.704
347 HG22 ILE 555 2HG2 ILE 555 -8.010 5.982 5.409
348 HG23 ILE 555 3HG2 ILE 555 -9.426 5.277 4.629
349 HD11 ILE 555 3HD1 ILE 555 -6.887 4.344 8.324
350 HD12 ILE 555 1HD1 ILE 555 -7.750 2.878 7.858
351 HD13 ILE 555 2HD1 ILE 555 -8.471 4.459 7.555
352 H CYS 556 H CYS 556 -11.217 1.687 5.212
353 HA CYS 556 HA CYS 556 -11.588 1.641 2.423
354 HB2 CYS 556 2HB CYS 556 -12.789 0.439 4.607
355 HB3 CYS 556 1HB CYS 556 -14.065 1.468 3.964
356 H GLY 557 H GLY 557 -12.028 4.164 4.654
357 HA2 GLY 557 2HA GLY 557 -14.256 5.510 3.635
358 HA3 GLY 557 1HA GLY 557 -12.907 6.271 4.462
359 H LEU 558 H LEU 558 -11.224 4.983 2.152
360 HA LEU 558 HA LEU 558 -10.899 7.315 0.657
361 HB2 LEU 558 2HB LEU 558 -9.657 5.830 -0.953
362 HB3 LEU 558 1HB LEU 558 -9.105 5.784 0.710
363 HG LEU 558 HG LEU 558 -10.751 3.698 0.820
364 HD11 LEU 558 1HD1 LEU 558 -10.106 2.562 -1.536
365 HD12 LEU 558 2HD1 LEU 558 -10.366 4.230 -2.046
366 HD13 LEU 558 3HD1 LEU 558 -11.649 3.352 -1.213
367 HD21 LEU 558 3HD2 LEU 558 -8.802 2.268 0.286
368 HD22 LEU 558 1HD2 LEU 558 -8.409 3.602 1.371
369 HD23 LEU 558 2HD2 LEU 558 -7.967 3.692 -0.334
370 H ARG 559 H ARG 559 -12.843 4.445 0.016
371 HA ARG 559 HA ARG 559 -14.605 4.093 -1.388
372 HB2 ARG 559 2HB ARG 559 -14.534 6.933 -2.325
373 HB3 ARG 559 1HB ARG 559 -15.911 5.866 -2.121
374 HG2 ARG 559 2HG ARG 559 -14.375 7.344 -0.012
375 HG3 ARG 559 1HG ARG 559 -16.088 7.466 -0.413
376 HD2 ARG 559 2HD ARG 559 -16.309 5.061 0.307
377 HD3 ARG 559 1HD ARG 559 -14.663 5.178 0.932
378 HE ARG 559 HE ARG 559 -15.977 7.281 2.071
379 HH11 ARG 559 1HH1 ARG 559 -16.498 3.833 1.961
380 HH12 ARG 559 2HH1 ARG 559 -17.265 3.772 3.512
381 HH21 ARG 559 1HH2 ARG 559 -16.985 7.204 4.112
382 HH22 ARG 559 2HH2 ARG 559 -17.542 5.686 4.734
383 H GLN 560 H GLN 560 -15.209 5.145 -3.894
384 HA GLN 560 HA GLN 560 -13.198 3.868 -5.472
385 HB2 GLN 560 2HB GLN 560 -14.684 4.488 -7.386
386 HB3 GLN 560 1HB GLN 560 -15.484 3.566 -6.121
387 HG2 GLN 560 2HG GLN 560 -15.669 6.447 -5.739
388 HG3 GLN 560 1HG GLN 560 -16.400 5.888 -7.243
389 HE21 GLN 560 1HE2 GLN 560 -17.038 6.565 -4.128
390 HE22 GLN 560 2HE2 GLN 560 -18.400 5.536 -3.863
Start of MODEL 15
1 H1 ALA 507 1HT ALA 507 -19.029 5.315 -0.628
2 H2 ALA 507 2HT ALA 507 -18.437 4.156 0.491
3 H3 ALA 507 3HT ALA 507 -19.980 3.946 -0.226
4 HA ALA 507 HA ALA 507 -19.097 3.512 -2.290
5 HB1 ALA 507 2HB ALA 507 -17.147 5.281 -1.633
6 HB2 ALA 507 3HB ALA 507 -17.113 4.231 -3.046
7 HB3 ALA 507 1HB ALA 507 -16.265 3.755 -1.575
8 H GLN 508 H GLN 508 -17.491 1.715 -2.914
9 HA GLN 508 HA GLN 508 -17.191 -0.188 -0.693
10 HB2 GLN 508 2HB GLN 508 -19.070 -0.420 -2.741
11 HB3 GLN 508 1HB GLN 508 -17.767 -1.495 -3.228
12 HG2 GLN 508 2HG GLN 508 -18.397 -3.020 -1.758
13 HG3 GLN 508 1HG GLN 508 -18.333 -1.848 -0.441
14 HE21 GLN 508 1HE2 GLN 508 -20.252 -0.276 -0.487
15 HE22 GLN 508 2HE2 GLN 508 -21.804 -0.999 -0.717
16 HA PRO 509 HA PRO 509 -13.194 0.387 -2.972
17 HB2 PRO 509 2HB PRO 509 -12.150 -0.049 -0.242
18 HB3 PRO 509 1HB PRO 509 -11.775 1.231 -1.400
19 HG2 PRO 509 2HG PRO 509 -13.247 1.723 0.776
20 HG3 PRO 509 1HG PRO 509 -13.591 2.517 -0.772
21 HD2 PRO 509 2HD PRO 509 -14.978 0.196 0.515
22 HD3 PRO 509 1HD PRO 509 -15.673 1.588 -0.345
23 H LYS 510 H LYS 510 -13.223 -1.672 -0.081
24 HA LYS 510 HA LYS 510 -13.458 -4.150 -1.183
25 HB2 LYS 510 2HB LYS 510 -11.253 -4.981 -1.585
26 HB3 LYS 510 1HB LYS 510 -11.448 -3.514 -2.527
27 HG2 LYS 510 2HG LYS 510 -10.385 -2.720 -0.054
28 HG3 LYS 510 1HG LYS 510 -9.483 -4.150 -0.551
29 HD2 LYS 510 2HD LYS 510 -8.316 -2.901 -1.973
30 HD3 LYS 510 1HD LYS 510 -9.802 -2.510 -2.840
31 HE2 LYS 510 2HE LYS 510 -9.935 -0.869 -0.645
32 HE3 LYS 510 1HE LYS 510 -8.210 -0.886 -1.006
33 HZ1 LYS 510 3HZ LYS 510 -9.939 0.752 -2.182
34 HZ2 LYS 510 1HZ LYS 510 -9.980 -0.533 -3.282
35 HZ3 LYS 510 2HZ LYS 510 -8.512 0.227 -2.923
36 H CYS 511 H CYS 511 -11.821 -2.169 1.107
37 HA CYS 511 HA CYS 511 -11.171 -2.470 3.279
38 HB2 CYS 511 2HB CYS 511 -13.963 -3.249 2.951
39 HB3 CYS 511 1HB CYS 511 -13.226 -3.942 4.391
40 H ASN 512 H ASN 512 -9.794 -4.240 1.784
41 HA ASN 512 HA ASN 512 -9.793 -6.682 3.438
42 HB2 ASN 512 2HB ASN 512 -9.590 -6.324 0.496
43 HB3 ASN 512 1HB ASN 512 -8.533 -7.534 1.216
44 HD21 ASN 512 1HD2 ASN 512 -9.728 -9.088 0.001
45 HD22 ASN 512 2HD2 ASN 512 -11.252 -9.659 0.579
46 HA PRO 513 HA PRO 513 -5.751 -4.549 4.054
47 HB2 PRO 513 2HB PRO 513 -5.569 -5.003 6.700
48 HB3 PRO 513 1HB PRO 513 -6.540 -3.681 6.038
49 HG2 PRO 513 2HG PRO 513 -7.416 -6.379 7.001
50 HG3 PRO 513 1HG PRO 513 -8.158 -4.793 7.286
51 HD2 PRO 513 2HD PRO 513 -9.054 -6.555 5.405
52 HD3 PRO 513 1HD PRO 513 -9.235 -4.795 5.257
53 H ASN 514 H ASN 514 -6.805 -7.713 4.100
54 HA ASN 514 HA ASN 514 -4.680 -9.070 5.341
55 HB2 ASN 514 2HB ASN 514 -6.701 -10.260 4.873
56 HB3 ASN 514 1HB ASN 514 -6.602 -9.885 3.157
57 HD21 ASN 514 1HD2 ASN 514 -6.832 -12.168 2.832
58 HD22 ASN 514 2HD2 ASN 514 -5.456 -13.205 2.969
59 H LEU 515 H LEU 515 -5.133 -7.928 2.022
60 HA LEU 515 HA LEU 515 -2.490 -8.934 1.283
61 HB2 LEU 515 2HB LEU 515 -4.485 -7.506 -0.469
62 HB3 LEU 515 1HB LEU 515 -3.091 -8.437 -0.984
63 HG LEU 515 HG LEU 515 -4.956 -10.001 0.630
64 HD11 LEU 515 1HD1 LEU 515 -6.865 -9.308 -0.276
65 HD12 LEU 515 2HD1 LEU 515 -6.300 -10.024 -1.785
66 HD13 LEU 515 3HD1 LEU 515 -6.031 -8.309 -1.466
67 HD21 LEU 515 3HD2 LEU 515 -4.174 -11.665 -0.648
68 HD22 LEU 515 1HD2 LEU 515 -2.968 -10.489 -1.173
69 HD23 LEU 515 2HD2 LEU 515 -4.415 -10.762 -2.143
70 H HIS 516 H HIS 516 -1.923 -7.169 3.044
71 HA HIS 516 HA HIS 516 -1.850 -4.454 2.172
72 HB2 HIS 516 2HB HIS 516 -1.803 -5.295 4.573
73 HB3 HIS 516 1HB HIS 516 -0.106 -5.680 4.303
74 HD1 HIS 516 1HD HIS 516 1.543 -3.697 4.112
75 HD2 HIS 516 2HD HIS 516 -2.391 -2.571 4.835
76 HE1 HIS 516 1HE HIS 516 1.646 -1.271 4.766
77 HE2 HIS 516 2HE HIS 516 -0.733 -0.641 5.298
78 H TYR 517 H TYR 517 -0.089 -7.098 1.161
79 HA TYR 517 HA TYR 517 2.527 -6.122 0.995
80 HB2 TYR 517 2HB TYR 517 1.076 -8.063 -0.815
81 HB3 TYR 517 1HB TYR 517 2.817 -7.803 -0.813
82 HD1 TYR 517 2HD TYR 517 3.784 -7.903 1.765
83 HD2 TYR 517 1HD TYR 517 0.407 -9.992 0.239
84 HE1 TYR 517 2HE TYR 517 4.040 -9.594 3.531
85 HE2 TYR 517 1HE TYR 517 0.653 -11.689 2.000
86 HH TYR 517 HH TYR 517 1.639 -11.916 4.216
87 H TRP 518 H TRP 518 -0.301 -5.463 -0.919
88 HA TRP 518 HA TRP 518 1.357 -3.811 -2.702
89 HB2 TRP 518 2HB TRP 518 -0.139 -4.220 -4.495
90 HB3 TRP 518 1HB TRP 518 0.185 -5.781 -3.753
91 HD1 TRP 518 HD TRP 518 -2.565 -3.046 -3.340
92 HE1 TRP 518 1HE TRP 518 -4.831 -4.252 -3.145
93 HE3 TRP 518 3HE TRP 518 -0.937 -7.884 -3.610
94 HZ2 TRP 518 2HZ TRP 518 -5.800 -6.904 -3.113
95 HZ3 TRP 518 3HZ TRP 518 -2.597 -9.696 -3.494
96 HH2 TRP 518 HH TRP 518 -4.978 -9.214 -3.250
97 H THR 519 H THR 519 -1.101 -3.778 -0.352
98 HA THR 519 HA THR 519 -2.468 -2.159 0.469
99 HB THR 519 HB THR 519 -1.565 0.043 0.629
100 HG1 THR 519 1HG THR 519 -0.763 0.935 -1.076
101 HG21 THR 519 3HG2 THR 519 -0.182 -1.596 1.765
102 HG22 THR 519 1HG2 THR 519 0.795 -0.279 1.116
103 HG23 THR 519 2HG2 THR 519 0.762 -1.838 0.294
104 H THR 520 H THR 520 -1.488 -0.352 -2.433
105 HA THR 520 HA THR 520 -3.649 -0.938 -4.070
106 HB THR 520 HB THR 520 -4.204 1.124 -1.995
107 HG1 THR 520 1HG THR 520 -5.688 -0.784 -3.452
108 HG21 THR 520 3HG2 THR 520 -4.430 2.690 -3.631
109 HG22 THR 520 1HG2 THR 520 -6.032 1.954 -3.674
110 HG23 THR 520 2HG2 THR 520 -4.819 1.499 -4.873
111 H GLN 521 H GLN 521 -2.148 2.077 -2.908
112 HA GLN 521 HA GLN 521 -1.561 2.951 -5.578
113 HB2 GLN 521 2HB GLN 521 -1.506 4.086 -2.929
114 HB3 GLN 521 1HB GLN 521 0.012 4.413 -3.754
115 HG2 GLN 521 2HG GLN 521 -1.442 6.232 -4.182
116 HG3 GLN 521 1HG GLN 521 -1.313 5.300 -5.671
117 HE21 GLN 521 1HE2 GLN 521 -3.278 5.054 -2.723
118 HE22 GLN 521 2HE2 GLN 521 -4.798 4.960 -3.539
119 H ASP 522 H ASP 522 -0.199 0.792 -3.432
120 HA ASP 522 HA ASP 522 2.474 1.144 -4.447
121 HB2 ASP 522 2HB ASP 522 1.519 -0.921 -2.468
122 HB3 ASP 522 1HB ASP 522 3.186 -0.460 -2.796
123 H GLU 523 H GLU 523 -0.307 -0.491 -5.262
124 HA GLU 523 HA GLU 523 0.338 -3.008 -6.049
125 HB2 GLU 523 2HB GLU 523 -1.439 -2.881 -7.619
126 HB3 GLU 523 1HB GLU 523 -1.874 -1.814 -6.292
127 HG2 GLU 523 2HG GLU 523 -1.272 0.119 -7.572
128 HG3 GLU 523 1HG GLU 523 -0.638 -0.888 -8.873
129 H GLY 524 H GLY 524 1.519 -0.043 -7.447
130 HA2 GLY 524 2HA GLY 524 3.751 -0.785 -8.616
131 HA3 GLY 524 1HA GLY 524 2.606 -1.474 -9.757
132 H ALA 525 H ALA 525 2.363 1.599 -8.006
133 HA ALA 525 HA ALA 525 2.108 2.930 -10.599
134 HB1 ALA 525 1HB ALA 525 1.007 3.421 -7.910
135 HB2 ALA 525 2HB ALA 525 0.277 3.655 -9.498
136 HB3 ALA 525 3HB ALA 525 1.405 4.852 -8.862
137 H ALA 526 H ALA 526 3.541 3.703 -7.420
138 HA ALA 526 HA ALA 526 5.819 4.893 -8.842
139 HB1 ALA 526 1HB ALA 526 4.545 6.794 -8.220
140 HB2 ALA 526 2HB ALA 526 5.863 6.678 -7.055
141 HB3 ALA 526 3HB ALA 526 4.241 6.146 -6.609
142 H ILE 527 H ILE 527 5.596 2.355 -7.768
143 HA ILE 527 HA ILE 527 7.028 2.409 -5.248
144 HB ILE 527 HB ILE 527 6.655 -0.062 -5.289
145 HG12 ILE 527 2HG1 ILE 527 4.893 -0.852 -6.906
146 HG13 ILE 527 1HG1 ILE 527 5.078 0.661 -7.784
147 HG21 ILE 527 1HG2 ILE 527 4.456 1.963 -5.414
148 HG22 ILE 527 2HG2 ILE 527 5.147 1.152 -4.006
149 HG23 ILE 527 3HG2 ILE 527 4.091 0.265 -5.103
150 HD11 ILE 527 3HD1 ILE 527 7.384 -1.194 -7.312
151 HD12 ILE 527 1HD1 ILE 527 7.232 0.097 -8.503
152 HD13 ILE 527 2HD1 ILE 527 6.288 -1.381 -8.679
153 H GLY 528 H GLY 528 7.921 2.559 -8.392
154 HA2 GLY 528 2HA GLY 528 9.844 0.595 -8.767
155 HA3 GLY 528 1HA GLY 528 9.883 2.184 -9.503
156 H LEU 529 H LEU 529 9.978 3.020 -6.375
157 HA LEU 529 HA LEU 529 12.904 3.036 -6.406
158 HB2 LEU 529 2HB LEU 529 12.770 4.837 -4.799
159 HB3 LEU 529 1HB LEU 529 11.777 5.191 -6.198
160 HG LEU 529 HG LEU 529 10.470 3.956 -3.818
161 HD11 LEU 529 1HD1 LEU 529 10.772 6.920 -3.940
162 HD12 LEU 529 2HD1 LEU 529 12.031 5.945 -3.182
163 HD13 LEU 529 3HD1 LEU 529 10.379 5.884 -2.569
164 HD21 LEU 529 3HD2 LEU 529 8.845 4.255 -5.355
165 HD22 LEU 529 1HD2 LEU 529 9.730 5.524 -6.202
166 HD23 LEU 529 2HD2 LEU 529 8.845 5.902 -4.724
167 H ALA 530 H ALA 530 10.199 2.051 -4.373
168 HA ALA 530 HA ALA 530 12.077 0.936 -2.412
169 HB1 ALA 530 1HB ALA 530 10.481 1.173 -0.819
170 HB2 ALA 530 2HB ALA 530 9.159 0.906 -1.953
171 HB3 ALA 530 3HB ALA 530 9.986 2.463 -1.915
172 H TRP 531 H TRP 531 10.592 -0.138 -5.120
173 HA TRP 531 HA TRP 531 9.361 -2.525 -4.255
174 HB2 TRP 531 2HB TRP 531 9.069 -1.339 -6.467
175 HB3 TRP 531 1HB TRP 531 10.588 -2.076 -6.963
176 HD1 TRP 531 HD TRP 531 7.131 -3.245 -5.629
177 HE1 TRP 531 1HE TRP 531 6.561 -5.481 -6.768
178 HE3 TRP 531 3HE TRP 531 11.424 -3.900 -8.331
179 HZ2 TRP 531 2HZ TRP 531 7.769 -7.284 -8.573
180 HZ3 TRP 531 3HZ TRP 531 11.635 -5.908 -9.739
181 HH2 TRP 531 HH TRP 531 9.846 -7.564 -9.855
182 H ILE 532 H ILE 532 12.072 -2.195 -3.128
183 HA ILE 532 HA ILE 532 12.950 -4.882 -3.595
184 HB ILE 532 HB ILE 532 15.275 -4.305 -4.181
185 HG12 ILE 532 2HG1 ILE 532 14.955 -1.721 -5.293
186 HG13 ILE 532 1HG1 ILE 532 14.338 -1.640 -3.645
187 HG21 ILE 532 1HG2 ILE 532 13.558 -4.897 -5.897
188 HG22 ILE 532 2HG2 ILE 532 14.908 -3.942 -6.508
189 HG23 ILE 532 3HG2 ILE 532 13.351 -3.172 -6.201
190 HD11 ILE 532 3HD1 ILE 532 16.634 -2.977 -3.226
191 HD12 ILE 532 1HD1 ILE 532 16.486 -1.221 -3.159
192 HD13 ILE 532 2HD1 ILE 532 17.083 -2.000 -4.625
193 HA PRO 533 HA PRO 533 13.489 -3.100 0.733
194 HB2 PRO 533 2HB PRO 533 12.812 -5.571 1.837
195 HB3 PRO 533 1HB PRO 533 11.719 -4.198 1.646
196 HG2 PRO 533 2HG PRO 533 12.043 -6.619 -0.065
197 HG3 PRO 533 1HG PRO 533 10.570 -5.727 0.353
198 HD2 PRO 533 2HD PRO 533 11.728 -5.477 -2.054
199 HD3 PRO 533 1HD PRO 533 10.957 -4.093 -1.250
200 H TYR 534 H TYR 534 15.722 -2.992 0.678
201 HA TYR 534 HA TYR 534 17.233 -5.486 0.540
202 HB2 TYR 534 2HB TYR 534 17.702 -2.792 -0.297
203 HB3 TYR 534 1HB TYR 534 18.980 -3.273 0.814
204 HD1 TYR 534 2HD TYR 534 19.434 -6.057 0.244
205 HD2 TYR 534 1HD TYR 534 18.521 -2.897 -2.454
206 HE1 TYR 534 2HE TYR 534 20.547 -7.291 -1.568
207 HE2 TYR 534 1HE TYR 534 19.631 -4.123 -4.274
208 HH TYR 534 HH TYR 534 21.682 -6.163 -4.136
209 H PHE 535 H PHE 535 17.195 -2.569 2.621
210 HA PHE 535 HA PHE 535 18.226 -4.276 4.795
211 HB2 PHE 535 2HB PHE 535 19.048 -1.627 3.835
212 HB3 PHE 535 1HB PHE 535 18.840 -1.721 5.581
213 HD1 PHE 535 1HD PHE 535 20.148 -3.391 6.882
214 HD2 PHE 535 2HD PHE 535 20.893 -2.625 2.763
215 HE1 PHE 535 1HE PHE 535 22.361 -4.446 7.090
216 HE2 PHE 535 2HE PHE 535 23.107 -3.679 2.963
217 HZ PHE 535 HZ PHE 535 23.843 -4.592 5.129
218 H GLY 536 H GLY 536 15.969 -1.714 3.939
219 HA2 GLY 536 2HA GLY 536 14.944 -1.552 6.650
220 HA3 GLY 536 1HA GLY 536 14.373 -0.639 5.262
221 HA PRO 537 HA PRO 537 11.264 -3.980 6.525
222 HB2 PRO 537 2HB PRO 537 9.144 -2.217 6.195
223 HB3 PRO 537 1HB PRO 537 9.907 -2.610 7.736
224 HG2 PRO 537 2HG PRO 537 10.347 -0.265 5.943
225 HG3 PRO 537 1HG PRO 537 10.287 -0.329 7.715
226 HD2 PRO 537 2HD PRO 537 12.613 -0.147 6.406
227 HD3 PRO 537 1HD PRO 537 12.458 -1.125 7.880
228 H ALA 538 H ALA 538 8.833 -3.720 5.163
229 HA ALA 538 HA ALA 538 9.282 -4.901 2.751
230 HB1 ALA 538 1HB ALA 538 7.077 -4.923 3.563
231 HB2 ALA 538 2HB ALA 538 7.012 -3.992 2.066
232 HB3 ALA 538 3HB ALA 538 6.993 -3.162 3.624
233 H ALA 539 H ALA 539 8.810 -1.414 3.283
234 HA ALA 539 HA ALA 539 9.582 0.404 2.105
235 HB1 ALA 539 1HB ALA 539 11.416 0.210 0.661
236 HB2 ALA 539 2HB ALA 539 11.020 -1.465 0.258
237 HB3 ALA 539 3HB ALA 539 11.645 -1.065 1.861
238 H GLU 540 H GLU 540 8.877 -2.327 0.018
239 HA GLU 540 HA GLU 540 8.201 -1.333 -2.349
240 HB2 GLU 540 2HB GLU 540 7.384 -3.574 -0.727
241 HB3 GLU 540 1HB GLU 540 6.082 -3.073 -1.800
242 HG2 GLU 540 2HG GLU 540 7.691 -3.218 -3.693
243 HG3 GLU 540 1HG GLU 540 8.877 -3.887 -2.570
244 H GLY 541 H GLY 541 6.356 -0.792 0.583
245 HA2 GLY 541 2HA GLY 541 4.541 0.931 -0.987
246 HA3 GLY 541 1HA GLY 541 3.948 -0.084 0.319
247 H ILE 542 H ILE 542 5.958 0.314 2.183
248 HA ILE 542 HA ILE 542 5.158 2.815 3.290
249 HB ILE 542 HB ILE 542 6.781 2.237 5.127
250 HG12 ILE 542 2HG1 ILE 542 7.283 -0.381 4.943
251 HG13 ILE 542 1HG1 ILE 542 7.326 0.006 3.228
252 HG21 ILE 542 1HG2 ILE 542 5.382 -0.001 5.596
253 HG22 ILE 542 2HG2 ILE 542 4.407 0.693 4.301
254 HG23 ILE 542 3HG2 ILE 542 4.708 1.619 5.771
255 HD11 ILE 542 3HD1 ILE 542 8.990 1.795 3.782
256 HD12 ILE 542 1HD1 ILE 542 9.539 0.138 4.023
257 HD13 ILE 542 2HD1 ILE 542 9.056 1.119 5.408
258 H TYR 543 H TYR 543 7.927 1.789 1.430
259 HA TYR 543 HA TYR 543 9.183 4.403 1.978
260 HB2 TYR 543 2HB TYR 543 10.394 2.077 2.445
261 HB3 TYR 543 1HB TYR 543 10.774 2.215 0.733
262 HD1 TYR 543 1HD TYR 543 11.164 3.844 4.025
263 HD2 TYR 543 2HD TYR 543 12.422 3.748 -0.039
264 HE1 TYR 543 1HE TYR 543 13.029 5.350 4.573
265 HE2 TYR 543 2HE TYR 543 14.291 5.253 0.498
266 HH TYR 543 HH TYR 543 14.484 7.008 3.335
267 H ALA 544 H ALA 544 7.476 2.663 -0.274
268 HA ALA 544 HA ALA 544 8.688 3.977 -2.600
269 HB1 ALA 544 1HB ALA 544 6.475 2.433 -3.381
270 HB2 ALA 544 2HB ALA 544 7.312 1.499 -2.142
271 HB3 ALA 544 3HB ALA 544 8.184 2.040 -3.577
272 H GLU 545 H GLU 545 5.840 3.846 -0.591
273 HA GLU 545 HA GLU 545 4.665 6.081 -2.117
274 HB2 GLU 545 2HB GLU 545 3.270 4.126 -2.292
275 HB3 GLU 545 1HB GLU 545 3.335 3.867 -0.552
276 HG2 GLU 545 2HG GLU 545 1.213 4.802 -1.061
277 HG3 GLU 545 1HG GLU 545 2.168 6.053 -0.261
278 H GLY 546 H GLY 546 5.444 4.778 1.034
279 HA2 GLY 546 2HA GLY 546 5.298 5.658 3.159
280 HA3 GLY 546 1HA GLY 546 6.048 7.032 2.369
281 H LEU 547 H LEU 547 2.697 5.802 2.033
282 HA LEU 547 HA LEU 547 1.547 7.690 3.741
283 HB2 LEU 547 2HB LEU 547 1.581 9.586 2.609
284 HB3 LEU 547 1HB LEU 547 2.456 8.796 1.317
285 HG LEU 547 HG LEU 547 -0.468 8.411 1.225
286 HD11 LEU 547 1HD1 LEU 547 -0.082 10.796 2.066
287 HD12 LEU 547 2HD1 LEU 547 -1.078 10.576 0.626
288 HD13 LEU 547 3HD1 LEU 547 0.599 11.103 0.467
289 HD21 LEU 547 3HD2 LEU 547 -0.071 8.208 -0.980
290 HD22 LEU 547 1HD2 LEU 547 1.605 8.009 -0.470
291 HD23 LEU 547 2HD2 LEU 547 1.030 9.585 -1.012
292 H MET 548 H MET 548 0.759 6.438 0.493
293 HA MET 548 HA MET 548 -1.876 5.675 1.446
294 HB2 MET 548 2HB MET 548 -0.601 6.047 -1.197
295 HB3 MET 548 1HB MET 548 -1.824 4.786 -1.110
296 HG2 MET 548 2HG MET 548 -3.516 6.260 -0.854
297 HG3 MET 548 1HG MET 548 -2.545 7.380 0.097
298 HE1 MET 548 3HE MET 548 -4.672 7.264 -2.227
299 HE2 MET 548 1HE MET 548 -4.029 7.350 -3.867
300 HE3 MET 548 2HE MET 548 -4.369 8.832 -2.974
301 H HIS 549 H HIS 549 0.901 4.281 1.956
302 HA HIS 549 HA HIS 549 0.647 1.692 0.868
303 HB2 HIS 549 2HB HIS 549 2.340 1.031 2.497
304 HB3 HIS 549 1HB HIS 549 2.769 2.579 1.777
305 HD1 HIS 549 1HD HIS 549 2.538 0.954 4.956
306 HD2 HIS 549 2HD HIS 549 1.920 4.826 3.578
307 HE1 HIS 549 1HE HIS 549 2.654 2.421 6.996
308 HE2 HIS 549 2HE HIS 549 2.194 4.749 6.148
309 H ASN 550 H ASN 550 -1.161 3.281 3.201
310 HA ASN 550 HA ASN 550 -1.889 0.833 4.599
311 HB2 ASN 550 2HB ASN 550 -2.176 3.747 5.114
312 HB3 ASN 550 1HB ASN 550 -3.433 2.698 5.768
313 HD21 ASN 550 1HD2 ASN 550 0.005 2.027 5.355
314 HD22 ASN 550 2HD2 ASN 550 0.346 1.803 7.034
315 H GLN 551 H GLN 551 -2.862 2.510 1.896
316 HA GLN 551 HA GLN 551 -5.689 2.295 2.124
317 HB2 GLN 551 2HB GLN 551 -4.251 2.367 -0.506
318 HB3 GLN 551 1HB GLN 551 -5.795 3.084 -0.072
319 HG2 GLN 551 2HG GLN 551 -3.358 4.081 1.299
320 HG3 GLN 551 1HG GLN 551 -3.617 4.524 -0.382
321 HE21 GLN 551 1HE2 GLN 551 -4.102 5.492 2.693
322 HE22 GLN 551 2HE2 GLN 551 -5.463 6.533 2.470
323 H ASP 552 H ASP 552 -4.991 -0.124 2.937
324 HA ASP 552 HA ASP 552 -5.464 -1.897 0.636
325 HB2 ASP 552 2HB ASP 552 -3.324 -2.128 2.125
326 HB3 ASP 552 1HB ASP 552 -4.425 -2.893 3.265
327 H GLY 553 H GLY 553 -7.366 -0.364 2.433
328 HA2 GLY 553 2HA GLY 553 -9.657 -1.265 2.616
329 HA3 GLY 553 1HA GLY 553 -8.937 -2.702 3.333
330 H LEU 554 H LEU 554 -7.000 -1.150 4.869
331 HA LEU 554 HA LEU 554 -8.379 -0.859 7.284
332 HB2 LEU 554 2HB LEU 554 -5.846 0.597 6.541
333 HB3 LEU 554 1HB LEU 554 -6.372 0.126 8.146
334 HG LEU 554 HG LEU 554 -5.759 -1.934 6.049
335 HD11 LEU 554 1HD1 LEU 554 -3.799 -0.765 8.015
336 HD12 LEU 554 2HD1 LEU 554 -3.805 -0.447 6.280
337 HD13 LEU 554 3HD1 LEU 554 -3.500 -2.078 6.877
338 HD21 LEU 554 3HD2 LEU 554 -5.649 -2.019 9.061
339 HD22 LEU 554 1HD2 LEU 554 -5.429 -3.374 7.954
340 HD23 LEU 554 2HD2 LEU 554 -7.003 -2.589 8.085
341 H ILE 555 H ILE 555 -7.131 1.596 5.070
342 HA ILE 555 HA ILE 555 -8.653 3.690 6.373
343 HB ILE 555 HB ILE 555 -6.774 3.750 4.013
344 HG12 ILE 555 2HG1 ILE 555 -5.413 3.245 5.832
345 HG13 ILE 555 1HG1 ILE 555 -5.339 5.002 5.779
346 HG21 ILE 555 1HG2 ILE 555 -7.286 5.885 3.675
347 HG22 ILE 555 2HG2 ILE 555 -7.129 6.260 5.392
348 HG23 ILE 555 3HG2 ILE 555 -8.657 5.652 4.758
349 HD11 ILE 555 3HD1 ILE 555 -5.629 4.553 8.025
350 HD12 ILE 555 1HD1 ILE 555 -6.754 3.228 7.720
351 HD13 ILE 555 2HD1 ILE 555 -7.273 4.897 7.485
352 H CYS 556 H CYS 556 -10.454 2.013 5.513
353 HA CYS 556 HA CYS 556 -11.284 2.184 2.831
354 HB2 CYS 556 2HB CYS 556 -12.318 1.096 5.331
355 HB3 CYS 556 1HB CYS 556 -13.595 1.719 4.293
356 H GLY 557 H GLY 557 -11.304 4.572 5.210
357 HA2 GLY 557 2HA GLY 557 -13.721 5.897 4.844
358 HA3 GLY 557 1HA GLY 557 -12.217 6.667 5.309
359 H LEU 558 H LEU 558 -11.544 5.311 2.413
360 HA LEU 558 HA LEU 558 -11.694 7.818 1.033
361 HB2 LEU 558 2HB LEU 558 -10.651 6.529 -0.823
362 HB3 LEU 558 1HB LEU 558 -9.769 6.447 0.693
363 HG LEU 558 HG LEU 558 -11.002 4.229 1.087
364 HD11 LEU 558 1HD1 LEU 558 -12.700 4.184 -0.477
365 HD12 LEU 558 2HD1 LEU 558 -11.481 3.132 -1.198
366 HD13 LEU 558 3HD1 LEU 558 -11.667 4.788 -1.773
367 HD21 LEU 558 3HD2 LEU 558 -8.825 4.719 -0.904
368 HD22 LEU 558 1HD2 LEU 558 -9.404 3.079 -0.609
369 HD23 LEU 558 2HD2 LEU 558 -8.729 4.028 0.715
370 H ARG 559 H ARG 559 -14.271 6.460 1.709
371 HA ARG 559 HA ARG 559 -15.449 5.328 -0.577
372 HB2 ARG 559 2HB ARG 559 -16.696 6.831 1.737
373 HB3 ARG 559 1HB ARG 559 -17.601 5.915 0.546
374 HG2 ARG 559 2HG ARG 559 -17.455 4.332 2.150
375 HG3 ARG 559 1HG ARG 559 -15.941 3.995 1.310
376 HD2 ARG 559 2HD ARG 559 -15.566 4.059 3.694
377 HD3 ARG 559 1HD ARG 559 -14.753 5.418 2.924
378 HE ARG 559 HE ARG 559 -17.015 6.581 3.644
379 HH11 ARG 559 1HH1 ARG 559 -15.000 4.380 5.460
380 HH12 ARG 559 2HH1 ARG 559 -15.453 5.039 6.995
381 HH21 ARG 559 1HH2 ARG 559 -17.605 7.447 5.664
382 HH22 ARG 559 2HH2 ARG 559 -16.928 6.778 7.112
383 H GLN 560 H GLN 560 -17.806 6.916 -0.916
384 HA GLN 560 HA GLN 560 -18.617 8.567 -2.248
385 HB2 GLN 560 2HB GLN 560 -16.234 10.175 -1.326
386 HB3 GLN 560 1HB GLN 560 -17.760 10.795 -1.941
387 HG2 GLN 560 2HG GLN 560 -18.680 10.747 0.072
388 HG3 GLN 560 1HG GLN 560 -18.191 9.073 0.326
389 HE21 GLN 560 1HE2 GLN 560 -17.065 8.843 2.106
390 HE22 GLN 560 2HE2 GLN 560 -15.909 9.960 2.739
Start of MODEL 16
1 H1 ALA 507 1HT ALA 507 -19.128 4.535 -0.394
2 H2 ALA 507 2HT ALA 507 -20.333 4.248 -1.582
3 H3 ALA 507 3HT ALA 507 -19.619 5.802 -1.439
4 HA ALA 507 HA ALA 507 -18.748 4.650 -3.311
5 HB1 ALA 507 2HB ALA 507 -16.341 4.725 -2.661
6 HB2 ALA 507 3HB ALA 507 -16.861 5.003 -1.000
7 HB3 ALA 507 1HB ALA 507 -17.260 6.177 -2.255
8 H GLN 508 H GLN 508 -17.446 2.931 -4.138
9 HA GLN 508 HA GLN 508 -17.398 0.534 -2.445
10 HB2 GLN 508 2HB GLN 508 -18.119 0.524 -5.380
11 HB3 GLN 508 1HB GLN 508 -18.133 -0.849 -4.284
12 HG2 GLN 508 2HG GLN 508 -19.993 0.032 -3.082
13 HG3 GLN 508 1HG GLN 508 -19.900 1.561 -3.956
14 HE21 GLN 508 1HE2 GLN 508 -21.372 1.783 -5.467
15 HE22 GLN 508 2HE2 GLN 508 -22.089 0.513 -6.394
16 HA PRO 509 HA PRO 509 -13.213 1.350 -4.261
17 HB2 PRO 509 2HB PRO 509 -12.315 0.481 -1.603
18 HB3 PRO 509 1HB PRO 509 -11.950 1.972 -2.474
19 HG2 PRO 509 2HG PRO 509 -13.534 1.941 -0.298
20 HG3 PRO 509 1HG PRO 509 -13.795 3.070 -1.640
21 HD2 PRO 509 2HD PRO 509 -15.228 0.516 -1.005
22 HD3 PRO 509 1HD PRO 509 -15.887 2.069 -1.563
23 H LYS 510 H LYS 510 -13.528 -1.093 -1.712
24 HA LYS 510 HA LYS 510 -13.657 -3.367 -3.253
25 HB2 LYS 510 2HB LYS 510 -11.383 -4.203 -3.297
26 HB3 LYS 510 1HB LYS 510 -11.471 -2.667 -4.142
27 HG2 LYS 510 2HG LYS 510 -10.846 -2.203 -1.392
28 HG3 LYS 510 1HG LYS 510 -9.737 -3.401 -2.061
29 HD2 LYS 510 2HD LYS 510 -8.689 -1.875 -3.320
30 HD3 LYS 510 1HD LYS 510 -10.207 -1.158 -3.862
31 HE2 LYS 510 2HE LYS 510 -10.281 -0.172 -1.453
32 HE3 LYS 510 1HE LYS 510 -8.550 -0.509 -1.459
33 HZ1 LYS 510 3HZ LYS 510 -10.076 1.374 -3.134
34 HZ2 LYS 510 1HZ LYS 510 -8.600 0.757 -3.687
35 HZ3 LYS 510 2HZ LYS 510 -8.662 1.641 -2.245
36 H CYS 511 H CYS 511 -12.465 -1.828 -0.414
37 HA CYS 511 HA CYS 511 -12.224 -2.490 1.764
38 HB2 CYS 511 2HB CYS 511 -14.891 -2.850 0.843
39 HB3 CYS 511 1HB CYS 511 -14.542 -4.137 1.993
40 H ASN 512 H ASN 512 -10.537 -4.002 0.412
41 HA ASN 512 HA ASN 512 -10.994 -6.759 1.335
42 HB2 ASN 512 2HB ASN 512 -9.710 -5.620 -1.068
43 HB3 ASN 512 1HB ASN 512 -8.841 -6.957 -0.322
44 HD21 ASN 512 1HD2 ASN 512 -10.372 -6.677 -2.870
45 HD22 ASN 512 2HD2 ASN 512 -11.496 -7.991 -2.853
46 HA PRO 513 HA PRO 513 -7.676 -5.145 4.087
47 HB2 PRO 513 2HB PRO 513 -8.629 -6.152 6.381
48 HB3 PRO 513 1HB PRO 513 -9.280 -4.667 5.677
49 HG2 PRO 513 2HG PRO 513 -10.380 -7.448 5.591
50 HG3 PRO 513 1HG PRO 513 -11.233 -5.913 5.839
51 HD2 PRO 513 2HD PRO 513 -11.118 -7.246 3.436
52 HD3 PRO 513 1HD PRO 513 -11.380 -5.497 3.594
53 H ASN 514 H ASN 514 -7.976 -7.813 2.533
54 HA ASN 514 HA ASN 514 -6.594 -9.609 4.375
55 HB2 ASN 514 2HB ASN 514 -8.410 -10.626 3.167
56 HB3 ASN 514 1HB ASN 514 -7.791 -10.033 1.631
57 HD21 ASN 514 1HD2 ASN 514 -7.102 -12.195 4.321
58 HD22 ASN 514 2HD2 ASN 514 -6.142 -13.313 3.417
59 H LEU 515 H LEU 515 -6.057 -7.626 1.569
60 HA LEU 515 HA LEU 515 -3.414 -8.773 1.111
61 HB2 LEU 515 2HB LEU 515 -4.926 -6.594 -0.332
62 HB3 LEU 515 1HB LEU 515 -3.335 -7.172 -0.793
63 HG LEU 515 HG LEU 515 -5.278 -9.335 -0.580
64 HD11 LEU 515 1HD1 LEU 515 -6.179 -8.462 -2.941
65 HD12 LEU 515 2HD1 LEU 515 -5.971 -6.914 -2.124
66 HD13 LEU 515 3HD1 LEU 515 -7.011 -8.151 -1.418
67 HD21 LEU 515 3HD2 LEU 515 -3.125 -8.397 -2.375
68 HD22 LEU 515 1HD2 LEU 515 -4.383 -9.399 -3.100
69 HD23 LEU 515 2HD2 LEU 515 -3.450 -10.007 -1.731
70 H HIS 516 H HIS 516 -2.784 -8.032 3.315
71 HA HIS 516 HA HIS 516 -2.489 -5.252 3.851
72 HB2 HIS 516 2HB HIS 516 -2.558 -7.304 5.479
73 HB3 HIS 516 1HB HIS 516 -0.819 -7.332 5.207
74 HD1 HIS 516 1HD HIS 516 -3.312 -5.850 7.330
75 HD2 HIS 516 2HD HIS 516 0.398 -4.690 5.861
76 HE1 HIS 516 1HE HIS 516 -2.553 -3.976 8.826
77 HE2 HIS 516 2HE HIS 516 -0.338 -3.243 7.874
78 H TYR 517 H TYR 517 -0.814 -7.252 1.755
79 HA TYR 517 HA TYR 517 1.796 -6.079 2.154
80 HB2 TYR 517 2HB TYR 517 0.760 -7.900 -0.028
81 HB3 TYR 517 1HB TYR 517 2.443 -7.432 0.190
82 HD1 TYR 517 1HD TYR 517 3.149 -7.788 2.852
83 HD2 TYR 517 2HD TYR 517 0.321 -10.057 0.627
84 HE1 TYR 517 1HE TYR 517 3.485 -9.689 4.375
85 HE2 TYR 517 2HE TYR 517 0.648 -11.965 2.144
86 HH TYR 517 HH TYR 517 1.569 -12.025 4.854
87 H TRP 518 H TRP 518 -0.306 -6.253 -0.725
88 HA TRP 518 HA TRP 518 0.981 -4.071 -2.004
89 HB2 TRP 518 2HB TRP 518 -1.275 -5.873 -2.572
90 HB3 TRP 518 1HB TRP 518 -1.414 -4.276 -3.299
91 HD1 TRP 518 HD TRP 518 -1.080 -5.319 -5.744
92 HE1 TRP 518 1HE TRP 518 1.025 -6.101 -7.001
93 HE3 TRP 518 3HE TRP 518 2.154 -5.659 -1.793
94 HZ2 TRP 518 2HZ TRP 518 3.698 -6.772 -6.401
95 HZ3 TRP 518 3HZ TRP 518 4.467 -6.379 -2.224
96 HH2 TRP 518 HH TRP 518 5.221 -6.923 -4.481
97 H THR 519 H THR 519 -1.494 -4.227 0.362
98 HA THR 519 HA THR 519 -2.765 -2.656 1.383
99 HB THR 519 HB THR 519 -1.831 -0.547 1.744
100 HG1 THR 519 1HG THR 519 -1.041 0.686 0.204
101 HG21 THR 519 3HG2 THR 519 -0.138 -2.087 2.389
102 HG22 THR 519 1HG2 THR 519 0.639 -0.718 1.597
103 HG23 THR 519 2HG2 THR 519 0.441 -2.239 0.730
104 H THR 520 H THR 520 -1.999 -0.742 -1.536
105 HA THR 520 HA THR 520 -4.194 -1.339 -3.086
106 HB THR 520 HB THR 520 -4.826 0.514 -0.847
107 HG1 THR 520 1HG THR 520 -6.648 -0.604 -0.859
108 HG21 THR 520 3HG2 THR 520 -5.018 2.124 -2.575
109 HG22 THR 520 1HG2 THR 520 -6.646 1.568 -2.184
110 HG23 THR 520 2HG2 THR 520 -5.836 0.977 -3.635
111 H GLN 521 H GLN 521 -2.895 1.713 -1.799
112 HA GLN 521 HA GLN 521 -2.488 2.802 -4.414
113 HB2 GLN 521 2HB GLN 521 -2.954 4.044 -2.180
114 HB3 GLN 521 1HB GLN 521 -1.232 3.846 -1.898
115 HG2 GLN 521 2HG GLN 521 -0.652 5.327 -3.514
116 HG3 GLN 521 1HG GLN 521 -2.077 4.982 -4.491
117 HE21 GLN 521 1HE2 GLN 521 -1.036 6.528 -1.493
118 HE22 GLN 521 2HE2 GLN 521 -2.262 7.746 -1.484
119 H ASP 522 H ASP 522 -0.853 0.699 -2.369
120 HA ASP 522 HA ASP 522 1.725 1.258 -3.541
121 HB2 ASP 522 2HB ASP 522 1.453 0.799 -1.067
122 HB3 ASP 522 1HB ASP 522 1.100 -0.870 -1.506
123 H GLU 523 H GLU 523 -0.958 -0.616 -4.160
124 HA GLU 523 HA GLU 523 -0.154 -3.092 -4.926
125 HB2 GLU 523 2HB GLU 523 -2.034 -3.174 -6.332
126 HB3 GLU 523 1HB GLU 523 -2.460 -1.997 -5.098
127 HG2 GLU 523 2HG GLU 523 -3.094 -0.747 -6.836
128 HG3 GLU 523 1HG GLU 523 -1.375 -0.383 -6.975
129 H GLY 524 H GLY 524 0.687 -0.080 -6.452
130 HA2 GLY 524 2HA GLY 524 2.921 -0.765 -7.732
131 HA3 GLY 524 1HA GLY 524 1.708 -1.392 -8.837
132 H ALA 525 H ALA 525 1.561 1.561 -6.889
133 HA ALA 525 HA ALA 525 1.086 3.043 -9.360
134 HB1 ALA 525 1HB ALA 525 -0.286 3.085 -7.042
135 HB2 ALA 525 2HB ALA 525 -0.266 4.417 -8.198
136 HB3 ALA 525 3HB ALA 525 0.801 4.452 -6.795
137 H ALA 526 H ALA 526 2.934 3.528 -6.341
138 HA ALA 526 HA ALA 526 4.987 4.887 -7.939
139 HB1 ALA 526 1HB ALA 526 4.575 5.961 -5.228
140 HB2 ALA 526 2HB ALA 526 3.306 6.326 -6.397
141 HB3 ALA 526 3HB ALA 526 4.974 6.796 -6.729
142 H ILE 527 H ILE 527 4.997 2.272 -7.195
143 HA ILE 527 HA ILE 527 6.699 2.053 -4.857
144 HB ILE 527 HB ILE 527 6.411 -0.400 -5.203
145 HG12 ILE 527 2HG1 ILE 527 4.617 -1.120 -6.761
146 HG13 ILE 527 1HG1 ILE 527 4.495 0.525 -7.377
147 HG21 ILE 527 1HG2 ILE 527 3.711 0.024 -4.985
148 HG22 ILE 527 2HG2 ILE 527 4.380 1.600 -4.568
149 HG23 ILE 527 3HG2 ILE 527 4.875 0.162 -3.668
150 HD11 ILE 527 3HD1 ILE 527 5.883 -1.333 -8.619
151 HD12 ILE 527 1HD1 ILE 527 7.138 -0.824 -7.489
152 HD13 ILE 527 2HD1 ILE 527 6.413 0.350 -8.588
153 H GLY 528 H GLY 528 7.226 2.673 -8.034
154 HA2 GLY 528 2HA GLY 528 9.199 0.861 -8.822
155 HA3 GLY 528 1HA GLY 528 9.039 2.502 -9.416
156 H LEU 529 H LEU 529 9.431 3.200 -6.331
157 HA LEU 529 HA LEU 529 12.341 3.320 -6.628
158 HB2 LEU 529 2HB LEU 529 11.876 4.876 -4.463
159 HB3 LEU 529 1HB LEU 529 11.951 5.456 -6.111
160 HG LEU 529 HG LEU 529 10.058 6.388 -4.854
161 HD11 LEU 529 1HD1 LEU 529 10.014 5.283 -7.428
162 HD12 LEU 529 2HD1 LEU 529 9.000 6.574 -6.784
163 HD13 LEU 529 3HD1 LEU 529 8.453 4.900 -6.700
164 HD21 LEU 529 3HD2 LEU 529 9.783 3.881 -3.797
165 HD22 LEU 529 1HD2 LEU 529 8.436 3.966 -4.930
166 HD23 LEU 529 2HD2 LEU 529 8.605 5.185 -3.668
167 H ALA 530 H ALA 530 9.866 2.030 -4.541
168 HA ALA 530 HA ALA 530 11.909 1.087 -2.653
169 HB1 ALA 530 1HB ALA 530 10.366 1.161 -1.024
170 HB2 ALA 530 2HB ALA 530 9.075 0.581 -2.078
171 HB3 ALA 530 3HB ALA 530 9.566 2.275 -2.131
172 H TRP 531 H TRP 531 10.523 -0.044 -5.389
173 HA TRP 531 HA TRP 531 9.695 -2.633 -4.577
174 HB2 TRP 531 2HB TRP 531 9.472 -3.124 -6.892
175 HB3 TRP 531 1HB TRP 531 8.988 -1.447 -6.663
176 HD1 TRP 531 HD TRP 531 12.185 -0.471 -6.576
177 HE1 TRP 531 1HE TRP 531 13.360 -0.205 -8.851
178 HE3 TRP 531 3HE TRP 531 9.070 -3.341 -9.438
179 HZ2 TRP 531 2HZ TRP 531 13.011 -1.096 -11.507
180 HZ3 TRP 531 3HZ TRP 531 9.560 -3.582 -11.837
181 HH2 TRP 531 HH TRP 531 11.490 -2.482 -12.849
182 H ILE 532 H ILE 532 12.357 -1.902 -3.620
183 HA ILE 532 HA ILE 532 13.662 -4.368 -4.258
184 HB ILE 532 HB ILE 532 15.823 -3.329 -4.897
185 HG12 ILE 532 2HG1 ILE 532 14.743 -0.825 -5.863
186 HG13 ILE 532 1HG1 ILE 532 14.541 -0.954 -4.118
187 HG21 ILE 532 1HG2 ILE 532 13.595 -2.611 -6.793
188 HG22 ILE 532 2HG2 ILE 532 14.238 -4.238 -6.572
189 HG23 ILE 532 3HG2 ILE 532 15.274 -2.959 -7.205
190 HD11 ILE 532 3HD1 ILE 532 17.058 -1.692 -4.215
191 HD12 ILE 532 1HD1 ILE 532 16.598 0.010 -4.229
192 HD13 ILE 532 2HD1 ILE 532 17.022 -0.801 -5.737
193 HA PRO 533 HA PRO 533 13.807 -2.804 0.181
194 HB2 PRO 533 2HB PRO 533 14.217 -5.537 0.874
195 HB3 PRO 533 1HB PRO 533 12.758 -4.575 1.101
196 HG2 PRO 533 2HG PRO 533 13.444 -6.487 -1.056
197 HG3 PRO 533 1HG PRO 533 11.857 -6.050 -0.397
198 HD2 PRO 533 2HD PRO 533 12.650 -5.192 -2.806
199 HD3 PRO 533 1HD PRO 533 11.689 -4.152 -1.730
200 H TYR 534 H TYR 534 15.859 -1.830 -0.396
201 HA TYR 534 HA TYR 534 18.200 -3.572 -0.223
202 HB2 TYR 534 2HB TYR 534 17.927 -1.762 -2.009
203 HB3 TYR 534 1HB TYR 534 18.215 -0.599 -0.720
204 HD1 TYR 534 2HD TYR 534 20.397 -0.985 0.677
205 HD2 TYR 534 1HD TYR 534 19.729 -2.594 -3.203
206 HE1 TYR 534 2HE TYR 534 22.824 -1.242 0.372
207 HE2 TYR 534 1HE TYR 534 22.153 -2.855 -3.520
208 HH TYR 534 HH TYR 534 24.314 -2.922 -1.210
209 H PHE 535 H PHE 535 16.682 -0.841 1.421
210 HA PHE 535 HA PHE 535 18.679 -0.259 3.269
211 HB2 PHE 535 2HB PHE 535 16.478 0.985 2.778
212 HB3 PHE 535 1HB PHE 535 15.753 -0.110 3.950
213 HD1 PHE 535 2HD PHE 535 18.102 2.657 3.469
214 HD2 PHE 535 1HD PHE 535 16.234 0.083 6.297
215 HE1 PHE 535 2HE PHE 535 18.836 4.135 5.293
216 HE2 PHE 535 1HE PHE 535 16.963 1.558 8.127
217 HZ PHE 535 HZ PHE 535 18.267 3.587 7.626
218 H GLY 536 H GLY 536 16.220 -2.775 3.326
219 HA2 GLY 536 2HA GLY 536 17.346 -4.708 4.714
220 HA3 GLY 536 1HA GLY 536 17.040 -3.574 6.020
221 HA PRO 537 HA PRO 537 12.803 -4.851 6.170
222 HB2 PRO 537 2HB PRO 537 11.446 -2.379 5.690
223 HB3 PRO 537 1HB PRO 537 11.844 -3.110 7.244
224 HG2 PRO 537 2HG PRO 537 12.940 -0.767 6.230
225 HG3 PRO 537 1HG PRO 537 13.619 -1.737 7.547
226 HD2 PRO 537 2HD PRO 537 14.419 -1.596 4.686
227 HD3 PRO 537 1HD PRO 537 15.412 -1.897 6.126
228 H ALA 538 H ALA 538 10.470 -4.462 5.042
229 HA ALA 538 HA ALA 538 10.685 -5.505 2.463
230 HB1 ALA 538 1HB ALA 538 8.396 -4.162 3.875
231 HB2 ALA 538 2HB ALA 538 8.659 -5.886 3.604
232 HB3 ALA 538 3HB ALA 538 8.249 -4.831 2.248
233 H ALA 539 H ALA 539 9.861 -2.196 3.482
234 HA ALA 539 HA ALA 539 10.199 -0.173 2.461
235 HB1 ALA 539 1HB ALA 539 11.633 -1.610 0.254
236 HB2 ALA 539 2HB ALA 539 12.400 -1.216 1.797
237 HB3 ALA 539 3HB ALA 539 11.798 0.075 0.755
238 H GLU 540 H GLU 540 9.651 -2.725 0.094
239 HA GLU 540 HA GLU 540 8.498 -1.574 -2.000
240 HB2 GLU 540 2HB GLU 540 8.221 -4.117 -0.609
241 HB3 GLU 540 1HB GLU 540 6.825 -3.725 -1.608
242 HG2 GLU 540 2HG GLU 540 8.435 -3.327 -3.494
243 HG3 GLU 540 1HG GLU 540 9.696 -4.006 -2.462
244 H GLY 541 H GLY 541 7.062 -1.627 1.184
245 HA2 GLY 541 2HA GLY 541 4.573 -0.530 0.049
246 HA3 GLY 541 1HA GLY 541 4.683 -1.344 1.597
247 H ILE 542 H ILE 542 6.525 -0.175 3.003
248 HA ILE 542 HA ILE 542 5.432 2.403 3.557
249 HB ILE 542 HB ILE 542 6.751 2.451 5.502
250 HG12 ILE 542 2HG1 ILE 542 8.911 1.799 4.431
251 HG13 ILE 542 1HG1 ILE 542 8.621 1.012 5.976
252 HG21 ILE 542 1HG2 ILE 542 5.706 -0.263 4.813
253 HG22 ILE 542 2HG2 ILE 542 5.002 0.970 5.856
254 HG23 ILE 542 3HG2 ILE 542 6.413 0.061 6.395
255 HD11 ILE 542 3HD1 ILE 542 8.441 -0.170 3.230
256 HD12 ILE 542 1HD1 ILE 542 7.772 -0.965 4.655
257 HD13 ILE 542 2HD1 ILE 542 9.502 -0.631 4.561
258 H TYR 543 H TYR 543 8.222 1.349 1.781
259 HA TYR 543 HA TYR 543 9.344 4.062 1.888
260 HB2 TYR 543 2HB TYR 543 10.477 1.378 1.318
261 HB3 TYR 543 1HB TYR 543 11.169 2.734 0.441
262 HD1 TYR 543 2HD TYR 543 10.683 1.232 3.758
263 HD2 TYR 543 1HD TYR 543 12.482 4.409 1.575
264 HE1 TYR 543 2HE TYR 543 12.072 1.780 5.712
265 HE2 TYR 543 1HE TYR 543 13.877 4.966 3.522
266 HH TYR 543 HH TYR 543 13.283 4.056 6.531
267 H ALA 544 H ALA 544 7.386 2.106 0.042
268 HA ALA 544 HA ALA 544 8.024 3.426 -2.493
269 HB1 ALA 544 1HB ALA 544 7.604 1.396 -3.296
270 HB2 ALA 544 2HB ALA 544 5.920 1.584 -2.803
271 HB3 ALA 544 3HB ALA 544 7.085 0.843 -1.704
272 H GLU 545 H GLU 545 5.643 3.176 0.036
273 HA GLU 545 HA GLU 545 3.947 5.115 -1.410
274 HB2 GLU 545 2HB GLU 545 2.758 3.045 -1.155
275 HB3 GLU 545 1HB GLU 545 3.193 2.946 0.547
276 HG2 GLU 545 2HG GLU 545 0.861 3.634 0.189
277 HG3 GLU 545 1HG GLU 545 1.811 4.837 1.066
278 H GLY 546 H GLY 546 5.432 4.235 1.618
279 HA2 GLY 546 2HA GLY 546 5.537 5.290 3.667
280 HA3 GLY 546 1HA GLY 546 6.086 6.599 2.640
281 H LEU 547 H LEU 547 2.764 5.288 2.893
282 HA LEU 547 HA LEU 547 1.822 7.231 4.658
283 HB2 LEU 547 2HB LEU 547 1.695 9.085 3.466
284 HB3 LEU 547 1HB LEU 547 2.405 8.249 2.102
285 HG LEU 547 HG LEU 547 -0.507 7.864 2.397
286 HD11 LEU 547 1HD1 LEU 547 0.581 10.550 1.582
287 HD12 LEU 547 2HD1 LEU 547 -0.234 10.216 3.110
288 HD13 LEU 547 3HD1 LEU 547 -1.108 10.043 1.588
289 HD21 LEU 547 3HD2 LEU 547 1.376 7.436 0.469
290 HD22 LEU 547 1HD2 LEU 547 0.641 8.946 -0.067
291 HD23 LEU 547 2HD2 LEU 547 -0.363 7.519 0.185
292 H MET 548 H MET 548 0.595 5.869 1.579
293 HA MET 548 HA MET 548 -1.822 5.042 3.002
294 HB2 MET 548 2HB MET 548 -1.187 5.750 0.251
295 HB3 MET 548 1HB MET 548 -2.107 4.255 0.353
296 HG2 MET 548 2HG MET 548 -3.794 5.775 0.212
297 HG3 MET 548 1HG MET 548 -3.619 5.663 1.962
298 HE1 MET 548 3HE MET 548 -4.154 7.499 3.100
299 HE2 MET 548 1HE MET 548 -5.038 8.350 1.834
300 HE3 MET 548 2HE MET 548 -3.800 9.194 2.765
301 H HIS 549 H HIS 549 1.036 3.747 2.857
302 HA HIS 549 HA HIS 549 0.726 1.210 1.697
303 HB2 HIS 549 2HB HIS 549 2.640 0.554 3.137
304 HB3 HIS 549 1HB HIS 549 2.923 2.060 2.272
305 HD1 HIS 549 1HD HIS 549 1.642 1.029 5.710
306 HD2 HIS 549 2HD HIS 549 3.907 3.992 3.877
307 HE1 HIS 549 1HE HIS 549 2.454 2.507 7.576
308 HE2 HIS 549 2HE HIS 549 3.744 4.345 6.434
309 H ASN 550 H ASN 550 -0.799 2.544 4.394
310 HA ASN 550 HA ASN 550 -1.103 -0.012 5.732
311 HB2 ASN 550 2HB ASN 550 -1.384 2.814 6.484
312 HB3 ASN 550 1HB ASN 550 -2.602 1.752 7.188
313 HD21 ASN 550 1HD2 ASN 550 -2.034 1.343 9.196
314 HD22 ASN 550 2HD2 ASN 550 -0.459 0.878 9.733
315 H GLN 551 H GLN 551 -3.026 2.280 3.906
316 HA GLN 551 HA GLN 551 -5.547 1.164 4.543
317 HB2 GLN 551 2HB GLN 551 -6.294 2.295 2.402
318 HB3 GLN 551 1HB GLN 551 -5.561 3.340 3.611
319 HG2 GLN 551 2HG GLN 551 -3.711 3.736 2.354
320 HG3 GLN 551 1HG GLN 551 -3.806 2.186 1.519
321 HE21 GLN 551 1HE2 GLN 551 -4.238 2.389 -0.546
322 HE22 GLN 551 2HE2 GLN 551 -5.236 3.597 -1.272
323 H ASP 552 H ASP 552 -4.770 -1.092 4.422
324 HA ASP 552 HA ASP 552 -4.604 -2.202 1.734
325 HB2 ASP 552 2HB ASP 552 -4.040 -4.317 2.905
326 HB3 ASP 552 1HB ASP 552 -2.956 -2.994 3.324
327 H GLY 553 H GLY 553 -7.129 -1.141 3.028
328 HA2 GLY 553 2HA GLY 553 -9.226 -2.114 2.065
329 HA3 GLY 553 1HA GLY 553 -8.728 -3.620 2.826
330 H LEU 554 H LEU 554 -7.715 -2.309 5.211
331 HA LEU 554 HA LEU 554 -9.990 -2.387 6.845
332 HB2 LEU 554 2HB LEU 554 -7.540 -0.793 7.523
333 HB3 LEU 554 1HB LEU 554 -8.583 -1.705 8.602
334 HG LEU 554 HG LEU 554 -7.476 -3.562 6.768
335 HD11 LEU 554 1HD1 LEU 554 -5.059 -3.259 7.316
336 HD12 LEU 554 2HD1 LEU 554 -5.454 -1.648 7.914
337 HD13 LEU 554 3HD1 LEU 554 -5.718 -2.047 6.218
338 HD21 LEU 554 3HD2 LEU 554 -8.035 -4.313 8.897
339 HD22 LEU 554 1HD2 LEU 554 -7.194 -2.984 9.694
340 HD23 LEU 554 2HD2 LEU 554 -6.273 -4.279 8.931
341 H ILE 555 H ILE 555 -8.013 0.392 5.930
342 HA ILE 555 HA ILE 555 -9.880 2.331 6.839
343 HB ILE 555 HB ILE 555 -7.478 2.537 5.045
344 HG12 ILE 555 2HG1 ILE 555 -6.486 1.993 7.019
345 HG13 ILE 555 1HG1 ILE 555 -6.683 3.716 7.314
346 HG21 ILE 555 1HG2 ILE 555 -9.473 4.464 5.507
347 HG22 ILE 555 2HG2 ILE 555 -7.931 4.671 4.675
348 HG23 ILE 555 3HG2 ILE 555 -8.046 4.978 6.409
349 HD11 ILE 555 3HD1 ILE 555 -8.752 3.241 8.552
350 HD12 ILE 555 1HD1 ILE 555 -7.341 2.450 9.255
351 HD13 ILE 555 2HD1 ILE 555 -8.489 1.516 8.294
352 H CYS 556 H CYS 556 -11.611 1.125 5.541
353 HA CYS 556 HA CYS 556 -11.764 1.469 2.733
354 HB2 CYS 556 2HB CYS 556 -13.168 0.018 4.591
355 HB3 CYS 556 1HB CYS 556 -14.331 1.262 4.144
356 H GLY 557 H GLY 557 -11.995 3.734 5.188
357 HA2 GLY 557 2HA GLY 557 -14.117 5.364 4.292
358 HA3 GLY 557 1HA GLY 557 -12.780 5.883 5.303
359 H LEU 558 H LEU 558 -11.322 4.649 2.642
360 HA LEU 558 HA LEU 558 -10.542 7.168 1.653
361 HB2 LEU 558 2HB LEU 558 -9.498 5.864 -0.190
362 HB3 LEU 558 1HB LEU 558 -9.065 5.305 1.415
363 HG LEU 558 HG LEU 558 -11.015 3.597 1.047
364 HD11 LEU 558 1HD1 LEU 558 -12.037 3.867 -0.920
365 HD12 LEU 558 2HD1 LEU 558 -10.609 3.100 -1.615
366 HD13 LEU 558 3HD1 LEU 558 -10.731 4.859 -1.568
367 HD21 LEU 558 3HD2 LEU 558 -9.407 2.050 0.713
368 HD22 LEU 558 1HD2 LEU 558 -8.333 3.423 0.982
369 HD23 LEU 558 2HD2 LEU 558 -8.711 2.909 -0.661
370 H ARG 559 H ARG 559 -13.073 4.935 0.717
371 HA ARG 559 HA ARG 559 -14.676 4.984 -0.917
372 HB2 ARG 559 2HB ARG 559 -14.887 7.892 -1.073
373 HB3 ARG 559 1HB ARG 559 -16.078 6.708 -0.572
374 HG2 ARG 559 2HG ARG 559 -13.884 7.805 1.170
375 HG3 ARG 559 1HG ARG 559 -15.568 8.327 1.186
376 HD2 ARG 559 2HD ARG 559 -14.728 5.481 1.673
377 HD3 ARG 559 1HD ARG 559 -14.908 6.663 2.967
378 HE ARG 559 HE ARG 559 -17.012 5.347 1.510
379 HH11 ARG 559 1HH1 ARG 559 -16.161 8.114 3.460
380 HH12 ARG 559 2HH1 ARG 559 -17.788 8.410 3.972
381 HH21 ARG 559 1HH2 ARG 559 -19.152 5.735 2.183
382 HH22 ARG 559 2HH2 ARG 559 -19.486 7.059 3.248
383 H GLN 560 H GLN 560 -15.375 6.597 -2.942
384 HA GLN 560 HA GLN 560 -14.899 7.065 -5.116
385 HB2 GLN 560 2HB GLN 560 -12.131 7.867 -4.267
386 HB3 GLN 560 1HB GLN 560 -13.135 8.556 -5.534
387 HG2 GLN 560 2HG GLN 560 -13.668 10.155 -4.099
388 HG3 GLN 560 1HG GLN 560 -14.605 8.949 -3.220
389 HE21 GLN 560 1HE2 GLN 560 -14.265 9.664 -1.177
390 HE22 GLN 560 2HE2 GLN 560 -12.715 9.714 -0.415
Start of MODEL 17
1 H1 ALA 507 1HT ALA 507 -19.702 6.456 -3.617
2 H2 ALA 507 2HT ALA 507 -19.497 5.672 -2.105
3 H3 ALA 507 3HT ALA 507 -20.223 4.836 -3.417
4 HA ALA 507 HA ALA 507 -18.051 5.320 -4.613
5 HB1 ALA 507 2HB ALA 507 -17.527 6.267 -1.927
6 HB2 ALA 507 3HB ALA 507 -16.589 6.482 -3.404
7 HB3 ALA 507 1HB ALA 507 -16.376 5.027 -2.428
8 H GLN 508 H GLN 508 -16.501 3.522 -4.649
9 HA GLN 508 HA GLN 508 -17.492 1.143 -3.234
10 HB2 GLN 508 2HB GLN 508 -18.020 1.454 -5.817
11 HB3 GLN 508 1HB GLN 508 -16.378 0.849 -5.985
12 HG2 GLN 508 2HG GLN 508 -17.278 -0.998 -4.322
13 HG3 GLN 508 1HG GLN 508 -18.823 -0.525 -5.027
14 HE21 GLN 508 1HE2 GLN 508 -18.259 -0.043 -7.594
15 HE22 GLN 508 2HE2 GLN 508 -17.654 -1.460 -8.374
16 HA PRO 509 HA PRO 509 -12.982 1.507 -2.477
17 HB2 PRO 509 2HB PRO 509 -13.537 0.509 0.179
18 HB3 PRO 509 1HB PRO 509 -12.925 2.092 -0.295
19 HG2 PRO 509 2HG PRO 509 -15.408 1.669 0.783
20 HG3 PRO 509 1HG PRO 509 -14.999 3.042 -0.259
21 HD2 PRO 509 2HD PRO 509 -16.434 0.509 -0.931
22 HD3 PRO 509 1HD PRO 509 -16.729 2.165 -1.509
23 H LYS 510 H LYS 510 -15.282 -1.045 -1.960
24 HA LYS 510 HA LYS 510 -15.138 -3.259 -2.473
25 HB2 LYS 510 2HB LYS 510 -13.443 -4.050 -3.733
26 HB3 LYS 510 1HB LYS 510 -12.936 -2.370 -3.781
27 HG2 LYS 510 2HG LYS 510 -11.683 -3.129 -1.542
28 HG3 LYS 510 1HG LYS 510 -11.741 -4.680 -2.381
29 HD2 LYS 510 2HD LYS 510 -9.877 -3.982 -3.412
30 HD3 LYS 510 1HD LYS 510 -10.955 -2.962 -4.367
31 HE2 LYS 510 2HE LYS 510 -10.296 -1.073 -3.332
32 HE3 LYS 510 1HE LYS 510 -10.169 -1.857 -1.759
33 HZ1 LYS 510 3HZ LYS 510 -7.996 -2.201 -2.039
34 HZ2 LYS 510 1HZ LYS 510 -8.082 -1.082 -3.305
35 HZ3 LYS 510 2HZ LYS 510 -8.173 -2.738 -3.632
36 H CYS 511 H CYS 511 -13.271 -1.725 -0.077
37 HA CYS 511 HA CYS 511 -12.436 -2.370 1.949
38 HB2 CYS 511 2HB CYS 511 -15.229 -3.056 1.719
39 HB3 CYS 511 1HB CYS 511 -14.421 -4.147 2.841
40 H ASN 512 H ASN 512 -10.686 -3.570 0.923
41 HA ASN 512 HA ASN 512 -10.897 -6.454 1.483
42 HB2 ASN 512 2HB ASN 512 -10.501 -5.380 -1.009
43 HB3 ASN 512 1HB ASN 512 -8.848 -5.669 -0.476
44 HD21 ASN 512 1HD2 ASN 512 -9.705 -7.033 -2.597
45 HD22 ASN 512 2HD2 ASN 512 -9.983 -8.691 -2.201
46 HA PRO 513 HA PRO 513 -7.501 -4.711 4.067
47 HB2 PRO 513 2HB PRO 513 -8.265 -5.757 6.408
48 HB3 PRO 513 1HB PRO 513 -9.025 -4.302 5.753
49 HG2 PRO 513 2HG PRO 513 -10.007 -7.126 5.734
50 HG3 PRO 513 1HG PRO 513 -10.908 -5.629 6.031
51 HD2 PRO 513 2HD PRO 513 -10.864 -6.974 3.623
52 HD3 PRO 513 1HD PRO 513 -11.230 -5.245 3.801
53 H ASN 514 H ASN 514 -7.761 -7.342 2.485
54 HA ASN 514 HA ASN 514 -6.249 -9.133 4.227
55 HB2 ASN 514 2HB ASN 514 -8.074 -10.185 3.062
56 HB3 ASN 514 1HB ASN 514 -7.532 -9.535 1.519
57 HD21 ASN 514 1HD2 ASN 514 -6.311 -11.510 4.204
58 HD22 ASN 514 2HD2 ASN 514 -5.487 -12.658 3.209
59 H LEU 515 H LEU 515 -5.905 -7.128 1.390
60 HA LEU 515 HA LEU 515 -3.250 -8.164 0.806
61 HB2 LEU 515 2HB LEU 515 -4.698 -5.850 -0.479
62 HB3 LEU 515 1HB LEU 515 -3.275 -6.669 -1.092
63 HG LEU 515 HG LEU 515 -5.958 -8.006 -0.760
64 HD11 LEU 515 1HD1 LEU 515 -4.844 -6.345 -2.939
65 HD12 LEU 515 2HD1 LEU 515 -6.519 -6.613 -2.455
66 HD13 LEU 515 3HD1 LEU 515 -5.671 -7.831 -3.406
67 HD21 LEU 515 3HD2 LEU 515 -4.910 -9.623 -2.377
68 HD22 LEU 515 1HD2 LEU 515 -4.215 -9.616 -0.757
69 HD23 LEU 515 2HD2 LEU 515 -3.375 -8.808 -2.080
70 H HIS 516 H HIS 516 -2.513 -7.503 3.000
71 HA HIS 516 HA HIS 516 -2.214 -4.710 3.570
72 HB2 HIS 516 2HB HIS 516 -2.411 -6.433 5.344
73 HB3 HIS 516 1HB HIS 516 -0.843 -7.074 4.862
74 HD1 HIS 516 1HD HIS 516 1.221 -5.363 5.178
75 HD2 HIS 516 2HD HIS 516 -2.305 -4.399 7.155
76 HE1 HIS 516 1HE HIS 516 1.872 -3.683 6.933
77 HE2 HIS 516 2HE HIS 516 -0.290 -3.050 8.060
78 H TYR 517 H TYR 517 -0.483 -6.936 1.658
79 HA TYR 517 HA TYR 517 2.095 -5.694 1.955
80 HB2 TYR 517 2HB TYR 517 0.986 -7.810 0.127
81 HB3 TYR 517 1HB TYR 517 2.596 -7.142 -0.120
82 HD1 TYR 517 1HD TYR 517 4.320 -7.414 1.677
83 HD2 TYR 517 2HD TYR 517 0.574 -9.426 1.809
84 HE1 TYR 517 1HE TYR 517 5.233 -8.993 3.327
85 HE2 TYR 517 2HE TYR 517 1.475 -11.009 3.460
86 HH TYR 517 HH TYR 517 3.864 -11.876 4.068
87 H TRP 518 H TRP 518 -0.580 -5.522 -0.331
88 HA TRP 518 HA TRP 518 0.902 -3.640 -2.002
89 HB2 TRP 518 2HB TRP 518 -1.708 -5.102 -2.335
90 HB3 TRP 518 1HB TRP 518 -1.258 -3.772 -3.397
91 HD1 TRP 518 HD TRP 518 1.364 -4.187 -4.540
92 HE1 TRP 518 1HE TRP 518 2.204 -6.351 -5.650
93 HE3 TRP 518 3HE TRP 518 -1.925 -7.498 -2.455
94 HZ2 TRP 518 2HZ TRP 518 1.557 -9.099 -5.644
95 HZ3 TRP 518 3HZ TRP 518 -1.748 -9.876 -3.061
96 HH2 TRP 518 HH TRP 518 -0.042 -10.659 -4.621
97 H THR 519 H THR 519 -1.493 -3.662 0.466
98 HA THR 519 HA THR 519 -2.717 -2.047 1.467
99 HB THR 519 HB THR 519 -1.660 -0.035 1.905
100 HG1 THR 519 1HG THR 519 -1.088 1.249 0.362
101 HG21 THR 519 3HG2 THR 519 0.511 -1.800 0.806
102 HG22 THR 519 1HG2 THR 519 -0.025 -1.644 2.479
103 HG23 THR 519 2HG2 THR 519 0.808 -0.304 1.692
104 H THR 520 H THR 520 -1.818 -0.111 -1.407
105 HA THR 520 HA THR 520 -4.110 -0.563 -2.912
106 HB THR 520 HB THR 520 -4.437 1.454 -0.742
107 HG1 THR 520 1HG THR 520 -5.708 -0.316 -0.578
108 HG21 THR 520 3HG2 THR 520 -6.360 2.387 -2.239
109 HG22 THR 520 1HG2 THR 520 -5.282 1.910 -3.552
110 HG23 THR 520 2HG2 THR 520 -4.732 3.061 -2.334
111 H GLN 521 H GLN 521 -2.426 2.369 -1.780
112 HA GLN 521 HA GLN 521 -2.009 3.296 -4.465
113 HB2 GLN 521 2HB GLN 521 -1.640 4.332 -1.775
114 HB3 GLN 521 1HB GLN 521 -0.251 4.684 -2.794
115 HG2 GLN 521 2HG GLN 521 -1.520 6.522 -3.208
116 HG3 GLN 521 1HG GLN 521 -2.103 5.459 -4.488
117 HE21 GLN 521 1HE2 GLN 521 -2.770 6.138 -1.066
118 HE22 GLN 521 2HE2 GLN 521 -4.491 6.124 -1.223
119 H ASP 522 H ASP 522 -0.556 1.079 -2.421
120 HA ASP 522 HA ASP 522 2.024 1.306 -3.693
121 HB2 ASP 522 2HB ASP 522 1.039 -0.333 -1.373
122 HB3 ASP 522 1HB ASP 522 2.628 -0.583 -2.091
123 H GLU 523 H GLU 523 -0.879 -0.274 -4.166
124 HA GLU 523 HA GLU 523 -0.364 -2.836 -4.916
125 HB2 GLU 523 2HB GLU 523 -2.286 -2.730 -6.302
126 HB3 GLU 523 1HB GLU 523 -2.567 -1.587 -4.995
127 HG2 GLU 523 2HG GLU 523 -3.065 -0.092 -6.546
128 HG3 GLU 523 1HG GLU 523 -1.352 -0.070 -6.964
129 H GLY 524 H GLY 524 0.657 0.063 -6.544
130 HA2 GLY 524 2HA GLY 524 2.785 -0.741 -7.883
131 HA3 GLY 524 1HA GLY 524 1.526 -1.426 -8.899
132 H ALA 525 H ALA 525 1.540 1.673 -7.175
133 HA ALA 525 HA ALA 525 1.088 2.985 -9.762
134 HB1 ALA 525 1HB ALA 525 0.409 4.920 -8.101
135 HB2 ALA 525 2HB ALA 525 0.201 3.568 -6.987
136 HB3 ALA 525 3HB ALA 525 -0.706 3.614 -8.499
137 H ALA 526 H ALA 526 2.780 3.615 -6.679
138 HA ALA 526 HA ALA 526 4.888 4.942 -8.226
139 HB1 ALA 526 1HB ALA 526 4.047 6.872 -7.375
140 HB2 ALA 526 2HB ALA 526 5.010 6.392 -5.977
141 HB3 ALA 526 3HB ALA 526 3.278 6.059 -6.012
142 H ILE 527 H ILE 527 5.066 2.390 -7.598
143 HA ILE 527 HA ILE 527 6.526 2.140 -5.103
144 HB ILE 527 HB ILE 527 6.511 -0.314 -5.675
145 HG12 ILE 527 2HG1 ILE 527 4.917 -1.060 -7.386
146 HG13 ILE 527 1HG1 ILE 527 4.568 0.609 -7.822
147 HG21 ILE 527 1HG2 ILE 527 4.945 0.397 -4.104
148 HG22 ILE 527 2HG2 ILE 527 3.960 -0.417 -5.319
149 HG23 ILE 527 3HG2 ILE 527 4.049 1.348 -5.293
150 HD11 ILE 527 3HD1 ILE 527 7.365 -0.396 -8.011
151 HD12 ILE 527 1HD1 ILE 527 6.553 0.865 -8.938
152 HD13 ILE 527 2HD1 ILE 527 6.193 -0.833 -9.254
153 H GLY 528 H GLY 528 7.264 2.863 -8.267
154 HA2 GLY 528 2HA GLY 528 9.484 1.332 -8.899
155 HA3 GLY 528 1HA GLY 528 9.241 2.990 -9.415
156 H LEU 529 H LEU 529 9.231 3.512 -6.275
157 HA LEU 529 HA LEU 529 12.115 3.977 -6.219
158 HB2 LEU 529 2HB LEU 529 10.948 5.951 -5.776
159 HB3 LEU 529 1HB LEU 529 9.770 5.142 -4.765
160 HG LEU 529 HG LEU 529 11.488 6.693 -3.646
161 HD11 LEU 529 1HD1 LEU 529 11.150 5.609 -1.675
162 HD12 LEU 529 2HD1 LEU 529 11.537 4.026 -2.348
163 HD13 LEU 529 3HD1 LEU 529 9.968 4.762 -2.674
164 HD21 LEU 529 3HD2 LEU 529 13.654 6.191 -3.664
165 HD22 LEU 529 1HD2 LEU 529 13.289 5.017 -4.928
166 HD23 LEU 529 2HD2 LEU 529 13.344 4.508 -3.240
167 H ALA 530 H ALA 530 9.558 2.456 -4.311
168 HA ALA 530 HA ALA 530 11.579 1.361 -2.487
169 HB1 ALA 530 1HB ALA 530 10.021 1.343 -0.857
170 HB2 ALA 530 2HB ALA 530 8.708 0.944 -1.967
171 HB3 ALA 530 3HB ALA 530 9.316 2.596 -1.875
172 H TRP 531 H TRP 531 10.174 0.397 -5.278
173 HA TRP 531 HA TRP 531 9.278 -2.205 -4.599
174 HB2 TRP 531 2HB TRP 531 8.560 -1.007 -6.621
175 HB3 TRP 531 1HB TRP 531 10.185 -1.163 -7.279
176 HD1 TRP 531 HD TRP 531 7.209 -3.399 -6.220
177 HE1 TRP 531 1HE TRP 531 7.284 -5.550 -7.632
178 HE3 TRP 531 3HE TRP 531 11.592 -2.576 -8.721
179 HZ2 TRP 531 2HZ TRP 531 8.977 -6.741 -9.551
180 HZ3 TRP 531 3HZ TRP 531 12.369 -4.270 -10.327
181 HH2 TRP 531 HH TRP 531 11.088 -6.309 -10.732
182 H ILE 532 H ILE 532 12.026 -1.490 -3.674
183 HA ILE 532 HA ILE 532 13.229 -4.007 -4.309
184 HB ILE 532 HB ILE 532 15.398 -3.056 -5.055
185 HG12 ILE 532 2HG1 ILE 532 14.569 -0.582 -6.134
186 HG13 ILE 532 1HG1 ILE 532 14.052 -0.582 -4.451
187 HG21 ILE 532 1HG2 ILE 532 13.134 -2.311 -6.896
188 HG22 ILE 532 2HG2 ILE 532 13.705 -3.960 -6.636
189 HG23 ILE 532 3HG2 ILE 532 14.780 -2.756 -7.349
190 HD11 ILE 532 3HD1 ILE 532 16.119 0.180 -4.073
191 HD12 ILE 532 1HD1 ILE 532 16.740 -0.444 -5.602
192 HD13 ILE 532 2HD1 ILE 532 16.579 -1.517 -4.212
193 HA PRO 533 HA PRO 533 13.802 -2.249 0.027
194 HB2 PRO 533 2HB PRO 533 13.737 -4.871 1.023
195 HB3 PRO 533 1HB PRO 533 12.407 -3.713 1.049
196 HG2 PRO 533 2HG PRO 533 12.944 -5.939 -0.857
197 HG3 PRO 533 1HG PRO 533 11.396 -5.328 -0.245
198 HD2 PRO 533 2HD PRO 533 12.231 -4.762 -2.725
199 HD3 PRO 533 1HD PRO 533 11.358 -3.557 -1.752
200 H TYR 534 H TYR 534 15.915 -1.700 0.123
201 HA TYR 534 HA TYR 534 17.942 -3.722 -0.450
202 HB2 TYR 534 2HB TYR 534 17.769 -1.047 -1.082
203 HB3 TYR 534 1HB TYR 534 18.905 -1.056 0.264
204 HD1 TYR 534 1HD TYR 534 18.300 -3.255 -2.707
205 HD2 TYR 534 2HD TYR 534 21.096 -0.996 -0.431
206 HE1 TYR 534 1HE TYR 534 20.095 -3.946 -4.238
207 HE2 TYR 534 2HE TYR 534 22.899 -1.679 -1.956
208 HH TYR 534 HH TYR 534 23.074 -2.462 -4.367
209 H PHE 535 H PHE 535 17.337 -1.282 2.111
210 HA PHE 535 HA PHE 535 18.815 -3.054 3.948
211 HB2 PHE 535 2HB PHE 535 19.134 -0.249 3.363
212 HB3 PHE 535 1HB PHE 535 18.766 -0.477 5.069
213 HD1 PHE 535 1HD PHE 535 20.234 -1.913 6.461
214 HD2 PHE 535 2HD PHE 535 21.233 -0.851 2.463
215 HE1 PHE 535 1HE PHE 535 22.575 -2.540 6.884
216 HE2 PHE 535 2HE PHE 535 23.576 -1.477 2.878
217 HZ PHE 535 HZ PHE 535 24.250 -2.324 5.090
218 H GLY 536 H GLY 536 16.010 -0.952 3.582
219 HA2 GLY 536 2HA GLY 536 15.118 -1.431 6.292
220 HA3 GLY 536 1HA GLY 536 14.260 -0.525 5.056
221 HA PRO 537 HA PRO 537 12.135 -4.660 5.900
222 HB2 PRO 537 2HB PRO 537 9.629 -3.476 5.895
223 HB3 PRO 537 1HB PRO 537 10.575 -3.823 7.344
224 HG2 PRO 537 2HG PRO 537 10.281 -1.262 5.835
225 HG3 PRO 537 1HG PRO 537 10.344 -1.534 7.587
226 HD2 PRO 537 2HD PRO 537 12.467 -0.612 6.239
227 HD3 PRO 537 1HD PRO 537 12.653 -1.741 7.597
228 H ALA 538 H ALA 538 9.602 -4.769 4.624
229 HA ALA 538 HA ALA 538 10.177 -5.493 2.068
230 HB1 ALA 538 1HB ALA 538 7.637 -4.398 3.229
231 HB2 ALA 538 2HB ALA 538 8.050 -6.069 2.844
232 HB3 ALA 538 3HB ALA 538 7.739 -4.916 1.545
233 H ALA 539 H ALA 539 9.222 -2.252 3.143
234 HA ALA 539 HA ALA 539 9.611 -0.187 2.234
235 HB1 ALA 539 1HB ALA 539 11.835 -1.203 1.622
236 HB2 ALA 539 2HB ALA 539 11.282 0.129 0.605
237 HB3 ALA 539 3HB ALA 539 11.139 -1.536 0.033
238 H GLU 540 H GLU 540 9.113 -2.626 -0.260
239 HA GLU 540 HA GLU 540 8.071 -1.363 -2.349
240 HB2 GLU 540 2HB GLU 540 7.769 -3.952 -1.114
241 HB3 GLU 540 1HB GLU 540 6.308 -3.501 -1.986
242 HG2 GLU 540 2HG GLU 540 7.710 -3.067 -3.984
243 HG3 GLU 540 1HG GLU 540 9.106 -3.670 -3.088
244 H GLY 541 H GLY 541 6.497 -1.542 0.772
245 HA2 GLY 541 2HA GLY 541 4.109 -0.281 -0.410
246 HA3 GLY 541 1HA GLY 541 4.100 -1.221 1.069
247 H ILE 542 H ILE 542 5.962 -0.191 2.640
248 HA ILE 542 HA ILE 542 4.846 2.349 3.342
249 HB ILE 542 HB ILE 542 6.048 2.235 5.354
250 HG12 ILE 542 2HG1 ILE 542 8.261 1.634 4.360
251 HG13 ILE 542 1HG1 ILE 542 7.879 0.749 5.830
252 HG21 ILE 542 1HG2 ILE 542 4.796 0.589 6.162
253 HG22 ILE 542 2HG2 ILE 542 5.727 -0.635 5.303
254 HG23 ILE 542 3HG2 ILE 542 4.394 0.186 4.494
255 HD11 ILE 542 3HD1 ILE 542 7.089 -1.123 4.328
256 HD12 ILE 542 1HD1 ILE 542 8.824 -0.808 4.366
257 HD13 ILE 542 2HD1 ILE 542 7.854 -0.244 3.006
258 H TYR 543 H TYR 543 7.724 1.398 1.651
259 HA TYR 543 HA TYR 543 8.887 4.061 2.062
260 HB2 TYR 543 2HB TYR 543 9.969 1.424 1.233
261 HB3 TYR 543 1HB TYR 543 10.720 2.845 0.524
262 HD1 TYR 543 1HD TYR 543 10.051 1.062 3.678
263 HD2 TYR 543 2HD TYR 543 12.101 4.300 1.833
264 HE1 TYR 543 1HE TYR 543 11.407 1.352 5.708
265 HE2 TYR 543 2HE TYR 543 13.462 4.600 3.858
266 HH TYR 543 HH TYR 543 13.413 4.095 6.203
267 H ALA 544 H ALA 544 7.068 2.239 -0.111
268 HA ALA 544 HA ALA 544 7.794 3.790 -2.464
269 HB1 ALA 544 1HB ALA 544 5.625 2.159 -3.067
270 HB2 ALA 544 2HB ALA 544 6.562 1.239 -1.883
271 HB3 ALA 544 3HB ALA 544 7.329 1.805 -3.370
272 H GLU 545 H GLU 545 5.410 3.620 0.033
273 HA GLU 545 HA GLU 545 3.812 5.685 -1.345
274 HB2 GLU 545 2HB GLU 545 2.477 3.728 -1.124
275 HB3 GLU 545 1HB GLU 545 2.989 3.485 0.542
276 HG2 GLU 545 2HG GLU 545 0.704 4.329 0.400
277 HG3 GLU 545 1HG GLU 545 1.776 5.458 1.234
278 H GLY 546 H GLY 546 5.301 4.666 1.644
279 HA2 GLY 546 2HA GLY 546 5.552 5.691 3.690
280 HA3 GLY 546 1HA GLY 546 6.071 7.016 2.668
281 H LEU 547 H LEU 547 2.761 5.710 3.129
282 HA LEU 547 HA LEU 547 1.929 7.638 4.950
283 HB2 LEU 547 2HB LEU 547 1.724 9.514 3.801
284 HB3 LEU 547 1HB LEU 547 2.382 8.710 2.395
285 HG LEU 547 HG LEU 547 -0.511 8.293 2.785
286 HD11 LEU 547 1HD1 LEU 547 -1.135 10.507 2.018
287 HD12 LEU 547 2HD1 LEU 547 0.549 11.025 2.094
288 HD13 LEU 547 3HD1 LEU 547 -0.310 10.597 3.574
289 HD21 LEU 547 3HD2 LEU 547 1.389 8.119 0.738
290 HD22 LEU 547 1HD2 LEU 547 0.342 9.468 0.299
291 HD23 LEU 547 2HD2 LEU 547 -0.350 7.877 0.604
292 H MET 548 H MET 548 0.520 6.349 1.922
293 HA MET 548 HA MET 548 -1.806 5.478 3.466
294 HB2 MET 548 2HB MET 548 -1.331 6.225 0.669
295 HB3 MET 548 1HB MET 548 -2.333 4.794 0.853
296 HG2 MET 548 2HG MET 548 -3.979 6.318 0.941
297 HG3 MET 548 1HG MET 548 -3.522 6.386 2.642
298 HE1 MET 548 3HE MET 548 -4.840 9.140 2.435
299 HE2 MET 548 1HE MET 548 -3.424 9.978 3.070
300 HE3 MET 548 2HE MET 548 -3.808 8.349 3.626
301 H HIS 549 H HIS 549 1.036 4.198 3.098
302 HA HIS 549 HA HIS 549 0.687 1.707 1.867
303 HB2 HIS 549 2HB HIS 549 2.687 1.017 3.073
304 HB3 HIS 549 1HB HIS 549 2.890 2.657 2.467
305 HD1 HIS 549 1HD HIS 549 3.889 4.186 4.122
306 HD2 HIS 549 2HD HIS 549 1.728 1.145 5.952
307 HE1 HIS 549 1HE HIS 549 4.164 4.559 6.594
308 HE2 HIS 549 2HE HIS 549 2.772 2.762 7.680
309 H ASN 550 H ASN 550 -0.739 2.911 4.679
310 HA ASN 550 HA ASN 550 -0.981 0.292 5.905
311 HB2 ASN 550 2HB ASN 550 -0.446 2.169 7.368
312 HB3 ASN 550 1HB ASN 550 -1.895 3.020 6.837
313 HD21 ASN 550 1HD2 ASN 550 -0.732 0.169 8.540
314 HD22 ASN 550 2HD2 ASN 550 -2.137 -0.044 9.523
315 H GLN 551 H GLN 551 -2.975 2.669 4.272
316 HA GLN 551 HA GLN 551 -5.469 1.485 4.897
317 HB2 GLN 551 2HB GLN 551 -6.309 2.778 2.915
318 HB3 GLN 551 1HB GLN 551 -5.470 3.743 4.121
319 HG2 GLN 551 2HG GLN 551 -3.764 4.246 2.738
320 HG3 GLN 551 1HG GLN 551 -3.833 2.692 1.906
321 HE21 GLN 551 1HE2 GLN 551 -3.949 3.299 -0.168
322 HE22 GLN 551 2HE2 GLN 551 -5.189 4.300 -0.838
323 H ASP 552 H ASP 552 -4.687 -0.747 4.592
324 HA ASP 552 HA ASP 552 -4.542 -1.657 1.830
325 HB2 ASP 552 2HB ASP 552 -3.945 -3.837 2.818
326 HB3 ASP 552 1HB ASP 552 -2.893 -2.545 3.386
327 H GLY 553 H GLY 553 -7.064 -0.695 3.200
328 HA2 GLY 553 2HA GLY 553 -9.162 -1.602 2.174
329 HA3 GLY 553 1HA GLY 553 -8.663 -3.154 2.835
330 H LEU 554 H LEU 554 -7.617 -1.844 5.277
331 HA LEU 554 HA LEU 554 -9.855 -2.104 6.948
332 HB2 LEU 554 2HB LEU 554 -7.415 -0.451 7.563
333 HB3 LEU 554 1HB LEU 554 -8.448 -1.304 8.699
334 HG LEU 554 HG LEU 554 -7.218 -3.094 6.748
335 HD11 LEU 554 1HD1 LEU 554 -4.960 -2.961 7.583
336 HD12 LEU 554 2HD1 LEU 554 -5.400 -1.631 8.655
337 HD13 LEU 554 3HD1 LEU 554 -5.429 -1.400 6.906
338 HD21 LEU 554 3HD2 LEU 554 -7.049 -4.506 8.552
339 HD22 LEU 554 1HD2 LEU 554 -8.409 -3.494 9.041
340 HD23 LEU 554 2HD2 LEU 554 -6.801 -3.188 9.699
341 H ILE 555 H ILE 555 -8.094 0.762 5.892
342 HA ILE 555 HA ILE 555 -10.045 2.592 6.930
343 HB ILE 555 HB ILE 555 -7.626 2.948 5.177
344 HG12 ILE 555 2HG1 ILE 555 -6.666 2.453 7.181
345 HG13 ILE 555 1HG1 ILE 555 -6.949 4.167 7.459
346 HG21 ILE 555 1HG2 ILE 555 -8.379 5.353 6.533
347 HG22 ILE 555 2HG2 ILE 555 -9.728 4.768 5.559
348 HG23 ILE 555 3HG2 ILE 555 -8.160 5.066 4.807
349 HD11 ILE 555 3HD1 ILE 555 -8.495 1.822 8.507
350 HD12 ILE 555 1HD1 ILE 555 -9.151 3.460 8.523
351 HD13 ILE 555 2HD1 ILE 555 -7.668 3.095 9.407
352 H CYS 556 H CYS 556 -11.637 1.217 5.558
353 HA CYS 556 HA CYS 556 -11.886 1.415 2.815
354 HB2 CYS 556 2HB CYS 556 -13.421 0.406 4.890
355 HB3 CYS 556 1HB CYS 556 -14.457 1.639 4.180
356 H GLY 557 H GLY 557 -12.324 3.874 5.202
357 HA2 GLY 557 2HA GLY 557 -14.125 5.603 4.029
358 HA3 GLY 557 1HA GLY 557 -12.753 6.120 4.994
359 H LEU 558 H LEU 558 -10.949 4.801 2.920
360 HA LEU 558 HA LEU 558 -10.219 7.058 1.502
361 HB2 LEU 558 2HB LEU 558 -8.989 5.490 0.001
362 HB3 LEU 558 1HB LEU 558 -8.684 5.253 1.712
363 HG LEU 558 HG LEU 558 -10.604 3.448 1.458
364 HD11 LEU 558 1HD1 LEU 558 -10.024 4.210 -1.265
365 HD12 LEU 558 2HD1 LEU 558 -11.292 3.161 -0.633
366 HD13 LEU 558 3HD1 LEU 558 -9.699 2.498 -0.994
367 HD21 LEU 558 3HD2 LEU 558 -8.675 2.546 2.234
368 HD22 LEU 558 1HD2 LEU 558 -7.682 3.341 1.012
369 HD23 LEU 558 2HD2 LEU 558 -8.607 1.899 0.594
370 H ARG 559 H ARG 559 -12.333 4.410 0.492
371 HA ARG 559 HA ARG 559 -13.783 4.176 -1.246
372 HB2 ARG 559 2HB ARG 559 -13.892 7.102 -0.648
373 HB3 ARG 559 1HB ARG 559 -14.733 6.492 -2.066
374 HG2 ARG 559 2HG ARG 559 -16.334 6.523 -0.361
375 HG3 ARG 559 1HG ARG 559 -15.852 4.832 -0.510
376 HD2 ARG 559 2HD ARG 559 -14.175 5.340 1.352
377 HD3 ARG 559 1HD ARG 559 -15.102 6.817 1.610
378 HE ARG 559 HE ARG 559 -16.430 4.196 1.695
379 HH11 ARG 559 1HH1 ARG 559 -15.518 7.176 3.289
380 HH12 ARG 559 2HH1 ARG 559 -16.545 6.898 4.652
381 HH21 ARG 559 1HH2 ARG 559 -17.774 3.844 3.491
382 HH22 ARG 559 2HH2 ARG 559 -17.822 5.012 4.770
383 H GLN 560 H GLN 560 -14.299 5.252 -3.572
384 HA GLN 560 HA GLN 560 -13.564 5.501 -5.710
385 HB2 GLN 560 2HB GLN 560 -11.244 6.866 -4.333
386 HB3 GLN 560 1HB GLN 560 -11.537 6.901 -6.066
387 HG2 GLN 560 2HG GLN 560 -12.886 8.631 -5.830
388 HG3 GLN 560 1HG GLN 560 -13.915 7.712 -4.732
389 HE21 GLN 560 1HE2 GLN 560 -13.943 8.235 -2.636
390 HE22 GLN 560 2HE2 GLN 560 -12.926 9.419 -1.896
Start of MODEL 18
1 H1 ALA 507 1HT ALA 507 -21.380 4.313 -1.502
2 H2 ALA 507 2HT ALA 507 -21.037 5.886 -0.907
3 H3 ALA 507 3HT ALA 507 -20.994 4.537 0.152
4 HA ALA 507 HA ALA 507 -19.117 5.349 -1.926
5 HB1 ALA 507 2HB ALA 507 -19.152 4.974 0.974
6 HB2 ALA 507 3HB ALA 507 -18.124 5.999 -0.027
7 HB3 ALA 507 1HB ALA 507 -17.738 4.288 0.171
8 H GLN 508 H GLN 508 -17.779 3.887 -2.916
9 HA GLN 508 HA GLN 508 -18.301 1.046 -2.383
10 HB2 GLN 508 2HB GLN 508 -18.957 2.465 -4.746
11 HB3 GLN 508 1HB GLN 508 -17.597 1.424 -5.141
12 HG2 GLN 508 2HG GLN 508 -19.063 -0.362 -3.855
13 HG3 GLN 508 1HG GLN 508 -20.364 0.719 -4.350
14 HE21 GLN 508 1HE2 GLN 508 -17.784 -1.357 -5.461
15 HE22 GLN 508 2HE2 GLN 508 -18.377 -1.560 -7.071
16 HA PRO 509 HA PRO 509 -13.761 1.715 -2.397
17 HB2 PRO 509 2HB PRO 509 -13.233 0.995 0.124
18 HB3 PRO 509 1HB PRO 509 -13.871 2.598 -0.260
19 HG2 PRO 509 2HG PRO 509 -15.237 0.256 0.942
20 HG3 PRO 509 1HG PRO 509 -15.542 1.984 1.182
21 HD2 PRO 509 2HD PRO 509 -16.965 0.208 -0.512
22 HD3 PRO 509 1HD PRO 509 -17.145 1.970 -0.414
23 H LYS 510 H LYS 510 -15.821 -0.949 -1.755
24 HA LYS 510 HA LYS 510 -15.601 -3.143 -2.310
25 HB2 LYS 510 2HB LYS 510 -13.987 -3.809 -3.737
26 HB3 LYS 510 1HB LYS 510 -13.578 -2.102 -3.782
27 HG2 LYS 510 2HG LYS 510 -12.070 -2.792 -1.712
28 HG3 LYS 510 1HG LYS 510 -12.157 -4.367 -2.502
29 HD2 LYS 510 2HD LYS 510 -10.403 -3.608 -3.689
30 HD3 LYS 510 1HD LYS 510 -11.630 -2.741 -4.614
31 HE2 LYS 510 2HE LYS 510 -11.156 -0.728 -3.619
32 HE3 LYS 510 1HE LYS 510 -10.543 -1.480 -2.146
33 HZ1 LYS 510 3HZ LYS 510 -8.593 -2.218 -3.461
34 HZ2 LYS 510 1HZ LYS 510 -8.721 -0.535 -3.335
35 HZ3 LYS 510 2HZ LYS 510 -9.164 -1.313 -4.771
36 H CYS 511 H CYS 511 -13.439 -1.598 -0.146
37 HA CYS 511 HA CYS 511 -12.377 -2.247 1.765
38 HB2 CYS 511 2HB CYS 511 -15.150 -3.350 1.904
39 HB3 CYS 511 1HB CYS 511 -14.021 -3.725 3.202
40 H ASN 512 H ASN 512 -10.784 -3.486 0.554
41 HA ASN 512 HA ASN 512 -11.048 -6.385 1.001
42 HB2 ASN 512 2HB ASN 512 -10.429 -4.977 -1.369
43 HB3 ASN 512 1HB ASN 512 -8.932 -5.743 -0.846
44 HD21 ASN 512 1HD2 ASN 512 -9.316 -8.084 -0.068
45 HD22 ASN 512 2HD2 ASN 512 -10.272 -9.060 -1.125
46 HA PRO 513 HA PRO 513 -7.580 -4.966 3.686
47 HB2 PRO 513 2HB PRO 513 -8.428 -6.013 5.991
48 HB3 PRO 513 1HB PRO 513 -9.099 -4.499 5.368
49 HG2 PRO 513 2HG PRO 513 -10.247 -7.258 5.293
50 HG3 PRO 513 1HG PRO 513 -11.061 -5.713 5.593
51 HD2 PRO 513 2HD PRO 513 -11.035 -7.052 3.166
52 HD3 PRO 513 1HD PRO 513 -11.366 -5.320 3.368
53 H ASN 514 H ASN 514 -8.016 -7.515 2.018
54 HA ASN 514 HA ASN 514 -6.663 -9.475 3.709
55 HB2 ASN 514 2HB ASN 514 -8.576 -10.292 2.456
56 HB3 ASN 514 1HB ASN 514 -7.875 -9.715 0.947
57 HD21 ASN 514 1HD2 ASN 514 -5.836 -10.696 0.281
58 HD22 ASN 514 2HD2 ASN 514 -5.546 -12.355 0.665
59 H LEU 515 H LEU 515 -6.120 -7.396 0.960
60 HA LEU 515 HA LEU 515 -3.567 -8.631 0.334
61 HB2 LEU 515 2HB LEU 515 -4.926 -6.196 -0.818
62 HB3 LEU 515 1HB LEU 515 -3.428 -6.886 -1.414
63 HG LEU 515 HG LEU 515 -5.570 -8.855 -1.298
64 HD11 LEU 515 1HD1 LEU 515 -6.093 -6.234 -2.553
65 HD12 LEU 515 2HD1 LEU 515 -7.215 -7.435 -1.915
66 HD13 LEU 515 3HD1 LEU 515 -6.492 -7.662 -3.507
67 HD21 LEU 515 3HD2 LEU 515 -4.851 -9.146 -3.677
68 HD22 LEU 515 1HD2 LEU 515 -3.556 -9.308 -2.491
69 HD23 LEU 515 2HD2 LEU 515 -3.710 -7.823 -3.430
70 H HIS 516 H HIS 516 -2.783 -8.173 2.558
71 HA HIS 516 HA HIS 516 -2.190 -5.448 3.258
72 HB2 HIS 516 2HB HIS 516 -2.581 -7.581 4.781
73 HB3 HIS 516 1HB HIS 516 -0.838 -7.746 4.596
74 HD1 HIS 516 1HD HIS 516 -3.219 -6.308 6.786
75 HD2 HIS 516 2HD HIS 516 0.462 -5.083 5.298
76 HE1 HIS 516 1HE HIS 516 -2.414 -4.526 8.368
77 HE2 HIS 516 2HE HIS 516 -0.199 -3.777 7.432
78 H TYR 517 H TYR 517 -0.779 -7.608 1.134
79 HA TYR 517 HA TYR 517 1.971 -6.938 1.637
80 HB2 TYR 517 2HB TYR 517 0.765 -8.263 -0.796
81 HB3 TYR 517 1HB TYR 517 2.461 -8.266 -0.330
82 HD1 TYR 517 2HD TYR 517 2.778 -9.132 2.239
83 HD2 TYR 517 1HD TYR 517 -0.374 -10.220 -0.404
84 HE1 TYR 517 2HE TYR 517 2.425 -11.202 3.520
85 HE2 TYR 517 1HE TYR 517 -0.736 -12.292 0.869
86 HH TYR 517 HH TYR 517 1.386 -13.605 2.888
87 H TRP 518 H TRP 518 -0.291 -6.231 -1.038
88 HA TRP 518 HA TRP 518 1.529 -4.175 -2.008
89 HB2 TRP 518 2HB TRP 518 -0.850 -5.586 -3.126
90 HB3 TRP 518 1HB TRP 518 -0.414 -4.012 -3.784
91 HD1 TRP 518 HD TRP 518 2.116 -3.838 -4.880
92 HE1 TRP 518 1HE TRP 518 3.496 -5.637 -6.099
93 HE3 TRP 518 3HE TRP 518 -0.359 -8.006 -3.253
94 HZ2 TRP 518 2HZ TRP 518 3.530 -8.450 -6.340
95 HZ3 TRP 518 3HZ TRP 518 0.410 -10.211 -4.025
96 HH2 TRP 518 HH TRP 518 2.315 -10.427 -5.536
97 H THR 519 H THR 519 -0.904 -4.259 0.229
98 HA THR 519 HA THR 519 -2.233 -2.704 1.212
99 HB THR 519 HB THR 519 -1.244 -0.646 1.646
100 HG1 THR 519 1HG THR 519 -0.667 0.646 0.109
101 HG21 THR 519 3HG2 THR 519 0.438 -2.220 2.224
102 HG22 THR 519 1HG2 THR 519 1.226 -0.840 1.461
103 HG23 THR 519 2HG2 THR 519 0.992 -2.333 0.552
104 H THR 520 H THR 520 -1.362 -0.743 -1.640
105 HA THR 520 HA THR 520 -3.607 -1.232 -3.195
106 HB THR 520 HB THR 520 -4.048 0.719 -0.987
107 HG1 THR 520 1HG THR 520 -5.344 -0.993 -0.858
108 HG21 THR 520 3HG2 THR 520 -5.949 1.647 -2.533
109 HG22 THR 520 1HG2 THR 520 -4.791 1.263 -3.808
110 HG23 THR 520 2HG2 THR 520 -4.344 2.378 -2.517
111 H GLN 521 H GLN 521 -2.032 1.717 -1.957
112 HA GLN 521 HA GLN 521 -1.584 2.730 -4.600
113 HB2 GLN 521 2HB GLN 521 -1.289 3.699 -1.881
114 HB3 GLN 521 1HB GLN 521 0.115 4.105 -2.856
115 HG2 GLN 521 2HG GLN 521 -0.984 5.757 -3.820
116 HG3 GLN 521 1HG GLN 521 -2.237 4.646 -4.368
117 HE21 GLN 521 1HE2 GLN 521 -3.200 3.860 -1.841
118 HE22 GLN 521 2HE2 GLN 521 -4.002 5.212 -1.127
119 H ASP 522 H ASP 522 -0.120 0.433 -2.667
120 HA ASP 522 HA ASP 522 2.483 0.818 -3.845
121 HB2 ASP 522 2HB ASP 522 1.663 -1.331 -1.899
122 HB3 ASP 522 1HB ASP 522 3.303 -0.853 -2.324
123 H GLU 523 H GLU 523 -0.363 -0.769 -4.529
124 HA GLU 523 HA GLU 523 0.209 -3.251 -5.478
125 HB2 GLU 523 2HB GLU 523 -1.667 -3.033 -6.929
126 HB3 GLU 523 1HB GLU 523 -2.011 -2.057 -5.507
127 HG2 GLU 523 2HG GLU 523 -2.474 -0.381 -6.867
128 HG3 GLU 523 1HG GLU 523 -0.760 -0.315 -7.274
129 H GLY 524 H GLY 524 1.253 -0.213 -6.830
130 HA2 GLY 524 2HA GLY 524 3.409 -0.860 -8.183
131 HA3 GLY 524 1HA GLY 524 2.200 -1.529 -9.265
132 H ALA 525 H ALA 525 2.073 1.461 -7.365
133 HA ALA 525 HA ALA 525 1.567 2.900 -9.864
134 HB1 ALA 525 1HB ALA 525 1.045 3.796 -7.036
135 HB2 ALA 525 2HB ALA 525 -0.145 3.059 -8.109
136 HB3 ALA 525 3HB ALA 525 0.549 4.629 -8.510
137 H ALA 526 H ALA 526 3.242 3.542 -6.778
138 HA ALA 526 HA ALA 526 5.356 4.876 -8.318
139 HB1 ALA 526 1HB ALA 526 3.571 6.331 -6.919
140 HB2 ALA 526 2HB ALA 526 5.247 6.821 -7.167
141 HB3 ALA 526 3HB ALA 526 4.775 6.024 -5.667
142 H ILE 527 H ILE 527 5.263 2.260 -7.374
143 HA ILE 527 HA ILE 527 6.942 2.216 -5.011
144 HB ILE 527 HB ILE 527 6.604 -0.250 -5.125
145 HG12 ILE 527 2HG1 ILE 527 4.749 -1.036 -6.622
146 HG13 ILE 527 1HG1 ILE 527 4.790 0.523 -7.438
147 HG21 ILE 527 1HG2 ILE 527 4.413 1.757 -4.921
148 HG22 ILE 527 2HG2 ILE 527 5.166 0.778 -3.658
149 HG23 ILE 527 3HG2 ILE 527 4.018 0.043 -4.776
150 HD11 ILE 527 3HD1 ILE 527 7.241 -1.181 -7.259
151 HD12 ILE 527 1HD1 ILE 527 6.841 0.082 -8.422
152 HD13 ILE 527 2HD1 ILE 527 6.013 -1.473 -8.490
153 H GLY 528 H GLY 528 7.501 2.547 -8.217
154 HA2 GLY 528 2HA GLY 528 9.417 0.653 -8.885
155 HA3 GLY 528 1HA GLY 528 9.348 2.280 -9.536
156 H LEU 529 H LEU 529 9.712 3.087 -6.478
157 HA LEU 529 HA LEU 529 12.631 3.083 -6.712
158 HB2 LEU 529 2HB LEU 529 12.550 4.850 -4.987
159 HB3 LEU 529 1HB LEU 529 11.667 5.256 -6.444
160 HG LEU 529 HG LEU 529 9.967 4.006 -4.433
161 HD11 LEU 529 1HD1 LEU 529 11.464 6.519 -3.740
162 HD12 LEU 529 2HD1 LEU 529 11.322 5.038 -2.794
163 HD13 LEU 529 3HD1 LEU 529 9.920 6.086 -3.008
164 HD21 LEU 529 3HD2 LEU 529 8.631 6.077 -4.910
165 HD22 LEU 529 1HD2 LEU 529 9.000 5.083 -6.320
166 HD23 LEU 529 2HD2 LEU 529 9.912 6.563 -6.021
167 H ALA 530 H ALA 530 10.051 2.014 -4.601
168 HA ALA 530 HA ALA 530 12.015 1.000 -2.670
169 HB1 ALA 530 1HB ALA 530 10.467 1.223 -1.055
170 HB2 ALA 530 2HB ALA 530 9.135 0.765 -2.114
171 HB3 ALA 530 3HB ALA 530 9.802 2.397 -2.186
172 H TRP 531 H TRP 531 10.549 -0.161 -5.355
173 HA TRP 531 HA TRP 531 9.487 -2.618 -4.448
174 HB2 TRP 531 2HB TRP 531 9.102 -1.436 -6.675
175 HB3 TRP 531 1HB TRP 531 10.618 -2.165 -7.193
176 HD1 TRP 531 HD TRP 531 7.613 -3.706 -5.265
177 HE1 TRP 531 1HE TRP 531 6.890 -5.840 -6.509
178 HE3 TRP 531 3HE TRP 531 10.891 -3.513 -9.184
179 HZ2 TRP 531 2HZ TRP 531 7.612 -7.255 -8.843
180 HZ3 TRP 531 3HZ TRP 531 10.811 -5.296 -10.878
181 HH2 TRP 531 HH TRP 531 9.205 -7.127 -10.709
182 H ILE 532 H ILE 532 12.227 -2.002 -3.473
183 HA ILE 532 HA ILE 532 13.281 -4.640 -3.762
184 HB ILE 532 HB ILE 532 15.542 -3.912 -4.517
185 HG12 ILE 532 2HG1 ILE 532 14.902 -1.561 -5.943
186 HG13 ILE 532 1HG1 ILE 532 14.311 -1.314 -4.303
187 HG21 ILE 532 1HG2 ILE 532 15.042 -3.926 -6.843
188 HG22 ILE 532 2HG2 ILE 532 13.429 -3.270 -6.561
189 HG23 ILE 532 3HG2 ILE 532 13.818 -4.908 -6.037
190 HD11 ILE 532 3HD1 ILE 532 16.819 -2.394 -3.931
191 HD12 ILE 532 1HD1 ILE 532 16.379 -0.692 -3.805
192 HD13 ILE 532 2HD1 ILE 532 17.019 -1.327 -5.321
193 HA PRO 533 HA PRO 533 13.623 -2.420 0.387
194 HB2 PRO 533 2HB PRO 533 13.653 -5.034 1.516
195 HB3 PRO 533 1HB PRO 533 12.342 -3.857 1.557
196 HG2 PRO 533 2HG PRO 533 12.748 -6.172 -0.247
197 HG3 PRO 533 1HG PRO 533 11.240 -5.415 0.296
198 HD2 PRO 533 2HD PRO 533 12.151 -5.085 -2.204
199 HD3 PRO 533 1HD PRO 533 11.336 -3.765 -1.337
200 H TYR 534 H TYR 534 15.789 -1.842 -0.294
201 HA TYR 534 HA TYR 534 17.864 -3.838 0.225
202 HB2 TYR 534 2HB TYR 534 17.868 -2.342 -1.844
203 HB3 TYR 534 1HB TYR 534 18.285 -1.018 -0.761
204 HD1 TYR 534 1HD TYR 534 20.359 -1.510 0.815
205 HD2 TYR 534 2HD TYR 534 19.584 -3.503 -2.862
206 HE1 TYR 534 1HE TYR 534 22.735 -2.120 0.652
207 HE2 TYR 534 2HE TYR 534 21.958 -4.121 -3.035
208 HH TYR 534 HH TYR 534 24.362 -2.723 -1.153
209 H PHE 535 H PHE 535 16.609 -0.794 1.434
210 HA PHE 535 HA PHE 535 18.679 -0.123 3.192
211 HB2 PHE 535 2HB PHE 535 16.020 0.786 2.623
212 HB3 PHE 535 1HB PHE 535 16.234 0.695 4.368
213 HD1 PHE 535 2HD PHE 535 18.240 1.798 1.415
214 HD2 PHE 535 1HD PHE 535 16.907 2.636 5.369
215 HE1 PHE 535 2HE PHE 535 19.458 3.935 1.368
216 HE2 PHE 535 1HE PHE 535 18.121 4.776 5.330
217 HZ PHE 535 HZ PHE 535 19.400 5.427 3.328
218 H GLY 536 H GLY 536 15.959 -2.326 3.574
219 HA2 GLY 536 2HA GLY 536 16.842 -4.139 5.255
220 HA3 GLY 536 1HA GLY 536 16.694 -2.792 6.372
221 HA PRO 537 HA PRO 537 12.328 -3.444 6.719
222 HB2 PRO 537 2HB PRO 537 11.300 -1.006 5.573
223 HB3 PRO 537 1HB PRO 537 11.489 -1.421 7.276
224 HG2 PRO 537 2HG PRO 537 12.947 0.507 5.956
225 HG3 PRO 537 1HG PRO 537 13.456 -0.301 7.447
226 HD2 PRO 537 2HD PRO 537 14.326 -0.774 4.638
227 HD3 PRO 537 1HD PRO 537 15.251 -0.907 6.147
228 H ALA 538 H ALA 538 10.056 -2.756 5.354
229 HA ALA 538 HA ALA 538 10.148 -4.522 3.130
230 HB1 ALA 538 1HB ALA 538 8.092 -4.454 4.260
231 HB2 ALA 538 2HB ALA 538 7.790 -3.628 2.730
232 HB3 ALA 538 3HB ALA 538 8.023 -2.691 4.208
233 H ALA 539 H ALA 539 9.825 -1.005 3.437
234 HA ALA 539 HA ALA 539 10.387 0.702 2.008
235 HB1 ALA 539 1HB ALA 539 11.491 -1.348 0.120
236 HB2 ALA 539 2HB ALA 539 12.377 -0.797 1.547
237 HB3 ALA 539 3HB ALA 539 11.939 0.352 0.280
238 H GLU 540 H GLU 540 9.452 -2.140 0.158
239 HA GLU 540 HA GLU 540 8.352 -1.224 -2.082
240 HB2 GLU 540 2HB GLU 540 7.750 -3.448 -0.259
241 HB3 GLU 540 1HB GLU 540 6.483 -3.078 -1.424
242 HG2 GLU 540 2HG GLU 540 8.214 -3.246 -3.219
243 HG3 GLU 540 1HG GLU 540 9.345 -3.819 -1.993
244 H GLY 541 H GLY 541 7.013 -0.695 1.099
245 HA2 GLY 541 2HA GLY 541 4.811 0.814 -0.165
246 HA3 GLY 541 1HA GLY 541 4.578 -0.126 1.303
247 H ILE 542 H ILE 542 6.809 0.505 2.740
248 HA ILE 542 HA ILE 542 6.124 3.079 3.756
249 HB ILE 542 HB ILE 542 8.058 2.697 5.321
250 HG12 ILE 542 2HG1 ILE 542 8.630 0.089 5.260
251 HG13 ILE 542 1HG1 ILE 542 8.351 0.324 3.541
252 HG21 ILE 542 1HG2 ILE 542 6.490 0.248 5.607
253 HG22 ILE 542 2HG2 ILE 542 5.520 1.693 5.323
254 HG23 ILE 542 3HG2 ILE 542 6.638 1.636 6.685
255 HD11 ILE 542 3HD1 ILE 542 10.407 1.651 5.271
256 HD12 ILE 542 1HD1 ILE 542 10.018 2.201 3.642
257 HD13 ILE 542 2HD1 ILE 542 10.660 0.579 3.893
258 H TYR 543 H TYR 543 8.544 1.961 1.514
259 HA TYR 543 HA TYR 543 9.838 4.607 1.659
260 HB2 TYR 543 2HB TYR 543 11.245 2.522 2.104
261 HB3 TYR 543 1HB TYR 543 11.048 2.152 0.396
262 HD1 TYR 543 1HD TYR 543 12.069 5.016 2.571
263 HD2 TYR 543 2HD TYR 543 12.700 2.869 -1.047
264 HE1 TYR 543 1HE TYR 543 13.980 6.473 2.045
265 HE2 TYR 543 2HE TYR 543 14.613 4.319 -1.583
266 HH TYR 543 HH TYR 543 16.299 5.853 0.140
267 H ALA 544 H ALA 544 7.738 2.747 -0.125
268 HA ALA 544 HA ALA 544 8.428 4.019 -2.685
269 HB1 ALA 544 1HB ALA 544 8.026 1.950 -3.417
270 HB2 ALA 544 2HB ALA 544 6.318 2.285 -3.123
271 HB3 ALA 544 3HB ALA 544 7.286 1.475 -1.890
272 H GLU 545 H GLU 545 5.947 3.652 -0.242
273 HA GLU 545 HA GLU 545 4.360 5.765 -1.560
274 HB2 GLU 545 2HB GLU 545 3.157 3.659 -1.529
275 HB3 GLU 545 1HB GLU 545 3.462 3.475 0.194
276 HG2 GLU 545 2HG GLU 545 1.232 4.207 0.003
277 HG3 GLU 545 1HG GLU 545 2.165 5.610 0.533
278 H GLY 546 H GLY 546 5.705 4.540 1.422
279 HA2 GLY 546 2HA GLY 546 5.778 5.393 3.561
280 HA3 GLY 546 1HA GLY 546 6.320 6.816 2.691
281 H LEU 547 H LEU 547 3.036 5.395 2.732
282 HA LEU 547 HA LEU 547 2.027 7.203 4.624
283 HB2 LEU 547 2HB LEU 547 1.725 9.081 3.506
284 HB3 LEU 547 1HB LEU 547 2.531 8.361 2.130
285 HG LEU 547 HG LEU 547 -0.321 7.680 2.280
286 HD11 LEU 547 1HD1 LEU 547 0.558 10.490 2.474
287 HD12 LEU 547 2HD1 LEU 547 -0.951 9.731 2.982
288 HD13 LEU 547 3HD1 LEU 547 -0.688 10.123 1.283
289 HD21 LEU 547 3HD2 LEU 547 -0.215 7.986 -0.031
290 HD22 LEU 547 1HD2 LEU 547 1.387 7.379 0.382
291 HD23 LEU 547 2HD2 LEU 547 1.145 9.100 0.086
292 H MET 548 H MET 548 0.832 5.850 1.535
293 HA MET 548 HA MET 548 -1.496 4.852 2.979
294 HB2 MET 548 2HB MET 548 -0.959 5.605 0.195
295 HB3 MET 548 1HB MET 548 -1.941 4.156 0.379
296 HG2 MET 548 2HG MET 548 -3.718 5.404 0.782
297 HG3 MET 548 1HG MET 548 -2.923 6.094 2.192
298 HE1 MET 548 3HE MET 548 -5.084 7.170 -0.126
299 HE2 MET 548 1HE MET 548 -4.643 8.867 -0.317
300 HE3 MET 548 2HE MET 548 -4.834 8.182 1.297
301 H HIS 549 H HIS 549 1.399 3.688 2.748
302 HA HIS 549 HA HIS 549 1.121 1.166 1.515
303 HB2 HIS 549 2HB HIS 549 3.155 0.557 2.702
304 HB3 HIS 549 1HB HIS 549 3.303 2.197 2.080
305 HD1 HIS 549 1HD HIS 549 2.501 0.425 5.339
306 HD2 HIS 549 2HD HIS 549 4.003 4.042 3.950
307 HE1 HIS 549 1HE HIS 549 3.236 1.679 7.390
308 HE2 HIS 549 2HE HIS 549 4.035 3.910 6.533
309 H ASN 550 H ASN 550 -0.303 2.409 4.306
310 HA ASN 550 HA ASN 550 -0.499 -0.183 5.606
311 HB2 ASN 550 2HB ASN 550 -0.975 2.638 6.424
312 HB3 ASN 550 1HB ASN 550 -1.877 1.378 7.264
313 HD21 ASN 550 1HD2 ASN 550 -0.287 -0.610 7.694
314 HD22 ASN 550 2HD2 ASN 550 1.151 -0.158 8.538
315 H GLN 551 H GLN 551 -2.561 2.202 4.052
316 HA GLN 551 HA GLN 551 -5.027 1.004 4.704
317 HB2 GLN 551 2HB GLN 551 -5.921 2.309 2.765
318 HB3 GLN 551 1HB GLN 551 -5.017 3.270 3.928
319 HG2 GLN 551 2HG GLN 551 -3.642 3.964 2.354
320 HG3 GLN 551 1HG GLN 551 -3.239 2.303 1.923
321 HE21 GLN 551 1HE2 GLN 551 -6.355 3.933 1.685
322 HE22 GLN 551 2HE2 GLN 551 -6.495 3.804 -0.032
323 H ASP 552 H ASP 552 -4.278 -1.233 4.366
324 HA ASP 552 HA ASP 552 -4.198 -2.129 1.596
325 HB2 ASP 552 2HB ASP 552 -3.692 -4.347 2.595
326 HB3 ASP 552 1HB ASP 552 -2.557 -3.095 3.092
327 H GLY 553 H GLY 553 -6.670 -1.100 3.021
328 HA2 GLY 553 2HA GLY 553 -8.814 -1.913 2.020
329 HA3 GLY 553 1HA GLY 553 -8.358 -3.491 2.645
330 H LEU 554 H LEU 554 -7.230 -2.260 5.094
331 HA LEU 554 HA LEU 554 -9.462 -2.476 6.783
332 HB2 LEU 554 2HB LEU 554 -6.996 -0.912 7.482
333 HB3 LEU 554 1HB LEU 554 -8.010 -1.883 8.539
334 HG LEU 554 HG LEU 554 -6.961 -3.633 6.570
335 HD11 LEU 554 1HD1 LEU 554 -4.516 -3.351 7.145
336 HD12 LEU 554 2HD1 LEU 554 -4.933 -1.737 7.720
337 HD13 LEU 554 3HD1 LEU 554 -5.195 -2.166 6.029
338 HD21 LEU 554 3HD2 LEU 554 -6.850 -3.260 9.499
339 HD22 LEU 554 1HD2 LEU 554 -5.604 -4.283 8.783
340 HD23 LEU 554 2HD2 LEU 554 -7.308 -4.673 8.549
341 H ILE 555 H ILE 555 -7.525 0.385 6.029
342 HA ILE 555 HA ILE 555 -9.427 2.225 7.074
343 HB ILE 555 HB ILE 555 -7.040 2.619 5.292
344 HG12 ILE 555 2HG1 ILE 555 -6.039 1.895 7.213
345 HG13 ILE 555 1HG1 ILE 555 -6.214 3.595 7.629
346 HG21 ILE 555 1HG2 ILE 555 -9.062 4.449 5.880
347 HG22 ILE 555 2HG2 ILE 555 -7.489 4.785 5.155
348 HG23 ILE 555 3HG2 ILE 555 -7.699 4.905 6.902
349 HD11 ILE 555 3HD1 ILE 555 -8.370 2.970 8.769
350 HD12 ILE 555 1HD1 ILE 555 -6.896 2.354 9.513
351 HD13 ILE 555 2HD1 ILE 555 -7.903 1.285 8.537
352 H CYS 556 H CYS 556 -11.193 1.227 5.773
353 HA CYS 556 HA CYS 556 -11.384 1.544 2.985
354 HB2 CYS 556 2HB CYS 556 -13.439 1.170 5.151
355 HB3 CYS 556 1HB CYS 556 -13.898 1.344 3.460
356 H GLY 557 H GLY 557 -11.381 3.913 5.376
357 HA2 GLY 557 2HA GLY 557 -13.328 5.728 4.645
358 HA3 GLY 557 1HA GLY 557 -11.765 6.170 5.302
359 H LEU 558 H LEU 558 -10.812 4.675 2.651
360 HA LEU 558 HA LEU 558 -10.249 7.041 1.210
361 HB2 LEU 558 2HB LEU 558 -9.337 5.481 -0.491
362 HB3 LEU 558 1HB LEU 558 -8.729 5.198 1.131
363 HG LEU 558 HG LEU 558 -10.574 3.396 1.288
364 HD11 LEU 558 1HD1 LEU 558 -10.565 4.031 -1.634
365 HD12 LEU 558 2HD1 LEU 558 -11.929 3.743 -0.553
366 HD13 LEU 558 3HD1 LEU 558 -10.914 2.397 -1.070
367 HD21 LEU 558 3HD2 LEU 558 -8.234 2.997 -0.574
368 HD22 LEU 558 1HD2 LEU 558 -9.103 1.733 0.295
369 HD23 LEU 558 2HD2 LEU 558 -8.168 2.932 1.187
370 H ARG 559 H ARG 559 -13.170 6.452 1.508
371 HA ARG 559 HA ARG 559 -13.953 6.066 -1.286
372 HB2 ARG 559 2HB ARG 559 -16.208 5.726 -0.448
373 HB3 ARG 559 1HB ARG 559 -15.084 4.678 0.404
374 HG2 ARG 559 2HG ARG 559 -15.759 7.319 1.596
375 HG3 ARG 559 1HG ARG 559 -16.936 6.008 1.692
376 HD2 ARG 559 2HD ARG 559 -14.184 5.261 2.388
377 HD3 ARG 559 1HD ARG 559 -14.934 6.423 3.480
378 HE ARG 559 HE ARG 559 -15.591 3.645 3.186
379 HH11 ARG 559 1HH1 ARG 559 -16.810 6.771 4.144
380 HH12 ARG 559 2HH1 ARG 559 -18.022 6.116 5.194
381 HH21 ARG 559 1HH2 ARG 559 -17.181 2.781 4.564
382 HH22 ARG 559 2HH2 ARG 559 -18.233 3.849 5.433
383 H GLN 560 H GLN 560 -16.262 7.397 -1.511
384 HA GLN 560 HA GLN 560 -17.148 9.428 -2.019
385 HB2 GLN 560 2HB GLN 560 -15.615 10.464 0.366
386 HB3 GLN 560 1HB GLN 560 -17.075 11.140 -0.341
387 HG2 GLN 560 2HG GLN 560 -18.433 9.596 0.630
388 HG3 GLN 560 1HG GLN 560 -17.187 8.350 0.654
389 HE21 GLN 560 1HE2 GLN 560 -15.205 9.176 2.051
390 HE22 GLN 560 2HE2 GLN 560 -15.647 9.708 3.635
Start of MODEL 19
1 H1 ALA 507 1HT ALA 507 -14.724 8.368 -3.148
2 H2 ALA 507 2HT ALA 507 -14.155 7.041 -2.221
3 H3 ALA 507 3HT ALA 507 -15.837 7.361 -2.324
4 HA ALA 507 HA ALA 507 -15.830 6.886 -4.633
5 HB1 ALA 507 2HB ALA 507 -13.977 6.665 -5.875
6 HB2 ALA 507 3HB ALA 507 -13.142 5.717 -4.643
7 HB3 ALA 507 1HB ALA 507 -13.175 7.478 -4.530
8 H GLN 508 H GLN 508 -15.110 4.535 -5.518
9 HA GLN 508 HA GLN 508 -15.521 2.604 -3.343
10 HB2 GLN 508 2HB GLN 508 -17.407 3.265 -5.313
11 HB3 GLN 508 1HB GLN 508 -16.728 1.729 -5.830
12 HG2 GLN 508 2HG GLN 508 -17.239 1.560 -3.048
13 HG3 GLN 508 1HG GLN 508 -18.670 2.234 -3.828
14 HE21 GLN 508 1HE2 GLN 508 -16.260 -0.211 -4.737
15 HE22 GLN 508 2HE2 GLN 508 -17.405 -1.449 -5.109
16 HA PRO 509 HA PRO 509 -11.748 1.578 -5.842
17 HB2 PRO 509 2HB PRO 509 -10.915 0.614 -3.166
18 HB3 PRO 509 1HB PRO 509 -10.053 1.654 -4.308
19 HG2 PRO 509 2HG PRO 509 -11.106 2.652 -2.072
20 HG3 PRO 509 1HG PRO 509 -11.142 3.568 -3.591
21 HD2 PRO 509 2HD PRO 509 -13.326 1.994 -2.273
22 HD3 PRO 509 1HD PRO 509 -13.406 3.579 -3.075
23 H LYS 510 H LYS 510 -12.513 -0.409 -3.024
24 HA LYS 510 HA LYS 510 -13.785 -2.539 -4.110
25 HB2 LYS 510 2HB LYS 510 -12.065 -4.191 -4.582
26 HB3 LYS 510 1HB LYS 510 -11.869 -2.797 -5.630
27 HG2 LYS 510 2HG LYS 510 -10.330 -2.576 -3.177
28 HG3 LYS 510 1HG LYS 510 -9.900 -3.992 -4.135
29 HD2 LYS 510 2HD LYS 510 -9.016 -2.753 -5.805
30 HD3 LYS 510 1HD LYS 510 -10.232 -1.484 -5.645
31 HE2 LYS 510 2HE LYS 510 -9.070 -0.417 -3.932
32 HE3 LYS 510 1HE LYS 510 -8.120 -1.853 -3.554
33 HZ1 LYS 510 3HZ LYS 510 -6.734 -1.513 -5.353
34 HZ2 LYS 510 1HZ LYS 510 -7.016 0.070 -4.825
35 HZ3 LYS 510 2HZ LYS 510 -7.841 -0.533 -6.174
36 H CYS 511 H CYS 511 -11.352 -1.398 -1.975
37 HA CYS 511 HA CYS 511 -10.848 -1.786 0.200
38 HB2 CYS 511 2HB CYS 511 -13.747 -2.040 -0.067
39 HB3 CYS 511 1HB CYS 511 -13.103 -2.845 1.360
40 H ASN 512 H ASN 512 -9.344 -3.418 -0.293
41 HA ASN 512 HA ASN 512 -10.265 -6.146 0.332
42 HB2 ASN 512 2HB ASN 512 -8.150 -6.860 -0.890
43 HB3 ASN 512 1HB ASN 512 -9.423 -6.172 -1.894
44 HD21 ASN 512 1HD2 ASN 512 -7.635 -5.859 -3.397
45 HD22 ASN 512 2HD2 ASN 512 -6.669 -4.434 -3.257
46 HA PRO 513 HA PRO 513 -7.590 -4.673 3.842
47 HB2 PRO 513 2HB PRO 513 -9.021 -6.049 5.732
48 HB3 PRO 513 1HB PRO 513 -9.361 -4.385 5.247
49 HG2 PRO 513 2HG PRO 513 -10.697 -6.921 4.406
50 HG3 PRO 513 1HG PRO 513 -11.411 -5.335 4.747
51 HD2 PRO 513 2HD PRO 513 -10.995 -6.249 2.230
52 HD3 PRO 513 1HD PRO 513 -10.916 -4.521 2.644
53 H ASN 514 H ASN 514 -8.422 -7.645 2.424
54 HA ASN 514 HA ASN 514 -6.848 -9.316 4.157
55 HB2 ASN 514 2HB ASN 514 -8.820 -10.213 3.026
56 HB3 ASN 514 1HB ASN 514 -8.108 -9.849 1.458
57 HD21 ASN 514 1HD2 ASN 514 -6.731 -11.297 4.382
58 HD22 ASN 514 2HD2 ASN 514 -6.236 -12.771 3.629
59 H LEU 515 H LEU 515 -6.291 -7.378 1.354
60 HA LEU 515 HA LEU 515 -3.838 -8.770 0.649
61 HB2 LEU 515 2HB LEU 515 -5.123 -6.286 -0.486
62 HB3 LEU 515 1HB LEU 515 -3.658 -7.020 -1.109
63 HG LEU 515 HG LEU 515 -6.427 -8.215 -1.118
64 HD11 LEU 515 1HD1 LEU 515 -4.842 -7.960 -3.581
65 HD12 LEU 515 2HD1 LEU 515 -5.364 -6.439 -2.856
66 HD13 LEU 515 3HD1 LEU 515 -6.557 -7.663 -3.293
67 HD21 LEU 515 3HD2 LEU 515 -4.821 -9.964 -0.640
68 HD22 LEU 515 1HD2 LEU 515 -3.806 -9.433 -1.981
69 HD23 LEU 515 2HD2 LEU 515 -5.402 -10.115 -2.298
70 H HIS 516 H HIS 516 -2.912 -8.359 2.807
71 HA HIS 516 HA HIS 516 -2.158 -5.662 3.481
72 HB2 HIS 516 2HB HIS 516 -1.345 -8.316 4.674
73 HB3 HIS 516 1HB HIS 516 -0.908 -6.745 5.337
74 HD1 HIS 516 1HD HIS 516 -2.966 -5.260 6.204
75 HD2 HIS 516 2HD HIS 516 -3.791 -9.261 5.446
76 HE1 HIS 516 1HE HIS 516 -5.143 -5.728 7.371
77 HE2 HIS 516 2HE HIS 516 -5.664 -8.134 6.828
78 H TYR 517 H TYR 517 -0.950 -7.883 1.294
79 HA TYR 517 HA TYR 517 1.849 -7.374 1.676
80 HB2 TYR 517 2HB TYR 517 0.453 -8.563 -0.727
81 HB3 TYR 517 1HB TYR 517 2.170 -8.667 -0.352
82 HD1 TYR 517 2HD TYR 517 2.184 -9.358 2.482
83 HD2 TYR 517 1HD TYR 517 -0.377 -10.726 -0.628
84 HE1 TYR 517 2HE TYR 517 1.785 -11.437 3.732
85 HE2 TYR 517 1HE TYR 517 -0.783 -12.810 0.614
86 HH TYR 517 HH TYR 517 -0.693 -13.546 3.055
87 H TRP 518 H TRP 518 -0.679 -6.128 -0.457
88 HA TRP 518 HA TRP 518 1.274 -4.218 -1.559
89 HB2 TRP 518 2HB TRP 518 -1.243 -5.405 -2.691
90 HB3 TRP 518 1HB TRP 518 -0.578 -3.907 -3.335
91 HD1 TRP 518 HD TRP 518 1.889 -4.081 -4.498
92 HE1 TRP 518 1HE TRP 518 3.025 -6.059 -5.693
93 HE3 TRP 518 3HE TRP 518 -1.023 -7.886 -2.716
94 HZ2 TRP 518 2HZ TRP 518 2.724 -8.861 -5.859
95 HZ3 TRP 518 3HZ TRP 518 -0.534 -10.186 -3.442
96 HH2 TRP 518 HH TRP 518 1.302 -10.661 -4.981
97 H THR 519 H THR 519 -0.870 -4.293 0.844
98 HA THR 519 HA THR 519 -2.208 -2.812 1.915
99 HB THR 519 HB THR 519 -1.241 -0.723 2.340
100 HG1 THR 519 1HG THR 519 0.199 -0.677 -0.077
101 HG21 THR 519 3HG2 THR 519 1.226 -0.981 2.180
102 HG22 THR 519 1HG2 THR 519 0.963 -2.468 1.269
103 HG23 THR 519 2HG2 THR 519 0.394 -2.340 2.935
104 H THR 520 H THR 520 -1.522 -0.730 -0.915
105 HA THR 520 HA THR 520 -3.889 -1.191 -2.306
106 HB THR 520 HB THR 520 -4.102 0.808 -0.091
107 HG1 THR 520 1HG THR 520 -5.834 -1.050 -1.333
108 HG21 THR 520 3HG2 THR 520 -4.482 2.321 -1.829
109 HG22 THR 520 1HG2 THR 520 -6.086 1.793 -1.314
110 HG23 THR 520 2HG2 THR 520 -5.367 1.132 -2.785
111 H GLN 521 H GLN 521 -2.176 1.717 -1.175
112 HA GLN 521 HA GLN 521 -1.935 2.778 -3.820
113 HB2 GLN 521 2HB GLN 521 -0.543 3.565 -1.254
114 HB3 GLN 521 1HB GLN 521 -0.487 4.482 -2.753
115 HG2 GLN 521 2HG GLN 521 -3.201 4.089 -2.213
116 HG3 GLN 521 1HG GLN 521 -2.459 4.503 -0.668
117 HE21 GLN 521 1HE2 GLN 521 -2.148 6.572 -0.245
118 HE22 GLN 521 2HE2 GLN 521 -2.194 7.859 -1.397
119 H ASP 522 H ASP 522 -0.361 0.386 -2.098
120 HA ASP 522 HA ASP 522 2.138 0.750 -3.476
121 HB2 ASP 522 2HB ASP 522 1.337 -1.378 -1.497
122 HB3 ASP 522 1HB ASP 522 2.954 -1.154 -2.155
123 H GLU 523 H GLU 523 -0.798 -0.723 -4.028
124 HA GLU 523 HA GLU 523 -0.363 -3.166 -5.140
125 HB2 GLU 523 2HB GLU 523 -2.336 -2.841 -6.420
126 HB3 GLU 523 1HB GLU 523 -2.544 -1.900 -4.951
127 HG2 GLU 523 2HG GLU 523 -3.109 -0.212 -6.269
128 HG3 GLU 523 1HG GLU 523 -1.401 -0.101 -6.691
129 H GLY 524 H GLY 524 0.696 -0.096 -6.396
130 HA2 GLY 524 2HA GLY 524 2.724 -0.731 -7.933
131 HA3 GLY 524 1HA GLY 524 1.420 -1.302 -8.962
132 H ALA 525 H ALA 525 1.517 1.581 -6.903
133 HA ALA 525 HA ALA 525 0.909 3.171 -9.286
134 HB1 ALA 525 1HB ALA 525 -0.400 4.495 -8.018
135 HB2 ALA 525 2HB ALA 525 0.707 4.452 -6.645
136 HB3 ALA 525 3HB ALA 525 -0.397 3.107 -6.931
137 H ALA 526 H ALA 526 2.759 3.619 -6.264
138 HA ALA 526 HA ALA 526 4.836 4.954 -7.851
139 HB1 ALA 526 1HB ALA 526 3.325 6.032 -5.553
140 HB2 ALA 526 2HB ALA 526 4.063 6.871 -6.916
141 HB3 ALA 526 3HB ALA 526 5.062 6.335 -5.566
142 H ILE 527 H ILE 527 4.736 2.308 -7.055
143 HA ILE 527 HA ILE 527 6.507 2.089 -4.770
144 HB ILE 527 HB ILE 527 6.127 -0.364 -5.037
145 HG12 ILE 527 2HG1 ILE 527 4.186 -1.017 -6.483
146 HG13 ILE 527 1HG1 ILE 527 4.198 0.598 -7.182
147 HG21 ILE 527 1HG2 ILE 527 3.589 -0.071 -4.500
148 HG22 ILE 527 2HG2 ILE 527 3.969 1.650 -4.599
149 HG23 ILE 527 3HG2 ILE 527 4.803 0.624 -3.426
150 HD11 ILE 527 3HD1 ILE 527 6.740 -0.899 -7.279
151 HD12 ILE 527 1HD1 ILE 527 5.992 0.159 -8.476
152 HD13 ILE 527 2HD1 ILE 527 5.422 -1.499 -8.286
153 H GLY 528 H GLY 528 6.945 2.602 -7.974
154 HA2 GLY 528 2HA GLY 528 8.816 0.705 -8.793
155 HA3 GLY 528 1HA GLY 528 8.717 2.350 -9.397
156 H LEU 529 H LEU 529 9.212 3.058 -6.326
157 HA LEU 529 HA LEU 529 12.118 3.080 -6.692
158 HB2 LEU 529 2HB LEU 529 12.061 4.759 -4.830
159 HB3 LEU 529 1HB LEU 529 11.253 5.243 -6.309
160 HG LEU 529 HG LEU 529 9.415 3.964 -4.456
161 HD11 LEU 529 1HD1 LEU 529 9.372 5.828 -2.832
162 HD12 LEU 529 2HD1 LEU 529 10.880 6.427 -3.524
163 HD13 LEU 529 3HD1 LEU 529 10.838 4.852 -2.731
164 HD21 LEU 529 3HD2 LEU 529 8.300 5.162 -6.021
165 HD22 LEU 529 1HD2 LEU 529 9.583 6.360 -6.180
166 HD23 LEU 529 2HD2 LEU 529 8.469 6.438 -4.816
167 H ALA 530 H ALA 530 9.638 1.940 -4.499
168 HA ALA 530 HA ALA 530 11.686 0.871 -2.686
169 HB1 ALA 530 1HB ALA 530 8.832 0.603 -2.030
170 HB2 ALA 530 2HB ALA 530 9.479 2.244 -2.089
171 HB3 ALA 530 3HB ALA 530 10.198 1.051 -1.009
172 H TRP 531 H TRP 531 10.010 -0.184 -5.319
173 HA TRP 531 HA TRP 531 8.922 -2.622 -4.573
174 HB2 TRP 531 2HB TRP 531 8.802 -1.404 -6.803
175 HB3 TRP 531 1HB TRP 531 10.334 -2.181 -7.184
176 HD1 TRP 531 HD TRP 531 6.714 -3.179 -6.225
177 HE1 TRP 531 1HE TRP 531 6.188 -5.440 -7.335
178 HE3 TRP 531 3HE TRP 531 11.287 -4.150 -8.296
179 HZ2 TRP 531 2HZ TRP 531 7.533 -7.379 -8.883
180 HZ3 TRP 531 3HZ TRP 531 11.583 -6.230 -9.576
181 HH2 TRP 531 HH TRP 531 9.744 -7.810 -9.862
182 H ILE 532 H ILE 532 12.167 -1.724 -4.406
183 HA ILE 532 HA ILE 532 12.904 -4.543 -4.100
184 HB ILE 532 HB ILE 532 15.143 -4.025 -5.069
185 HG12 ILE 532 2HG1 ILE 532 14.581 -1.849 -6.727
186 HG13 ILE 532 1HG1 ILE 532 13.975 -1.355 -5.149
187 HG21 ILE 532 1HG2 ILE 532 12.591 -4.040 -6.567
188 HG22 ILE 532 2HG2 ILE 532 13.941 -5.178 -6.609
189 HG23 ILE 532 3HG2 ILE 532 14.049 -3.648 -7.481
190 HD11 ILE 532 3HD1 ILE 532 16.573 -1.175 -6.051
191 HD12 ILE 532 1HD1 ILE 532 16.594 -2.569 -4.970
192 HD13 ILE 532 2HD1 ILE 532 16.023 -1.006 -4.383
193 HA PRO 533 HA PRO 533 13.642 -2.036 -0.190
194 HB2 PRO 533 2HB PRO 533 13.731 -4.569 1.115
195 HB3 PRO 533 1HB PRO 533 12.451 -3.360 1.194
196 HG2 PRO 533 2HG PRO 533 12.641 -5.804 -0.466
197 HG3 PRO 533 1HG PRO 533 11.204 -4.962 0.139
198 HD2 PRO 533 2HD PRO 533 11.919 -4.851 -2.446
199 HD3 PRO 533 1HD PRO 533 11.197 -3.450 -1.625
200 H TYR 534 H TYR 534 15.747 -1.468 -0.843
201 HA TYR 534 HA TYR 534 17.834 -3.500 -0.592
202 HB2 TYR 534 2HB TYR 534 17.751 -1.909 -2.559
203 HB3 TYR 534 1HB TYR 534 18.166 -0.620 -1.436
204 HD1 TYR 534 2HD TYR 534 19.377 -3.855 -2.805
205 HD2 TYR 534 1HD TYR 534 20.403 -0.217 -0.850
206 HE1 TYR 534 2HE TYR 534 21.763 -4.380 -3.091
207 HE2 TYR 534 1HE TYR 534 22.790 -0.731 -1.132
208 HH TYR 534 HH TYR 534 24.107 -3.229 -1.466
209 H PHE 535 H PHE 535 16.520 -0.747 1.055
210 HA PHE 535 HA PHE 535 18.777 -0.168 2.683
211 HB2 PHE 535 2HB PHE 535 16.085 0.815 2.361
212 HB3 PHE 535 1HB PHE 535 16.462 0.633 4.071
213 HD1 PHE 535 1HD PHE 535 19.112 1.403 4.468
214 HD2 PHE 535 2HD PHE 535 16.353 2.960 1.626
215 HE1 PHE 535 1HE PHE 535 20.365 3.520 4.417
216 HE2 PHE 535 2HE PHE 535 17.603 5.079 1.570
217 HZ PHE 535 HZ PHE 535 19.611 5.362 2.966
218 H GLY 536 H GLY 536 16.022 -2.336 3.019
219 HA2 GLY 536 2HA GLY 536 16.974 -4.292 4.507
220 HA3 GLY 536 1HA GLY 536 16.852 -3.041 5.734
221 HA PRO 537 HA PRO 537 12.581 -3.782 6.503
222 HB2 PRO 537 2HB PRO 537 11.259 -1.470 5.781
223 HB3 PRO 537 1HB PRO 537 12.113 -1.702 7.309
224 HG2 PRO 537 2HG PRO 537 13.033 -0.344 4.810
225 HG3 PRO 537 1HG PRO 537 13.269 0.138 6.500
226 HD2 PRO 537 2HD PRO 537 15.231 -1.025 5.104
227 HD3 PRO 537 1HD PRO 537 14.987 -1.387 6.825
228 H ALA 538 H ALA 538 10.249 -3.082 5.345
229 HA ALA 538 HA ALA 538 10.166 -4.745 3.056
230 HB1 ALA 538 1HB ALA 538 8.205 -4.692 4.353
231 HB2 ALA 538 2HB ALA 538 7.793 -3.851 2.857
232 HB3 ALA 538 3HB ALA 538 8.135 -2.929 4.323
233 H ALA 539 H ALA 539 9.841 -1.237 3.475
234 HA ALA 539 HA ALA 539 10.284 0.510 2.049
235 HB1 ALA 539 1HB ALA 539 12.278 -0.930 1.459
236 HB2 ALA 539 2HB ALA 539 11.749 0.223 0.233
237 HB3 ALA 539 3HB ALA 539 11.333 -1.486 0.075
238 H GLU 540 H GLU 540 9.299 -2.317 0.200
239 HA GLU 540 HA GLU 540 8.076 -1.382 -1.966
240 HB2 GLU 540 2HB GLU 540 7.594 -3.637 -0.148
241 HB3 GLU 540 1HB GLU 540 6.266 -3.269 -1.243
242 HG2 GLU 540 2HG GLU 540 7.954 -3.361 -3.113
243 HG3 GLU 540 1HG GLU 540 9.096 -4.010 -1.935
244 H GLY 541 H GLY 541 6.892 -0.918 1.285
245 HA2 GLY 541 2HA GLY 541 4.621 0.592 0.157
246 HA3 GLY 541 1HA GLY 541 4.458 -0.381 1.612
247 H ILE 542 H ILE 542 6.743 0.235 2.966
248 HA ILE 542 HA ILE 542 6.086 2.779 4.068
249 HB ILE 542 HB ILE 542 8.099 2.391 5.528
250 HG12 ILE 542 2HG1 ILE 542 8.701 -0.203 5.391
251 HG13 ILE 542 1HG1 ILE 542 8.330 0.053 3.692
252 HG21 ILE 542 1HG2 ILE 542 6.900 1.048 6.941
253 HG22 ILE 542 2HG2 ILE 542 6.382 -0.036 5.650
254 HG23 ILE 542 3HG2 ILE 542 5.631 1.550 5.824
255 HD11 ILE 542 3HD1 ILE 542 10.458 1.376 5.336
256 HD12 ILE 542 1HD1 ILE 542 9.974 1.956 3.743
257 HD13 ILE 542 2HD1 ILE 542 10.649 0.338 3.922
258 H TYR 543 H TYR 543 8.401 1.739 1.685
259 HA TYR 543 HA TYR 543 9.669 4.399 1.820
260 HB2 TYR 543 2HB TYR 543 11.121 2.322 2.156
261 HB3 TYR 543 1HB TYR 543 10.851 1.988 0.451
262 HD1 TYR 543 1HD TYR 543 11.671 3.618 -1.262
263 HD2 TYR 543 2HD TYR 543 12.688 3.958 2.854
264 HE1 TYR 543 1HE TYR 543 13.535 5.107 -1.852
265 HE2 TYR 543 2HE TYR 543 14.554 5.451 2.277
266 HH TYR 543 HH TYR 543 14.917 7.118 -0.073
267 H ALA 544 H ALA 544 7.501 2.563 0.112
268 HA ALA 544 HA ALA 544 8.058 3.871 -2.462
269 HB1 ALA 544 1HB ALA 544 7.613 1.814 -3.203
270 HB2 ALA 544 2HB ALA 544 5.924 2.142 -2.810
271 HB3 ALA 544 3HB ALA 544 6.960 1.316 -1.644
272 H GLU 545 H GLU 545 5.734 3.524 0.132
273 HA GLU 545 HA GLU 545 4.066 5.627 -1.099
274 HB2 GLU 545 2HB GLU 545 2.772 3.633 -1.003
275 HB3 GLU 545 1HB GLU 545 3.322 3.269 0.627
276 HG2 GLU 545 2HG GLU 545 1.042 4.045 0.684
277 HG3 GLU 545 1HG GLU 545 2.098 5.229 1.460
278 H GLY 546 H GLY 546 5.609 4.434 1.796
279 HA2 GLY 546 2HA GLY 546 5.826 5.306 3.919
280 HA3 GLY 546 1HA GLY 546 6.338 6.707 2.997
281 H LEU 547 H LEU 547 3.075 5.277 3.481
282 HA LEU 547 HA LEU 547 2.216 7.138 5.350
283 HB2 LEU 547 2HB LEU 547 1.920 9.028 4.242
284 HB3 LEU 547 1HB LEU 547 2.535 8.270 2.790
285 HG LEU 547 HG LEU 547 -0.314 7.739 3.314
286 HD11 LEU 547 1HD1 LEU 547 -1.169 9.829 3.141
287 HD12 LEU 547 2HD1 LEU 547 0.227 10.448 2.258
288 HD13 LEU 547 3HD1 LEU 547 0.318 10.222 4.005
289 HD21 LEU 547 3HD2 LEU 547 1.503 7.737 1.161
290 HD22 LEU 547 1HD2 LEU 547 0.307 8.986 0.815
291 HD23 LEU 547 2HD2 LEU 547 -0.212 7.333 1.130
292 H MET 548 H MET 548 0.801 5.828 2.336
293 HA MET 548 HA MET 548 -1.460 4.854 3.903
294 HB2 MET 548 2HB MET 548 -1.058 5.630 1.115
295 HB3 MET 548 1HB MET 548 -1.952 4.126 1.284
296 HG2 MET 548 2HG MET 548 -3.664 5.626 1.311
297 HG3 MET 548 1HG MET 548 -3.329 5.509 3.036
298 HE1 MET 548 3HE MET 548 -3.701 7.533 4.286
299 HE2 MET 548 1HE MET 548 -2.691 8.967 4.103
300 HE3 MET 548 2HE MET 548 -1.947 7.398 4.406
301 H HIS 549 H HIS 549 1.430 3.685 3.519
302 HA HIS 549 HA HIS 549 1.173 1.182 2.291
303 HB2 HIS 549 2HB HIS 549 3.162 0.549 3.647
304 HB3 HIS 549 1HB HIS 549 3.353 2.085 2.810
305 HD1 HIS 549 1HD HIS 549 2.258 0.920 6.268
306 HD2 HIS 549 2HD HIS 549 4.316 4.023 4.423
307 HE1 HIS 549 1HE HIS 549 3.079 2.386 8.138
308 HE2 HIS 549 2HE HIS 549 4.397 4.209 7.002
309 H ASN 550 H ASN 550 -0.286 2.332 5.113
310 HA ASN 550 HA ASN 550 -0.459 -0.303 6.324
311 HB2 ASN 550 2HB ASN 550 -1.019 2.478 7.229
312 HB3 ASN 550 1HB ASN 550 -1.904 1.167 8.006
313 HD21 ASN 550 1HD2 ASN 550 -0.793 1.823 9.937
314 HD22 ASN 550 2HD2 ASN 550 0.817 1.268 10.232
315 H GLN 551 H GLN 551 -2.544 2.116 4.867
316 HA GLN 551 HA GLN 551 -5.008 0.887 5.365
317 HB2 GLN 551 2HB GLN 551 -5.846 2.224 3.464
318 HB3 GLN 551 1HB GLN 551 -4.874 3.179 4.575
319 HG2 GLN 551 2HG GLN 551 -3.270 3.571 3.048
320 HG3 GLN 551 1HG GLN 551 -3.419 1.976 2.319
321 HE21 GLN 551 1HE2 GLN 551 -3.358 2.884 0.247
322 HE22 GLN 551 2HE2 GLN 551 -4.721 3.708 -0.422
323 H ASP 552 H ASP 552 -4.237 -1.350 5.055
324 HA ASP 552 HA ASP 552 -3.863 -2.260 2.345
325 HB2 ASP 552 2HB ASP 552 -4.142 -3.869 4.885
326 HB3 ASP 552 1HB ASP 552 -3.576 -4.468 3.330
327 H GLY 553 H GLY 553 -6.499 -1.092 3.303
328 HA2 GLY 553 2HA GLY 553 -8.491 -1.700 1.991
329 HA3 GLY 553 1HA GLY 553 -8.182 -3.364 2.462
330 H LEU 554 H LEU 554 -7.541 -1.156 4.931
331 HA LEU 554 HA LEU 554 -10.040 -1.880 6.294
332 HB2 LEU 554 2HB LEU 554 -7.645 -0.642 7.604
333 HB3 LEU 554 1HB LEU 554 -8.898 -1.640 8.325
334 HG LEU 554 HG LEU 554 -7.297 -3.018 6.280
335 HD11 LEU 554 1HD1 LEU 554 -5.633 -1.505 7.408
336 HD12 LEU 554 2HD1 LEU 554 -5.302 -3.232 7.535
337 HD13 LEU 554 3HD1 LEU 554 -5.989 -2.364 8.907
338 HD21 LEU 554 3HD2 LEU 554 -7.581 -3.939 9.085
339 HD22 LEU 554 1HD2 LEU 554 -7.706 -4.842 7.576
340 HD23 LEU 554 2HD2 LEU 554 -9.045 -3.825 8.108
341 H ILE 555 H ILE 555 -7.765 0.788 5.894
342 HA ILE 555 HA ILE 555 -9.589 2.758 6.893
343 HB ILE 555 HB ILE 555 -6.885 2.926 5.578
344 HG12 ILE 555 2HG1 ILE 555 -6.337 2.200 7.651
345 HG13 ILE 555 1HG1 ILE 555 -6.549 3.895 8.073
346 HG21 ILE 555 1HG2 ILE 555 -7.043 5.322 6.678
347 HG22 ILE 555 2HG2 ILE 555 -8.766 5.079 6.391
348 HG23 ILE 555 3HG2 ILE 555 -7.631 5.018 5.043
349 HD11 ILE 555 3HD1 ILE 555 -8.619 1.728 8.382
350 HD12 ILE 555 1HD1 ILE 555 -8.831 3.426 8.808
351 HD13 ILE 555 2HD1 ILE 555 -7.653 2.440 9.678
352 H CYS 556 H CYS 556 -9.507 1.119 4.052
353 HA CYS 556 HA CYS 556 -9.916 3.170 2.138
354 HB2 CYS 556 2HB CYS 556 -10.797 1.340 0.721
355 HB3 CYS 556 1HB CYS 556 -9.249 0.934 1.455
356 H GLY 557 H GLY 557 -11.804 2.199 4.731
357 HA2 GLY 557 2HA GLY 557 -14.401 2.113 3.750
358 HA3 GLY 557 1HA GLY 557 -13.957 2.663 5.354
359 H LEU 558 H LEU 558 -12.330 4.768 3.522
360 HA LEU 558 HA LEU 558 -13.782 6.992 4.083
361 HB2 LEU 558 2HB LEU 558 -12.698 7.916 1.886
362 HB3 LEU 558 1HB LEU 558 -11.713 7.515 3.279
363 HG LEU 558 HG LEU 558 -11.952 5.186 1.632
364 HD11 LEU 558 1HD1 LEU 558 -11.199 5.842 -0.454
365 HD12 LEU 558 2HD1 LEU 558 -10.690 7.432 0.116
366 HD13 LEU 558 3HD1 LEU 558 -12.407 7.069 -0.072
367 HD21 LEU 558 3HD2 LEU 558 -9.632 5.137 1.819
368 HD22 LEU 558 1HD2 LEU 558 -10.150 5.963 3.287
369 HD23 LEU 558 2HD2 LEU 558 -9.507 6.893 1.933
370 H ARG 559 H ARG 559 -13.720 5.801 0.729
371 HA ARG 559 HA ARG 559 -15.240 6.029 -0.971
372 HB2 ARG 559 2HB ARG 559 -17.077 5.172 1.275
373 HB3 ARG 559 1HB ARG 559 -17.507 5.157 -0.428
374 HG2 ARG 559 2HG ARG 559 -16.858 3.015 -0.291
375 HG3 ARG 559 1HG ARG 559 -15.248 3.706 -0.512
376 HD2 ARG 559 2HD ARG 559 -14.663 3.393 1.666
377 HD3 ARG 559 1HD ARG 559 -16.319 3.538 2.249
378 HE ARG 559 HE ARG 559 -14.982 1.135 1.371
379 HH11 ARG 559 1HH1 ARG 559 -18.054 2.668 1.999
380 HH12 ARG 559 2HH1 ARG 559 -18.894 1.172 2.224
381 HH21 ARG 559 1HH2 ARG 559 -16.087 -0.832 1.667
382 HH22 ARG 559 2HH2 ARG 559 -17.779 -0.815 2.036
383 H GLN 560 H GLN 560 -17.766 6.856 -1.256
384 HA GLN 560 HA GLN 560 -18.725 8.888 -1.807
385 HB2 GLN 560 2HB GLN 560 -20.030 9.714 0.050
386 HB3 GLN 560 1HB GLN 560 -19.964 7.958 0.113
387 HG2 GLN 560 2HG GLN 560 -17.867 8.579 1.689
388 HG3 GLN 560 1HG GLN 560 -18.914 9.965 1.985
389 HE21 GLN 560 1HE2 GLN 560 -18.233 6.792 2.799
390 HE22 GLN 560 2HE2 GLN 560 -19.663 6.440 3.701
Start of MODEL 20
1 H1 ALA 507 1HT ALA 507 -18.622 6.551 -2.117
2 H2 ALA 507 2HT ALA 507 -18.234 5.094 -1.295
3 H3 ALA 507 3HT ALA 507 -19.549 5.136 -2.397
4 HA ALA 507 HA ALA 507 -18.161 5.400 -4.215
5 HB1 ALA 507 2HB ALA 507 -15.933 5.969 -4.159
6 HB2 ALA 507 3HB ALA 507 -15.709 5.365 -2.517
7 HB3 ALA 507 1HB ALA 507 -16.565 6.884 -2.790
8 H GLN 508 H GLN 508 -16.339 3.822 -4.945
9 HA GLN 508 HA GLN 508 -16.609 1.292 -3.479
10 HB2 GLN 508 2HB GLN 508 -17.533 1.919 -6.164
11 HB3 GLN 508 1HB GLN 508 -16.420 0.558 -6.160
12 HG2 GLN 508 2HG GLN 508 -18.590 0.563 -4.143
13 HG3 GLN 508 1HG GLN 508 -19.026 0.262 -5.825
14 HE21 GLN 508 1HE2 GLN 508 -16.283 -0.664 -3.770
15 HE22 GLN 508 2HE2 GLN 508 -16.403 -2.360 -4.079
16 HA PRO 509 HA PRO 509 -12.154 2.160 -4.361
17 HB2 PRO 509 2HB PRO 509 -11.754 1.145 -1.648
18 HB3 PRO 509 1HB PRO 509 -11.295 2.706 -2.334
19 HG2 PRO 509 2HG PRO 509 -13.256 2.447 -0.491
20 HG3 PRO 509 1HG PRO 509 -13.282 3.698 -1.746
21 HD2 PRO 509 2HD PRO 509 -14.753 1.091 -1.636
22 HD3 PRO 509 1HD PRO 509 -15.325 2.686 -2.171
23 H LYS 510 H LYS 510 -12.953 -0.414 -2.059
24 HA LYS 510 HA LYS 510 -12.829 -2.608 -3.688
25 HB2 LYS 510 2HB LYS 510 -10.595 -3.462 -3.520
26 HB3 LYS 510 1HB LYS 510 -10.513 -1.841 -4.183
27 HG2 LYS 510 2HG LYS 510 -10.295 -1.624 -1.369
28 HG3 LYS 510 1HG LYS 510 -9.202 -2.899 -1.902
29 HD2 LYS 510 2HD LYS 510 -7.775 -1.234 -2.358
30 HD3 LYS 510 1HD LYS 510 -8.783 -0.946 -3.778
31 HE2 LYS 510 2HE LYS 510 -9.847 0.860 -2.821
32 HE3 LYS 510 1HE LYS 510 -9.535 0.305 -1.177
33 HZ1 LYS 510 3HZ LYS 510 -7.136 0.804 -1.623
34 HZ2 LYS 510 1HZ LYS 510 -8.147 2.159 -1.558
35 HZ3 LYS 510 2HZ LYS 510 -7.619 1.569 -3.052
36 H CYS 511 H CYS 511 -12.031 -1.225 -0.636
37 HA CYS 511 HA CYS 511 -12.090 -2.003 1.517
38 HB2 CYS 511 2HB CYS 511 -14.632 -2.297 0.219
39 HB3 CYS 511 1HB CYS 511 -14.451 -3.557 1.434
40 H ASN 512 H ASN 512 -10.426 -3.625 -0.017
41 HA ASN 512 HA ASN 512 -11.039 -6.338 0.943
42 HB2 ASN 512 2HB ASN 512 -10.159 -5.431 -1.564
43 HB3 ASN 512 1HB ASN 512 -8.755 -6.199 -0.830
44 HD21 ASN 512 1HD2 ASN 512 -11.699 -6.667 -2.418
45 HD22 ASN 512 2HD2 ASN 512 -11.772 -8.389 -2.296
46 HA PRO 513 HA PRO 513 -7.706 -4.893 3.786
47 HB2 PRO 513 2HB PRO 513 -8.631 -6.224 5.955
48 HB3 PRO 513 1HB PRO 513 -9.241 -4.636 5.476
49 HG2 PRO 513 2HG PRO 513 -10.421 -7.344 4.995
50 HG3 PRO 513 1HG PRO 513 -11.227 -5.843 5.490
51 HD2 PRO 513 2HD PRO 513 -11.253 -6.757 2.934
52 HD3 PRO 513 1HD PRO 513 -11.305 -5.029 3.337
53 H ASN 514 H ASN 514 -8.654 -7.859 2.474
54 HA ASN 514 HA ASN 514 -6.940 -9.599 3.935
55 HB2 ASN 514 2HB ASN 514 -8.857 -10.485 2.738
56 HB3 ASN 514 1HB ASN 514 -8.222 -9.886 1.209
57 HD21 ASN 514 1HD2 ASN 514 -7.803 -12.229 3.766
58 HD22 ASN 514 2HD2 ASN 514 -6.817 -13.325 2.865
59 H LEU 515 H LEU 515 -6.506 -7.492 1.195
60 HA LEU 515 HA LEU 515 -3.918 -8.668 0.549
61 HB2 LEU 515 2HB LEU 515 -5.347 -6.317 -0.695
62 HB3 LEU 515 1HB LEU 515 -3.880 -7.062 -1.301
63 HG LEU 515 HG LEU 515 -6.591 -8.381 -1.142
64 HD11 LEU 515 1HD1 LEU 515 -6.249 -6.577 -2.878
65 HD12 LEU 515 2HD1 LEU 515 -6.705 -8.167 -3.490
66 HD13 LEU 515 3HD1 LEU 515 -5.029 -7.627 -3.597
67 HD21 LEU 515 3HD2 LEU 515 -3.869 -9.401 -1.681
68 HD22 LEU 515 1HD2 LEU 515 -5.154 -9.965 -2.750
69 HD23 LEU 515 2HD2 LEU 515 -5.280 -10.221 -1.010
70 H HIS 516 H HIS 516 -3.151 -8.062 2.758
71 HA HIS 516 HA HIS 516 -2.609 -5.251 3.192
72 HB2 HIS 516 2HB HIS 516 -1.464 -6.105 5.278
73 HB3 HIS 516 1HB HIS 516 -3.186 -6.444 5.159
74 HD1 HIS 516 1HD HIS 516 0.124 -8.077 5.385
75 HD2 HIS 516 2HD HIS 516 -3.820 -9.184 4.691
76 HE1 HIS 516 1HE HIS 516 0.067 -10.575 5.668
77 HE2 HIS 516 2HE HIS 516 -2.348 -11.209 5.343
78 H TYR 517 H TYR 517 -1.130 -7.682 1.454
79 HA TYR 517 HA TYR 517 1.600 -6.924 2.021
80 HB2 TYR 517 2HB TYR 517 0.487 -8.723 -0.140
81 HB3 TYR 517 1HB TYR 517 2.187 -8.550 0.279
82 HD1 TYR 517 2HD TYR 517 2.533 -8.857 2.992
83 HD2 TYR 517 1HD TYR 517 -0.492 -10.659 0.605
84 HE1 TYR 517 2HE TYR 517 2.310 -10.663 4.647
85 HE2 TYR 517 1HE TYR 517 -0.723 -12.470 2.252
86 HH TYR 517 HH TYR 517 1.366 -13.319 4.356
87 H TRP 518 H TRP 518 -0.889 -5.899 -0.123
88 HA TRP 518 HA TRP 518 1.101 -4.423 -1.720
89 HB2 TRP 518 2HB TRP 518 -1.549 -5.614 -2.493
90 HB3 TRP 518 1HB TRP 518 -0.807 -4.332 -3.446
91 HD1 TRP 518 HD TRP 518 1.871 -4.982 -4.232
92 HE1 TRP 518 1HE TRP 518 2.685 -7.224 -5.198
93 HE3 TRP 518 3HE TRP 518 -1.915 -8.000 -2.587
94 HZ2 TRP 518 2HZ TRP 518 1.836 -9.916 -5.256
95 HZ3 TRP 518 3HZ TRP 518 -1.839 -10.395 -3.142
96 HH2 TRP 518 HH TRP 518 -0.002 -11.333 -4.449
97 H THR 519 H THR 519 -1.458 -4.097 0.489
98 HA THR 519 HA THR 519 -2.627 -2.329 1.294
99 HB THR 519 HB THR 519 -1.443 -0.374 1.671
100 HG1 THR 519 1HG THR 519 -0.946 0.718 -0.037
101 HG21 THR 519 3HG2 THR 519 0.967 -0.825 1.727
102 HG22 THR 519 1HG2 THR 519 0.703 -2.289 0.780
103 HG23 THR 519 2HG2 THR 519 0.010 -2.145 2.397
104 H THR 520 H THR 520 -1.387 -0.693 -1.635
105 HA THR 520 HA THR 520 -3.610 -1.068 -3.262
106 HB THR 520 HB THR 520 -3.859 1.181 -1.308
107 HG1 THR 520 1HG THR 520 -5.687 -0.543 -2.619
108 HG21 THR 520 3HG2 THR 520 -4.407 1.420 -4.193
109 HG22 THR 520 1HG2 THR 520 -4.044 2.660 -2.991
110 HG23 THR 520 2HG2 THR 520 -5.670 1.982 -3.093
111 H GLN 521 H GLN 521 -1.742 1.768 -2.215
112 HA GLN 521 HA GLN 521 -1.049 2.457 -4.913
113 HB2 GLN 521 2HB GLN 521 0.167 3.525 -2.366
114 HB3 GLN 521 1HB GLN 521 0.186 4.286 -3.951
115 HG2 GLN 521 2HG GLN 521 -2.469 4.051 -3.564
116 HG3 GLN 521 1HG GLN 521 -1.920 4.232 -1.899
117 HE21 GLN 521 1HE2 GLN 521 -2.065 6.244 -1.247
118 HE22 GLN 521 2HE2 GLN 521 -1.740 7.655 -2.191
119 H ASP 522 H ASP 522 0.040 0.235 -2.676
120 HA ASP 522 HA ASP 522 2.735 0.235 -3.719
121 HB2 ASP 522 2HB ASP 522 1.549 -1.494 -1.548
122 HB3 ASP 522 1HB ASP 522 3.250 -1.420 -1.994
123 H GLU 523 H GLU 523 -0.238 -1.104 -4.303
124 HA GLU 523 HA GLU 523 0.129 -3.718 -5.063
125 HB2 GLU 523 2HB GLU 523 -1.494 -1.547 -6.399
126 HB3 GLU 523 1HB GLU 523 -1.715 -3.274 -6.679
127 HG2 GLU 523 2HG GLU 523 -1.852 -2.297 -3.892
128 HG3 GLU 523 1HG GLU 523 -3.174 -1.870 -4.975
129 H GLY 524 H GLY 524 1.297 -0.833 -6.518
130 HA2 GLY 524 2HA GLY 524 3.351 -1.462 -7.956
131 HA3 GLY 524 1HA GLY 524 2.120 -2.225 -8.960
132 H ALA 525 H ALA 525 1.798 0.740 -7.126
133 HA ALA 525 HA ALA 525 1.256 2.177 -9.622
134 HB1 ALA 525 1HB ALA 525 -0.549 2.995 -8.608
135 HB2 ALA 525 2HB ALA 525 0.415 3.574 -7.249
136 HB3 ALA 525 3HB ALA 525 -0.208 1.920 -7.248
137 H ALA 526 H ALA 526 2.910 2.470 -6.501
138 HA ALA 526 HA ALA 526 4.725 4.414 -7.721
139 HB1 ALA 526 1HB ALA 526 4.090 4.929 -4.893
140 HB2 ALA 526 2HB ALA 526 2.798 5.286 -6.040
141 HB3 ALA 526 3HB ALA 526 4.374 6.061 -6.216
142 H ILE 527 H ILE 527 5.171 1.751 -7.451
143 HA ILE 527 HA ILE 527 6.804 1.375 -5.078
144 HB ILE 527 HB ILE 527 6.980 -0.979 -5.884
145 HG12 ILE 527 2HG1 ILE 527 5.393 -1.695 -7.655
146 HG13 ILE 527 1HG1 ILE 527 4.997 -0.011 -7.974
147 HG21 ILE 527 1HG2 ILE 527 5.354 -0.658 -4.272
148 HG22 ILE 527 2HG2 ILE 527 4.418 -1.350 -5.597
149 HG23 ILE 527 3HG2 ILE 527 4.391 0.394 -5.311
150 HD11 ILE 527 3HD1 ILE 527 6.937 0.371 -9.086
151 HD12 ILE 527 1HD1 ILE 527 6.742 -1.349 -9.426
152 HD13 ILE 527 2HD1 ILE 527 7.842 -0.820 -8.153
153 H GLY 528 H GLY 528 7.241 2.476 -8.206
154 HA2 GLY 528 2HA GLY 528 9.585 1.279 -9.076
155 HA3 GLY 528 1HA GLY 528 9.103 2.922 -9.457
156 H LEU 529 H LEU 529 9.228 3.341 -6.337
157 HA LEU 529 HA LEU 529 12.068 4.048 -6.406
158 HB2 LEU 529 2HB LEU 529 11.410 5.377 -4.318
159 HB3 LEU 529 1HB LEU 529 10.826 5.935 -5.873
160 HG LEU 529 HG LEU 529 9.031 4.119 -4.372
161 HD11 LEU 529 1HD1 LEU 529 9.696 6.911 -3.478
162 HD12 LEU 529 2HD1 LEU 529 9.682 5.430 -2.522
163 HD13 LEU 529 3HD1 LEU 529 8.165 6.123 -3.095
164 HD21 LEU 529 3HD2 LEU 529 7.910 4.826 -6.194
165 HD22 LEU 529 1HD2 LEU 529 8.886 6.284 -6.361
166 HD23 LEU 529 2HD2 LEU 529 7.569 6.234 -5.188
167 H ALA 530 H ALA 530 9.752 2.188 -4.531
168 HA ALA 530 HA ALA 530 11.881 1.366 -2.681
169 HB1 ALA 530 1HB ALA 530 9.514 2.243 -2.023
170 HB2 ALA 530 2HB ALA 530 10.271 0.932 -1.122
171 HB3 ALA 530 3HB ALA 530 9.042 0.573 -2.338
172 H TRP 531 H TRP 531 10.660 0.292 -5.521
173 HA TRP 531 HA TRP 531 10.009 -2.373 -5.132
174 HB2 TRP 531 2HB TRP 531 9.728 -1.128 -7.231
175 HB3 TRP 531 1HB TRP 531 11.470 -1.168 -7.477
176 HD1 TRP 531 HD TRP 531 8.861 -3.948 -6.677
177 HE1 TRP 531 1HE TRP 531 9.263 -5.896 -8.309
178 HE3 TRP 531 3HE TRP 531 12.737 -1.971 -9.363
179 HZ2 TRP 531 2HZ TRP 531 10.992 -6.513 -10.454
180 HZ3 TRP 531 3HZ TRP 531 13.706 -3.306 -11.189
181 HH2 TRP 531 HH TRP 531 12.852 -5.529 -11.721
182 H ILE 532 H ILE 532 12.997 -0.886 -4.570
183 HA ILE 532 HA ILE 532 14.278 -3.525 -4.443
184 HB ILE 532 HB ILE 532 16.422 -2.473 -5.077
185 HG12 ILE 532 2HG1 ILE 532 15.594 -0.154 -6.420
186 HG13 ILE 532 1HG1 ILE 532 14.814 -0.063 -4.846
187 HG21 ILE 532 1HG2 ILE 532 14.064 -2.656 -6.852
188 HG22 ILE 532 2HG2 ILE 532 15.611 -3.507 -6.924
189 HG23 ILE 532 3HG2 ILE 532 15.488 -1.849 -7.514
190 HD11 ILE 532 3HD1 ILE 532 16.701 0.676 -3.983
191 HD12 ILE 532 1HD1 ILE 532 17.504 0.506 -5.544
192 HD13 ILE 532 2HD1 ILE 532 17.488 -0.845 -4.410
193 HA PRO 533 HA PRO 533 14.141 -1.437 -0.248
194 HB2 PRO 533 2HB PRO 533 14.310 -3.969 0.947
195 HB3 PRO 533 1HB PRO 533 12.848 -3.007 0.734
196 HG2 PRO 533 2HG PRO 533 13.891 -5.262 -0.906
197 HG3 PRO 533 1HG PRO 533 12.214 -4.823 -0.531
198 HD2 PRO 533 2HD PRO 533 13.284 -4.328 -2.937
199 HD3 PRO 533 1HD PRO 533 12.141 -3.195 -2.184
200 H TYR 534 H TYR 534 16.220 -0.589 -0.473
201 HA TYR 534 HA TYR 534 18.482 -2.410 -0.128
202 HB2 TYR 534 2HB TYR 534 18.169 -0.185 -1.707
203 HB3 TYR 534 1HB TYR 534 19.061 0.461 -0.333
204 HD1 TYR 534 2HD TYR 534 21.127 -1.052 0.412
205 HD2 TYR 534 1HD TYR 534 19.379 -1.050 -3.468
206 HE1 TYR 534 2HE TYR 534 23.218 -1.946 -0.525
207 HE2 TYR 534 1HE TYR 534 21.465 -1.946 -4.414
208 HH TYR 534 HH TYR 534 23.570 -3.457 -3.124
209 H PHE 535 H PHE 535 16.502 -0.295 1.680
210 HA PHE 535 HA PHE 535 18.433 0.434 3.662
211 HB2 PHE 535 2HB PHE 535 15.754 1.135 3.023
212 HB3 PHE 535 1HB PHE 535 15.770 0.582 4.695
213 HD1 PHE 535 1HD PHE 535 18.241 2.503 2.668
214 HD2 PHE 535 2HD PHE 535 15.699 2.413 6.080
215 HE1 PHE 535 1HE PHE 535 19.118 4.690 3.375
216 HE2 PHE 535 2HE PHE 535 16.571 4.601 6.792
217 HZ PHE 535 HZ PHE 535 18.283 5.742 5.438
218 H GLY 536 H GLY 536 16.068 -2.150 3.299
219 HA2 GLY 536 2HA GLY 536 17.104 -4.167 4.605
220 HA3 GLY 536 1HA GLY 536 16.719 -3.146 5.981
221 HA PRO 537 HA PRO 537 12.527 -4.474 6.202
222 HB2 PRO 537 2HB PRO 537 10.985 -2.248 5.664
223 HB3 PRO 537 1HB PRO 537 11.728 -2.602 7.227
224 HG2 PRO 537 2HG PRO 537 12.677 -0.795 5.043
225 HG3 PRO 537 1HG PRO 537 12.703 -0.543 6.798
226 HD2 PRO 537 2HD PRO 537 14.910 -1.255 5.467
227 HD3 PRO 537 1HD PRO 537 14.568 -1.893 7.089
228 H ALA 538 H ALA 538 10.233 -3.910 4.929
229 HA ALA 538 HA ALA 538 10.512 -5.243 2.465
230 HB1 ALA 538 1HB ALA 538 8.204 -3.700 3.633
231 HB2 ALA 538 2HB ALA 538 8.448 -5.447 3.632
232 HB3 ALA 538 3HB ALA 538 8.110 -4.602 2.120
233 H ALA 539 H ALA 539 9.796 -1.851 3.219
234 HA ALA 539 HA ALA 539 10.184 0.087 2.054
235 HB1 ALA 539 1HB ALA 539 11.731 -1.509 0.048
236 HB2 ALA 539 2HB ALA 539 12.401 -1.072 1.624
237 HB3 ALA 539 3HB ALA 539 11.921 0.190 0.487
238 H GLU 540 H GLU 540 9.913 -2.521 -0.291
239 HA GLU 540 HA GLU 540 8.848 -1.408 -2.457
240 HB2 GLU 540 2HB GLU 540 8.413 -3.993 -1.091
241 HB3 GLU 540 1HB GLU 540 7.316 -3.605 -2.411
242 HG2 GLU 540 2HG GLU 540 9.959 -3.036 -3.266
243 HG3 GLU 540 1HG GLU 540 9.955 -4.633 -2.521
244 H GLY 541 H GLY 541 7.130 -1.783 0.584
245 HA2 GLY 541 2HA GLY 541 4.813 -0.463 -0.682
246 HA3 GLY 541 1HA GLY 541 4.637 -1.680 0.569
247 H ILE 542 H ILE 542 6.981 -0.499 2.034
248 HA ILE 542 HA ILE 542 5.452 1.583 3.387
249 HB ILE 542 HB ILE 542 7.228 1.344 5.182
250 HG12 ILE 542 2HG1 ILE 542 8.214 -1.103 5.020
251 HG13 ILE 542 1HG1 ILE 542 8.071 -0.817 3.292
252 HG21 ILE 542 1HG2 ILE 542 5.391 -0.918 4.445
253 HG22 ILE 542 2HG2 ILE 542 5.086 0.420 5.553
254 HG23 ILE 542 3HG2 ILE 542 6.249 -0.834 5.984
255 HD11 ILE 542 3HD1 ILE 542 10.279 -0.257 3.963
256 HD12 ILE 542 1HD1 ILE 542 9.683 0.761 5.275
257 HD13 ILE 542 2HD1 ILE 542 9.432 1.244 3.597
258 H TYR 543 H TYR 543 8.256 1.249 1.395
259 HA TYR 543 HA TYR 543 9.096 3.983 2.100
260 HB2 TYR 543 2HB TYR 543 10.717 1.909 2.114
261 HB3 TYR 543 1HB TYR 543 10.755 2.181 0.375
262 HD1 TYR 543 2HD TYR 543 11.423 4.522 -0.436
263 HD2 TYR 543 1HD TYR 543 12.074 3.162 3.543
264 HE1 TYR 543 2HE TYR 543 13.125 6.271 -0.122
265 HE2 TYR 543 1HE TYR 543 13.776 4.906 3.866
266 HH TYR 543 HH TYR 543 14.432 7.033 2.957
267 H ALA 544 H ALA 544 7.506 2.128 -0.205
268 HA ALA 544 HA ALA 544 8.084 3.896 -2.449
269 HB1 ALA 544 1HB ALA 544 6.096 2.109 -3.201
270 HB2 ALA 544 2HB ALA 544 7.112 1.194 -2.084
271 HB3 ALA 544 3HB ALA 544 7.827 1.953 -3.508
272 H GLU 545 H GLU 545 5.756 3.400 0.045
273 HA GLU 545 HA GLU 545 3.920 5.304 -1.267
274 HB2 GLU 545 2HB GLU 545 2.827 3.194 -1.035
275 HB3 GLU 545 1HB GLU 545 3.379 3.015 0.626
276 HG2 GLU 545 2HG GLU 545 1.011 3.599 0.501
277 HG3 GLU 545 1HG GLU 545 1.954 4.850 1.319
278 H GLY 546 H GLY 546 5.556 4.397 1.680
279 HA2 GLY 546 2HA GLY 546 5.676 5.390 3.762
280 HA3 GLY 546 1HA GLY 546 6.174 6.736 2.758
281 H LEU 547 H LEU 547 2.880 5.348 3.092
282 HA LEU 547 HA LEU 547 1.945 7.212 4.927
283 HB2 LEU 547 2HB LEU 547 1.800 9.125 3.832
284 HB3 LEU 547 1HB LEU 547 2.505 8.363 2.423
285 HG LEU 547 HG LEU 547 -0.407 7.960 2.717
286 HD11 LEU 547 1HD1 LEU 547 0.819 10.675 2.442
287 HD12 LEU 547 2HD1 LEU 547 -0.543 10.162 3.438
288 HD13 LEU 547 3HD1 LEU 547 -0.729 10.292 1.689
289 HD21 LEU 547 3HD2 LEU 547 -0.307 7.787 0.471
290 HD22 LEU 547 1HD2 LEU 547 1.417 7.557 0.767
291 HD23 LEU 547 2HD2 LEU 547 0.803 9.147 0.312
292 H MET 548 H MET 548 0.696 6.009 1.793
293 HA MET 548 HA MET 548 -1.721 5.132 3.183
294 HB2 MET 548 2HB MET 548 -1.097 5.997 0.492
295 HB3 MET 548 1HB MET 548 -1.957 4.462 0.475
296 HG2 MET 548 2HG MET 548 -3.777 5.756 0.527
297 HG3 MET 548 1HG MET 548 -3.440 5.857 2.254
298 HE1 MET 548 3HE MET 548 -4.864 9.204 1.005
299 HE2 MET 548 1HE MET 548 -4.453 8.798 2.671
300 HE3 MET 548 2HE MET 548 -5.199 7.589 1.626
301 H HIS 549 H HIS 549 1.125 3.832 3.003
302 HA HIS 549 HA HIS 549 0.823 1.340 1.748
303 HB2 HIS 549 2HB HIS 549 2.770 0.653 3.017
304 HB3 HIS 549 1HB HIS 549 2.994 2.310 2.465
305 HD1 HIS 549 1HD HIS 549 3.789 3.877 4.200
306 HD2 HIS 549 2HD HIS 549 1.807 0.621 5.853
307 HE1 HIS 549 1HE HIS 549 3.990 4.162 6.691
308 HE2 HIS 549 2HE HIS 549 2.854 2.138 7.668
309 H ASN 550 H ASN 550 -0.716 2.572 4.487
310 HA ASN 550 HA ASN 550 -1.049 -0.044 5.708
311 HB2 ASN 550 2HB ASN 550 -1.538 2.771 6.568
312 HB3 ASN 550 1HB ASN 550 -2.454 1.483 7.350
313 HD21 ASN 550 1HD2 ASN 550 -0.163 3.359 8.124
314 HD22 ASN 550 2HD2 ASN 550 0.975 2.308 8.890
315 H GLN 551 H GLN 551 -2.906 2.354 3.967
316 HA GLN 551 HA GLN 551 -5.463 1.274 4.511
317 HB2 GLN 551 2HB GLN 551 -6.207 2.571 2.536
318 HB3 GLN 551 1HB GLN 551 -5.260 3.528 3.667
319 HG2 GLN 551 2HG GLN 551 -3.629 3.897 2.189
320 HG3 GLN 551 1HG GLN 551 -3.698 2.258 1.545
321 HE21 GLN 551 1HE2 GLN 551 -3.536 3.038 -0.572
322 HE22 GLN 551 2HE2 GLN 551 -4.872 3.793 -1.366
323 H ASP 552 H ASP 552 -4.737 -1.000 4.283
324 HA ASP 552 HA ASP 552 -4.571 -1.961 1.532
325 HB2 ASP 552 2HB ASP 552 -4.009 -4.125 2.543
326 HB3 ASP 552 1HB ASP 552 -2.958 -2.847 3.147
327 H GLY 553 H GLY 553 -7.076 -0.919 2.890
328 HA2 GLY 553 2HA GLY 553 -9.195 -1.784 1.873
329 HA3 GLY 553 1HA GLY 553 -8.732 -3.343 2.544
330 H LEU 554 H LEU 554 -7.677 -2.148 4.993
331 HA LEU 554 HA LEU 554 -9.972 -2.271 6.616
332 HB2 LEU 554 2HB LEU 554 -7.468 -0.823 7.416
333 HB3 LEU 554 1HB LEU 554 -8.547 -1.779 8.418
334 HG LEU 554 HG LEU 554 -7.458 -3.502 6.425
335 HD11 LEU 554 1HD1 LEU 554 -5.407 -1.841 7.881
336 HD12 LEU 554 2HD1 LEU 554 -5.640 -1.952 6.136
337 HD13 LEU 554 3HD1 LEU 554 -5.066 -3.353 7.040
338 HD21 LEU 554 3HD2 LEU 554 -7.551 -3.263 9.368
339 HD22 LEU 554 1HD2 LEU 554 -6.283 -4.291 8.701
340 HD23 LEU 554 2HD2 LEU 554 -7.973 -4.619 8.322
341 H ILE 555 H ILE 555 -7.876 0.476 5.874
342 HA ILE 555 HA ILE 555 -9.679 2.428 6.897
343 HB ILE 555 HB ILE 555 -7.232 2.646 5.162
344 HG12 ILE 555 2HG1 ILE 555 -6.310 1.945 7.121
345 HG13 ILE 555 1HG1 ILE 555 -6.445 3.654 7.515
346 HG21 ILE 555 1HG2 ILE 555 -9.154 4.627 5.685
347 HG22 ILE 555 2HG2 ILE 555 -7.578 4.818 4.917
348 HG23 ILE 555 3HG2 ILE 555 -7.740 5.023 6.660
349 HD11 ILE 555 3HD1 ILE 555 -8.565 3.191 8.672
350 HD12 ILE 555 1HD1 ILE 555 -7.202 2.311 9.363
351 HD13 ILE 555 2HD1 ILE 555 -8.355 1.474 8.324
352 H CYS 556 H CYS 556 -11.406 1.318 5.457
353 HA CYS 556 HA CYS 556 -11.470 2.001 2.687
354 HB2 CYS 556 2HB CYS 556 -12.841 0.229 4.286
355 HB3 CYS 556 1HB CYS 556 -14.060 1.453 3.947
356 H GLY 557 H GLY 557 -11.918 3.852 5.446
357 HA2 GLY 557 2HA GLY 557 -14.100 5.461 5.016
358 HA3 GLY 557 1HA GLY 557 -12.594 6.034 5.712
359 H LEU 558 H LEU 558 -11.226 5.317 3.103
360 HA LEU 558 HA LEU 558 -11.165 7.834 1.957
361 HB2 LEU 558 2HB LEU 558 -10.226 6.565 -0.079
362 HB3 LEU 558 1HB LEU 558 -9.349 6.503 1.438
363 HG LEU 558 HG LEU 558 -10.774 4.286 1.766
364 HD11 LEU 558 1HD1 LEU 558 -12.097 4.336 -0.175
365 HD12 LEU 558 2HD1 LEU 558 -10.848 3.126 -0.472
366 HD13 LEU 558 3HD1 LEU 558 -10.716 4.726 -1.201
367 HD21 LEU 558 3HD2 LEU 558 -8.212 4.794 0.341
368 HD22 LEU 558 1HD2 LEU 558 -8.848 3.149 0.396
369 HD23 LEU 558 2HD2 LEU 558 -8.504 4.012 1.895
370 H ARG 559 H ARG 559 -13.523 5.354 1.521
371 HA ARG 559 HA ARG 559 -14.464 5.822 -1.047
372 HB2 ARG 559 2HB ARG 559 -16.495 4.808 -0.391
373 HB3 ARG 559 1HB ARG 559 -15.249 4.052 0.592
374 HG2 ARG 559 2HG ARG 559 -16.862 6.360 1.620
375 HG3 ARG 559 1HG ARG 559 -17.458 4.704 1.708
376 HD2 ARG 559 2HD ARG 559 -15.572 4.040 3.035
377 HD3 ARG 559 1HD ARG 559 -14.813 5.613 2.814
378 HE ARG 559 HE ARG 559 -16.072 6.403 4.537
379 HH11 ARG 559 1HH1 ARG 559 -17.602 3.521 3.300
380 HH12 ARG 559 2HH1 ARG 559 -18.821 3.490 4.529
381 HH21 ARG 559 1HH2 ARG 559 -17.673 6.364 6.153
382 HH22 ARG 559 2HH2 ARG 559 -18.861 5.103 6.150
383 H GLN 560 H GLN 560 -17.078 6.639 -0.910
384 HA GLN 560 HA GLN 560 -18.324 8.509 -1.235
385 HB2 GLN 560 2HB GLN 560 -17.045 9.255 1.400
386 HB3 GLN 560 1HB GLN 560 -18.454 10.044 0.704
387 HG2 GLN 560 2HG GLN 560 -19.842 8.302 1.178
388 HG3 GLN 560 1HG GLN 560 -18.552 7.103 1.082
389 HE21 GLN 560 1HE2 GLN 560 -16.719 7.939 2.826
390 HE22 GLN 560 2HE2 GLN 560 -17.363 8.014 4.427
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