Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
512277 | 2lcz RC | 17639 | 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 -15.257 -12.658 -4.359
2 H2 ALA 507 2HT ALA 507 -13.546 -12.584 -4.488
3 H3 ALA 507 3HT ALA 507 -14.438 -13.661 -5.483
4 HA ALA 507 HA ALA 507 -13.596 -11.547 -6.496
5 HB1 ALA 507 1HB ALA 507 -15.402 -11.504 -7.992
6 HB2 ALA 507 2HB ALA 507 -16.556 -11.982 -6.747
7 HB3 ALA 507 3HB ALA 507 -15.382 -13.149 -7.357
8 H GLN 508 H GLN 508 -14.072 -10.821 -3.702
9 HA GLN 508 HA GLN 508 -14.673 -8.081 -4.073
10 HB2 GLN 508 2HB GLN 508 -16.674 -8.100 -2.468
11 HB3 GLN 508 1HB GLN 508 -16.962 -8.589 -4.132
12 HG2 GLN 508 2HG GLN 508 -17.670 -10.591 -3.506
13 HG3 GLN 508 1HG GLN 508 -16.248 -10.853 -2.499
14 HE21 GLN 508 1HE2 GLN 508 -16.402 -9.122 -0.532
15 HE22 GLN 508 2HE2 GLN 508 -17.859 -9.298 0.378
16 HA PRO 509 HA PRO 509 -12.125 -9.518 -0.361
17 HB2 PRO 509 2HB PRO 509 -10.307 -7.472 -1.497
18 HB3 PRO 509 1HB PRO 509 -9.944 -9.096 -0.904
19 HG2 PRO 509 2HG PRO 509 -9.938 -8.554 -3.518
20 HG3 PRO 509 1HG PRO 509 -10.540 -10.104 -2.902
21 HD2 PRO 509 2HD PRO 509 -12.072 -7.715 -3.852
22 HD3 PRO 509 1HD PRO 509 -12.403 -9.442 -4.104
23 H LYS 510 H LYS 510 -11.148 -8.027 1.321
24 HA LYS 510 HA LYS 510 -12.608 -5.473 1.444
25 HB2 LYS 510 2HB LYS 510 -12.772 -5.883 3.937
26 HB3 LYS 510 1HB LYS 510 -13.792 -6.897 2.927
27 HG2 LYS 510 2HG LYS 510 -11.311 -8.228 3.284
28 HG3 LYS 510 1HG LYS 510 -11.874 -7.676 4.862
29 HD2 LYS 510 2HD LYS 510 -12.962 -9.682 4.755
30 HD3 LYS 510 1HD LYS 510 -14.170 -8.655 3.980
31 HE2 LYS 510 2HE LYS 510 -12.672 -9.326 1.843
32 HE3 LYS 510 1HE LYS 510 -12.453 -10.764 2.838
33 HZ1 LYS 510 3HZ LYS 510 -14.499 -10.430 1.182
34 HZ2 LYS 510 1HZ LYS 510 -15.178 -9.789 2.592
35 HZ3 LYS 510 2HZ LYS 510 -14.590 -11.375 2.582
36 H CYS 511 H CYS 511 -11.249 -3.824 1.564
37 HA CYS 511 HA CYS 511 -9.413 -2.553 1.995
38 HB2 CYS 511 2HB CYS 511 -8.738 -4.446 4.240
39 HB3 CYS 511 1HB CYS 511 -8.401 -2.723 4.126
40 H ASN 512 H ASN 512 -8.085 -2.830 0.289
41 HA ASN 512 HA ASN 512 -6.451 -5.215 0.105
42 HB2 ASN 512 2HB ASN 512 -6.548 -2.919 -1.846
43 HB3 ASN 512 1HB ASN 512 -5.854 -4.509 -2.112
44 HD21 ASN 512 1HD2 ASN 512 -8.933 -2.972 -1.226
45 HD22 ASN 512 2HD2 ASN 512 -9.924 -4.067 -2.114
46 HA PRO 513 HA PRO 513 -3.067 -2.027 0.872
47 HB2 PRO 513 2HB PRO 513 -3.556 0.562 0.311
48 HB3 PRO 513 1HB PRO 513 -3.301 -0.644 -0.956
49 HG2 PRO 513 2HG PRO 513 -5.737 0.785 -0.303
50 HG3 PRO 513 1HG PRO 513 -5.426 -0.301 -1.665
51 HD2 PRO 513 2HD PRO 513 -6.685 -0.881 0.951
52 HD3 PRO 513 1HD PRO 513 -6.867 -1.713 -0.605
53 H ASN 514 H ASN 514 -5.613 -2.151 2.698
54 HA ASN 514 HA ASN 514 -4.731 -0.069 4.586
55 HB2 ASN 514 2HB ASN 514 -7.423 -0.887 3.694
56 HB3 ASN 514 1HB ASN 514 -7.251 -0.698 5.436
57 HD21 ASN 514 1HD2 ASN 514 -7.198 0.910 2.353
58 HD22 ASN 514 2HD2 ASN 514 -7.228 2.521 2.970
59 H LEU 515 H LEU 515 -3.320 -2.269 4.593
60 HA LEU 515 HA LEU 515 -4.406 -4.037 6.665
61 HB2 LEU 515 2HB LEU 515 -1.860 -4.662 5.276
62 HB3 LEU 515 1HB LEU 515 -3.127 -5.738 5.824
63 HG LEU 515 HG LEU 515 -3.223 -5.920 3.510
64 HD11 LEU 515 1HD1 LEU 515 -5.183 -3.708 3.621
65 HD12 LEU 515 2HD1 LEU 515 -5.387 -5.025 4.774
66 HD13 LEU 515 3HD1 LEU 515 -5.369 -5.363 3.043
67 HD21 LEU 515 3HD2 LEU 515 -2.276 -4.447 2.145
68 HD22 LEU 515 1HD2 LEU 515 -1.990 -3.393 3.531
69 HD23 LEU 515 2HD2 LEU 515 -3.466 -3.220 2.583
70 H HIS 516 H HIS 516 -1.145 -2.871 5.777
71 HA HIS 516 HA HIS 516 -0.735 -1.686 8.347
72 HB2 HIS 516 2HB HIS 516 0.655 -3.188 9.381
73 HB3 HIS 516 1HB HIS 516 -0.419 -4.296 8.534
74 HD1 HIS 516 1HD HIS 516 0.561 -5.624 6.571
75 HD2 HIS 516 2HD HIS 516 3.251 -3.031 8.372
76 HE1 HIS 516 1HE HIS 516 2.789 -6.178 5.568
77 HE2 HIS 516 2HE HIS 516 4.438 -4.728 6.813
78 H TYR 517 H TYR 517 1.159 -3.134 5.680
79 HA TYR 517 HA TYR 517 3.292 -1.364 5.724
80 HB2 TYR 517 2HB TYR 517 2.766 -1.990 2.984
81 HB3 TYR 517 1HB TYR 517 4.067 -2.548 4.009
82 HD1 TYR 517 2HD TYR 517 0.395 -3.435 4.130
83 HD2 TYR 517 1HD TYR 517 4.387 -4.730 3.403
84 HE1 TYR 517 2HE TYR 517 -0.405 -5.734 3.862
85 HE2 TYR 517 1HE TYR 517 3.585 -7.035 3.113
86 HH TYR 517 HH TYR 517 1.455 -8.183 2.505
87 H TRP 518 H TRP 518 0.118 -0.599 4.950
88 HA TRP 518 HA TRP 518 0.988 1.758 3.416
89 HB2 TRP 518 2HB TRP 518 -1.765 0.597 3.214
90 HB3 TRP 518 1HB TRP 518 -0.898 1.556 2.038
91 HD1 TRP 518 HD TRP 518 0.326 -1.739 3.613
92 HE1 TRP 518 1HE TRP 518 0.723 -3.407 1.750
93 HE3 TRP 518 3HE TRP 518 -1.411 1.012 -0.321
94 HZ2 TRP 518 2HZ TRP 518 0.315 -3.608 -1.026
95 HZ3 TRP 518 3HZ TRP 518 -1.378 -0.009 -2.560
96 HH2 TRP 518 HH TRP 518 -0.530 -2.272 -2.905
97 H THR 519 H THR 519 -1.378 0.440 5.625
98 HA THR 519 HA THR 519 -2.702 2.830 6.284
99 HB THR 519 HB THR 519 -3.593 0.578 6.761
100 HG1 THR 519 1HG THR 519 -4.370 1.093 8.855
101 HG21 THR 519 3HG2 THR 519 -2.661 -0.923 8.126
102 HG22 THR 519 1HG2 THR 519 -2.132 0.300 9.280
103 HG23 THR 519 2HG2 THR 519 -1.177 -0.015 7.828
104 H THR 520 H THR 520 0.259 1.437 7.420
105 HA THR 520 HA THR 520 0.434 3.199 9.709
106 HB THR 520 HB THR 520 1.825 0.821 8.769
107 HG1 THR 520 1HG THR 520 2.174 0.631 11.021
108 HG21 THR 520 3HG2 THR 520 3.955 1.402 10.030
109 HG22 THR 520 1HG2 THR 520 3.513 3.090 9.771
110 HG23 THR 520 2HG2 THR 520 3.796 2.031 8.388
111 H GLN 521 H GLN 521 2.615 2.622 6.961
112 HA GLN 521 HA GLN 521 3.486 5.401 7.173
113 HB2 GLN 521 2HB GLN 521 5.480 4.759 6.083
114 HB3 GLN 521 1HB GLN 521 5.130 3.479 7.233
115 HG2 GLN 521 2HG GLN 521 4.574 1.964 5.585
116 HG3 GLN 521 1HG GLN 521 4.246 3.221 4.398
117 HE21 GLN 521 1HE2 GLN 521 6.268 4.672 4.013
118 HE22 GLN 521 2HE2 GLN 521 7.733 3.807 3.711
119 H ASP 522 H ASP 522 4.549 5.520 4.528
120 HA ASP 522 HA ASP 522 2.070 6.084 3.077
121 HB2 ASP 522 2HB ASP 522 4.886 7.061 2.714
122 HB3 ASP 522 1HB ASP 522 3.573 7.450 1.613
123 H GLU 523 H GLU 523 2.990 3.426 3.223
124 HA GLU 523 HA GLU 523 3.463 1.589 1.947
125 HB2 GLU 523 2HB GLU 523 2.664 3.134 -0.491
126 HB3 GLU 523 1HB GLU 523 2.337 1.455 -0.082
127 HG2 GLU 523 2HG GLU 523 0.701 2.080 1.510
128 HG3 GLU 523 1HG GLU 523 1.125 3.782 1.373
129 H GLY 524 H GLY 524 5.558 3.418 2.419
130 HA2 GLY 524 2HA GLY 524 7.824 3.269 1.834
131 HA3 GLY 524 1HA GLY 524 7.353 2.597 0.282
132 H ALA 525 H ALA 525 6.023 5.571 1.635
133 HA ALA 525 HA ALA 525 7.454 7.027 -0.484
134 HB1 ALA 525 1HB ALA 525 4.781 6.664 -0.438
135 HB2 ALA 525 2HB ALA 525 5.582 8.038 -1.198
136 HB3 ALA 525 3HB ALA 525 4.920 8.193 0.428
137 H ALA 526 H ALA 526 7.176 6.733 2.818
138 HA ALA 526 HA ALA 526 7.559 9.522 3.378
139 HB1 ALA 526 1HB ALA 526 7.338 8.994 5.674
140 HB2 ALA 526 2HB ALA 526 7.627 7.281 5.369
141 HB3 ALA 526 3HB ALA 526 6.132 8.036 4.816
142 H ILE 527 H ILE 527 9.542 7.614 2.006
143 HA ILE 527 HA ILE 527 11.867 8.421 3.612
144 HB ILE 527 HB ILE 527 12.553 6.107 2.107
145 HG12 ILE 527 2HG1 ILE 527 11.023 4.498 3.387
146 HG13 ILE 527 1HG1 ILE 527 9.977 5.878 3.662
147 HG21 ILE 527 1HG2 ILE 527 12.131 6.034 5.055
148 HG22 ILE 527 2HG2 ILE 527 13.335 7.136 4.387
149 HG23 ILE 527 3HG2 ILE 527 13.466 5.403 4.089
150 HD11 ILE 527 3HD1 ILE 527 9.152 5.783 1.601
151 HD12 ILE 527 1HD1 ILE 527 9.862 4.170 1.533
152 HD13 ILE 527 2HD1 ILE 527 10.742 5.550 0.876
153 H GLY 528 H GLY 528 10.720 7.461 0.383
154 HA2 GLY 528 2HA GLY 528 11.356 9.286 -1.304
155 HA3 GLY 528 1HA GLY 528 12.995 8.926 -0.785
156 H LEU 529 H LEU 529 11.985 6.045 -0.517
157 HA LEU 529 HA LEU 529 11.796 4.134 -1.766
158 HB2 LEU 529 2HB LEU 529 10.440 5.852 -3.291
159 HB3 LEU 529 1HB LEU 529 11.789 5.526 -4.366
160 HG LEU 529 HG LEU 529 11.246 3.036 -3.914
161 HD11 LEU 529 1HD1 LEU 529 9.468 4.053 -2.160
162 HD12 LEU 529 2HD1 LEU 529 9.327 2.465 -2.912
163 HD13 LEU 529 3HD1 LEU 529 8.444 3.837 -3.582
164 HD21 LEU 529 3HD2 LEU 529 9.054 3.976 -5.524
165 HD22 LEU 529 1HD2 LEU 529 10.517 3.121 -6.005
166 HD23 LEU 529 2HD2 LEU 529 10.529 4.879 -5.867
167 H ALA 530 H ALA 530 13.733 6.542 -3.450
168 HA ALA 530 HA ALA 530 15.576 4.557 -4.358
169 HB1 ALA 530 1HB ALA 530 16.912 6.624 -5.070
170 HB2 ALA 530 2HB ALA 530 15.487 7.536 -4.574
171 HB3 ALA 530 3HB ALA 530 15.358 6.321 -5.845
172 H TRP 531 H TRP 531 15.485 4.280 -1.698
173 HA TRP 531 HA TRP 531 18.101 5.274 -0.776
174 HB2 TRP 531 2HB TRP 531 17.106 4.977 1.565
175 HB3 TRP 531 1HB TRP 531 16.473 6.324 0.619
176 HD1 TRP 531 HD TRP 531 14.166 5.678 -0.793
177 HE1 TRP 531 1HE TRP 531 12.130 4.386 0.037
178 HE3 TRP 531 3HE TRP 531 16.285 3.334 3.212
179 HZ2 TRP 531 2HZ TRP 531 11.468 2.617 2.132
180 HZ3 TRP 531 3HZ TRP 531 14.876 1.862 4.593
181 HH2 TRP 531 HH TRP 531 12.515 1.513 4.066
182 H ILE 532 H ILE 532 16.073 2.632 -1.489
183 HA ILE 532 HA ILE 532 17.899 0.752 -0.149
184 HB ILE 532 HB ILE 532 16.024 -0.882 -0.422
185 HG12 ILE 532 2HG1 ILE 532 14.873 1.264 -1.858
186 HG13 ILE 532 1HG1 ILE 532 14.231 -0.345 -1.595
187 HG21 ILE 532 1HG2 ILE 532 15.084 -0.382 1.635
188 HG22 ILE 532 2HG2 ILE 532 15.169 1.358 1.355
189 HG23 ILE 532 3HG2 ILE 532 16.642 0.444 1.678
190 HD11 ILE 532 3HD1 ILE 532 13.552 2.206 -0.282
191 HD12 ILE 532 1HD1 ILE 532 13.468 0.743 0.699
192 HD13 ILE 532 2HD1 ILE 532 12.516 0.871 -0.779
193 HA PRO 533 HA PRO 533 18.650 -0.921 -4.186
194 HB2 PRO 533 2HB PRO 533 19.601 -3.339 -3.569
195 HB3 PRO 533 1HB PRO 533 20.431 -1.865 -3.060
196 HG2 PRO 533 2HG PRO 533 18.831 -3.775 -1.463
197 HG3 PRO 533 1HG PRO 533 20.155 -2.716 -0.956
198 HD2 PRO 533 2HD PRO 533 17.343 -2.267 -0.680
199 HD3 PRO 533 1HD PRO 533 18.668 -1.176 -0.226
200 H TYR 534 H TYR 534 15.935 -2.014 -2.536
201 HA TYR 534 HA TYR 534 14.775 -3.129 -4.840
202 HB2 TYR 534 2HB TYR 534 14.612 -5.504 -4.142
203 HB3 TYR 534 1HB TYR 534 16.257 -4.996 -4.508
204 HD1 TYR 534 2HD TYR 534 13.926 -5.356 -1.615
205 HD2 TYR 534 1HD TYR 534 17.945 -5.497 -3.001
206 HE1 TYR 534 2HE TYR 534 14.654 -6.151 0.595
207 HE2 TYR 534 1HE TYR 534 18.686 -6.293 -0.796
208 HH TYR 534 HH TYR 534 16.483 -7.342 1.613
209 H PHE 535 H PHE 535 14.630 -2.551 -1.413
210 HA PHE 535 HA PHE 535 12.140 -3.674 -0.824
211 HB2 PHE 535 2HB PHE 535 13.339 -1.149 0.318
212 HB3 PHE 535 1HB PHE 535 11.997 -2.036 1.016
213 HD1 PHE 535 1HD PHE 535 15.582 -2.258 0.177
214 HD2 PHE 535 2HD PHE 535 12.372 -3.823 2.475
215 HE1 PHE 535 1HE PHE 535 17.180 -3.554 1.499
216 HE2 PHE 535 2HE PHE 535 13.968 -5.139 3.806
217 HZ PHE 535 HZ PHE 535 16.379 -5.000 3.319
218 H GLY 536 H GLY 536 12.940 -0.690 -2.468
219 HA2 GLY 536 2HA GLY 536 10.073 -0.023 -2.585
220 HA3 GLY 536 1HA GLY 536 11.378 1.142 -2.742
221 HA PRO 537 HA PRO 537 11.586 1.012 -7.127
222 HB2 PRO 537 2HB PRO 537 14.162 -0.489 -7.009
223 HB3 PRO 537 1HB PRO 537 13.760 0.991 -7.888
224 HG2 PRO 537 2HG PRO 537 15.205 1.067 -5.644
225 HG3 PRO 537 1HG PRO 537 14.022 2.333 -6.020
226 HD2 PRO 537 2HD PRO 537 13.871 0.120 -4.044
227 HD3 PRO 537 1HD PRO 537 13.149 1.739 -3.987
228 H ALA 538 H ALA 538 12.673 -2.015 -5.629
229 HA ALA 538 HA ALA 538 11.768 -3.604 -7.868
230 HB1 ALA 538 1HB ALA 538 12.427 -4.880 -5.272
231 HB2 ALA 538 2HB ALA 538 13.720 -4.042 -6.129
232 HB3 ALA 538 3HB ALA 538 12.854 -5.361 -6.913
233 H ALA 539 H ALA 539 10.583 -2.672 -4.713
234 HA ALA 539 HA ALA 539 8.602 -4.549 -4.260
235 HB1 ALA 539 1HB ALA 539 7.400 -2.373 -3.279
236 HB2 ALA 539 2HB ALA 539 9.033 -1.734 -3.471
237 HB3 ALA 539 3HB ALA 539 8.757 -3.166 -2.479
238 H GLU 540 H GLU 540 6.283 -4.424 -4.562
239 HA GLU 540 HA GLU 540 5.375 -2.813 -6.830
240 HB2 GLU 540 2HB GLU 540 4.897 -5.792 -6.679
241 HB3 GLU 540 1HB GLU 540 4.399 -4.707 -7.969
242 HG2 GLU 540 2HG GLU 540 7.106 -4.305 -7.865
243 HG3 GLU 540 1HG GLU 540 6.954 -6.025 -7.506
244 H GLY 541 H GLY 541 4.541 -5.050 -4.228
245 HA2 GLY 541 2HA GLY 541 1.874 -3.788 -4.063
246 HA3 GLY 541 1HA GLY 541 2.236 -5.420 -3.514
247 H ILE 542 H ILE 542 4.278 -2.639 -2.989
248 HA ILE 542 HA ILE 542 3.428 -2.378 -0.214
249 HB ILE 542 HB ILE 542 6.364 -2.643 -0.671
250 HG12 ILE 542 2HG1 ILE 542 6.055 -5.113 0.024
251 HG13 ILE 542 1HG1 ILE 542 4.409 -4.924 -0.577
252 HG21 ILE 542 1HG2 ILE 542 4.446 -2.921 1.599
253 HG22 ILE 542 2HG2 ILE 542 5.930 -1.974 1.488
254 HG23 ILE 542 3HG2 ILE 542 6.013 -3.726 1.683
255 HD11 ILE 542 3HD1 ILE 542 5.284 -5.570 -2.530
256 HD12 ILE 542 1HD1 ILE 542 6.931 -5.188 -2.031
257 HD13 ILE 542 2HD1 ILE 542 5.876 -3.910 -2.642
258 H TYR 543 H TYR 543 5.420 -1.359 -2.912
259 HA TYR 543 HA TYR 543 5.787 1.258 -1.749
260 HB2 TYR 543 2HB TYR 543 7.716 1.318 -2.902
261 HB3 TYR 543 1HB TYR 543 7.504 -0.416 -2.996
262 HD1 TYR 543 2HD TYR 543 5.811 -1.059 -5.053
263 HD2 TYR 543 1HD TYR 543 8.399 2.298 -4.844
264 HE1 TYR 543 2HE TYR 543 5.828 -0.924 -7.505
265 HE2 TYR 543 1HE TYR 543 8.445 2.447 -7.282
266 HH TYR 543 HH TYR 543 6.285 0.629 -9.270
267 H ILE 544 H ILE 544 4.165 -0.470 -4.274
268 HA ILE 544 HA ILE 544 2.950 0.196 -6.123
269 HB ILE 544 HB ILE 544 1.499 1.830 -4.067
270 HG12 ILE 544 2HG1 ILE 544 0.308 -0.511 -3.763
271 HG13 ILE 544 1HG1 ILE 544 1.895 -1.120 -4.215
272 HG21 ILE 544 1HG2 ILE 544 0.442 2.025 -6.134
273 HG22 ILE 544 2HG2 ILE 544 -0.453 0.736 -5.329
274 HG23 ILE 544 3HG2 ILE 544 0.751 0.340 -6.556
275 HD11 ILE 544 3HD1 ILE 544 1.823 -1.047 -1.856
276 HD12 ILE 544 1HD1 ILE 544 1.180 0.593 -1.857
277 HD13 ILE 544 2HD1 ILE 544 2.840 0.297 -2.367
278 H GLU 545 H GLU 545 2.828 3.126 -4.155
279 HA GLU 545 HA GLU 545 3.270 5.301 -4.600
280 HB2 GLU 545 2HB GLU 545 4.761 4.239 -7.000
281 HB3 GLU 545 1HB GLU 545 4.886 5.865 -6.336
282 HG2 GLU 545 2HG GLU 545 5.423 4.414 -4.141
283 HG3 GLU 545 1HG GLU 545 6.055 3.334 -5.385
284 H GLY 546 H GLY 546 1.164 5.850 -4.922
285 HA2 GLY 546 2HA GLY 546 0.302 7.255 -6.992
286 HA3 GLY 546 1HA GLY 546 0.017 5.628 -7.591
287 H LEU 547 H LEU 547 -0.458 5.142 -4.448
288 HA LEU 547 HA LEU 547 -3.249 6.108 -4.503
289 HB2 LEU 547 2HB LEU 547 -4.066 4.047 -3.692
290 HB3 LEU 547 1HB LEU 547 -3.035 3.686 -5.064
291 HG LEU 547 HG LEU 547 -2.096 3.471 -2.211
292 HD11 LEU 547 1HD1 LEU 547 -2.747 1.052 -3.788
293 HD12 LEU 547 2HD1 LEU 547 -4.093 1.958 -3.098
294 HD13 LEU 547 3HD1 LEU 547 -2.823 1.331 -2.048
295 HD21 LEU 547 3HD2 LEU 547 -0.584 1.771 -3.583
296 HD22 LEU 547 1HD2 LEU 547 -0.173 3.479 -3.422
297 HD23 LEU 547 2HD2 LEU 547 -0.962 2.896 -4.888
298 H MET 548 H MET 548 -0.373 5.956 -2.760
299 HA MET 548 HA MET 548 -1.297 5.830 -0.108
300 HB2 MET 548 2HB MET 548 1.075 7.510 -0.857
301 HB3 MET 548 1HB MET 548 0.835 6.508 0.563
302 HG2 MET 548 2HG MET 548 1.863 4.810 -0.390
303 HG3 MET 548 1HG MET 548 0.796 4.870 -1.788
304 HE1 MET 548 3HE MET 548 1.988 8.241 -2.590
305 HE2 MET 548 1HE MET 548 0.993 7.003 -3.354
306 HE3 MET 548 2HE MET 548 2.538 7.457 -4.071
307 H HIS 549 H HIS 549 -3.219 7.128 -0.231
308 HA HIS 549 HA HIS 549 -2.639 9.976 0.194
309 HB2 HIS 549 2HB HIS 549 -5.163 9.080 -1.168
310 HB3 HIS 549 1HB HIS 549 -4.425 10.679 -1.159
311 HD1 HIS 549 1HD HIS 549 -5.179 8.478 -3.574
312 HD2 HIS 549 2HD HIS 549 -1.490 9.933 -2.340
313 HE1 HIS 549 1HE HIS 549 -3.636 8.142 -5.527
314 HE2 HIS 549 2HE HIS 549 -1.440 9.135 -4.800
315 H ASN 550 H ASN 550 -3.031 7.729 2.020
316 HA ASN 550 HA ASN 550 -4.169 7.160 3.909
317 HB2 ASN 550 2HB ASN 550 -4.771 10.112 3.738
318 HB3 ASN 550 1HB ASN 550 -5.236 9.120 5.116
319 HD21 ASN 550 1HD2 ASN 550 -3.362 11.389 4.873
320 HD22 ASN 550 2HD2 ASN 550 -1.859 10.809 5.499
321 H GLN 551 H GLN 551 -5.506 6.163 1.921
322 HA GLN 551 HA GLN 551 -8.276 7.094 2.039
323 HB2 GLN 551 2HB GLN 551 -8.031 4.794 0.366
324 HB3 GLN 551 1HB GLN 551 -8.411 6.446 -0.091
325 HG2 GLN 551 2HG GLN 551 -6.583 6.118 -1.377
326 HG3 GLN 551 1HG GLN 551 -5.789 6.718 0.075
327 HE21 GLN 551 1HE2 GLN 551 -6.138 4.314 1.612
328 HE22 GLN 551 2HE2 GLN 551 -5.070 3.132 0.952
329 H ASP 552 H ASP 552 -9.921 5.253 1.962
330 HA ASP 552 HA ASP 552 -9.470 2.766 3.124
331 HB2 ASP 552 2HB ASP 552 -8.818 4.139 5.115
332 HB3 ASP 552 1HB ASP 552 -10.451 4.794 5.152
333 H GLY 553 H GLY 553 -11.080 4.141 1.159
334 HA2 GLY 553 2HA GLY 553 -13.720 3.122 1.976
335 HA3 GLY 553 1HA GLY 553 -13.582 4.698 1.201
336 H LEU 554 H LEU 554 -11.509 4.033 -0.580
337 HA LEU 554 HA LEU 554 -13.012 2.789 -2.685
338 HB2 LEU 554 2HB LEU 554 -10.919 3.218 -3.999
339 HB3 LEU 554 1HB LEU 554 -11.641 4.642 -3.274
340 HG LEU 554 HG LEU 554 -9.772 3.702 -1.383
341 HD11 LEU 554 1HD1 LEU 554 -8.979 2.500 -3.618
342 HD12 LEU 554 2HD1 LEU 554 -7.844 3.151 -2.436
343 HD13 LEU 554 3HD1 LEU 554 -8.235 4.075 -3.886
344 HD21 LEU 554 3HD2 LEU 554 -9.912 5.958 -1.405
345 HD22 LEU 554 1HD2 LEU 554 -10.143 6.040 -3.151
346 HD23 LEU 554 2HD2 LEU 554 -8.527 5.805 -2.487
347 H ILE 555 H ILE 555 -11.233 1.571 -0.171
348 HA ILE 555 HA ILE 555 -10.803 -0.963 -1.555
349 HB ILE 555 HB ILE 555 -8.605 -1.233 -0.484
350 HG12 ILE 555 2HG1 ILE 555 -8.904 0.359 1.375
351 HG13 ILE 555 1HG1 ILE 555 -7.440 0.680 0.472
352 HG21 ILE 555 1HG2 ILE 555 -8.100 1.233 -1.942
353 HG22 ILE 555 2HG2 ILE 555 -9.178 0.113 -2.779
354 HG23 ILE 555 3HG2 ILE 555 -7.571 -0.420 -2.276
355 HD11 ILE 555 3HD1 ILE 555 -9.216 2.279 -0.790
356 HD12 ILE 555 1HD1 ILE 555 -8.105 2.785 0.479
357 HD13 ILE 555 2HD1 ILE 555 -9.768 2.356 0.882
358 H CYS 556 H CYS 556 -10.757 0.817 1.496
359 HA CYS 556 HA CYS 556 -11.553 -1.640 2.878
360 HB2 CYS 556 2HB CYS 556 -9.353 -0.431 3.471
361 HB3 CYS 556 1HB CYS 556 -10.377 0.795 4.205
362 H GLY 557 H GLY 557 -13.697 -0.740 1.809
363 HA2 GLY 557 2HA GLY 557 -14.950 1.237 3.582
364 HA3 GLY 557 1HA GLY 557 -15.574 0.712 2.025
365 H LEU 558 H LEU 558 -15.856 -1.866 2.074
366 HA LEU 558 HA LEU 558 -16.997 -2.723 4.603
367 HB2 LEU 558 2HB LEU 558 -19.158 -3.241 3.713
368 HB3 LEU 558 1HB LEU 558 -18.816 -1.549 3.418
369 HG LEU 558 HG LEU 558 -18.404 -3.641 1.296
370 HD11 LEU 558 1HD1 LEU 558 -20.759 -3.633 2.179
371 HD12 LEU 558 2HD1 LEU 558 -20.585 -3.253 0.465
372 HD13 LEU 558 3HD1 LEU 558 -20.873 -1.961 1.630
373 HD21 LEU 558 3HD2 LEU 558 -18.852 -1.562 -0.122
374 HD22 LEU 558 1HD2 LEU 558 -17.303 -1.662 0.714
375 HD23 LEU 558 2HD2 LEU 558 -18.590 -0.648 1.364
376 H ARG 559 H ARG 559 -16.439 -3.547 1.183
377 HA ARG 559 HA ARG 559 -14.905 -5.797 1.675
378 HB2 ARG 559 2HB ARG 559 -16.442 -7.646 1.260
379 HB3 ARG 559 1HB ARG 559 -16.944 -6.747 2.685
380 HG2 ARG 559 2HG ARG 559 -18.142 -5.765 0.222
381 HG3 ARG 559 1HG ARG 559 -18.553 -7.445 0.583
382 HD2 ARG 559 2HD ARG 559 -18.851 -5.131 2.496
383 HD3 ARG 559 1HD ARG 559 -20.158 -5.827 1.541
384 HE ARG 559 HE ARG 559 -18.998 -6.903 3.939
385 HH11 ARG 559 1HH1 ARG 559 -20.743 -7.671 1.017
386 HH12 ARG 559 2HH1 ARG 559 -21.435 -9.121 1.662
387 HH21 ARG 559 1HH2 ARG 559 -19.904 -8.813 4.789
388 HH22 ARG 559 2HH2 ARG 559 -20.957 -9.772 3.803
389 H GLN 560 H GLN 560 -15.043 -3.678 -0.152
390 HA GLN 560 HA GLN 560 -15.634 -5.000 -2.702
391 HB2 GLN 560 2HB GLN 560 -15.755 -2.871 -3.709
392 HB3 GLN 560 1HB GLN 560 -16.585 -2.711 -2.169
393 HG2 GLN 560 2HG GLN 560 -13.810 -2.062 -1.852
394 HG3 GLN 560 1HG GLN 560 -14.506 -1.130 -3.179
395 HE21 GLN 560 1HE2 GLN 560 -14.719 -1.873 0.224
396 HE22 GLN 560 2HE2 GLN 560 -15.643 -0.485 0.668
Start of MODEL 2
1 H1 ALA 507 1HT ALA 507 -12.187 -11.286 -7.790
2 H2 ALA 507 2HT ALA 507 -10.645 -11.150 -7.050
3 H3 ALA 507 3HT ALA 507 -10.769 -11.357 -8.749
4 HA ALA 507 HA ALA 507 -10.276 -9.076 -7.858
5 HB1 ALA 507 1HB ALA 507 -12.661 -8.989 -9.614
6 HB2 ALA 507 2HB ALA 507 -11.276 -9.931 -10.167
7 HB3 ALA 507 3HB ALA 507 -11.087 -8.216 -9.799
8 H GLN 508 H GLN 508 -11.298 -9.595 -5.547
9 HA GLN 508 HA GLN 508 -13.129 -7.466 -5.054
10 HB2 GLN 508 2HB GLN 508 -14.847 -8.987 -3.937
11 HB3 GLN 508 1HB GLN 508 -14.860 -8.932 -5.694
12 HG2 GLN 508 2HG GLN 508 -13.764 -11.040 -5.845
13 HG3 GLN 508 1HG GLN 508 -13.456 -11.065 -4.109
14 HE21 GLN 508 1HE2 GLN 508 -15.754 -10.484 -2.956
15 HE22 GLN 508 2HE2 GLN 508 -16.994 -11.607 -3.387
16 HA PRO 509 HA PRO 509 -10.440 -9.038 -1.519
17 HB2 PRO 509 2HB PRO 509 -8.447 -7.244 -1.600
18 HB3 PRO 509 1HB PRO 509 -8.432 -8.691 -2.616
19 HG2 PRO 509 2HG PRO 509 -9.175 -5.882 -3.332
20 HG3 PRO 509 1HG PRO 509 -8.213 -7.054 -4.251
21 HD2 PRO 509 2HD PRO 509 -10.863 -6.541 -4.732
22 HD3 PRO 509 1HD PRO 509 -10.067 -8.080 -5.116
23 H LYS 510 H LYS 510 -10.798 -8.287 0.502
24 HA LYS 510 HA LYS 510 -12.134 -5.708 0.770
25 HB2 LYS 510 2HB LYS 510 -12.792 -6.476 2.980
26 HB3 LYS 510 1HB LYS 510 -13.168 -7.705 1.780
27 HG2 LYS 510 2HG LYS 510 -10.942 -8.772 2.429
28 HG3 LYS 510 1HG LYS 510 -10.984 -7.702 3.832
29 HD2 LYS 510 2HD LYS 510 -12.094 -9.426 4.778
30 HD3 LYS 510 1HD LYS 510 -13.477 -8.727 3.933
31 HE2 LYS 510 2HE LYS 510 -12.519 -10.270 1.973
32 HE3 LYS 510 1HE LYS 510 -11.938 -11.192 3.359
33 HZ1 LYS 510 3HZ LYS 510 -14.129 -11.925 2.617
34 HZ2 LYS 510 1HZ LYS 510 -14.760 -10.382 2.908
35 HZ3 LYS 510 2HZ LYS 510 -14.187 -11.319 4.194
36 H CYS 511 H CYS 511 -11.134 -3.953 1.488
37 HA CYS 511 HA CYS 511 -9.494 -2.576 2.266
38 HB2 CYS 511 2HB CYS 511 -8.961 -4.602 4.420
39 HB3 CYS 511 1HB CYS 511 -8.938 -2.846 4.527
40 H ASN 512 H ASN 512 -8.016 -2.729 0.610
41 HA ASN 512 HA ASN 512 -5.952 -4.764 0.741
42 HB2 ASN 512 2HB ASN 512 -6.249 -2.627 -1.359
43 HB3 ASN 512 1HB ASN 512 -5.307 -4.108 -1.460
44 HD21 ASN 512 1HD2 ASN 512 -8.625 -2.928 -1.067
45 HD22 ASN 512 2HD2 ASN 512 -9.371 -4.242 -1.900
46 HA PRO 513 HA PRO 513 -3.313 -0.927 1.497
47 HB2 PRO 513 2HB PRO 513 -4.356 1.512 0.911
48 HB3 PRO 513 1HB PRO 513 -3.735 0.414 -0.321
49 HG2 PRO 513 2HG PRO 513 -6.464 1.235 0.125
50 HG3 PRO 513 1HG PRO 513 -5.810 0.241 -1.183
51 HD2 PRO 513 2HD PRO 513 -7.122 -0.592 1.327
52 HD3 PRO 513 1HD PRO 513 -6.969 -1.452 -0.216
53 H ASN 514 H ASN 514 -5.912 -1.548 3.204
54 HA ASN 514 HA ASN 514 -5.423 0.570 5.187
55 HB2 ASN 514 2HB ASN 514 -7.957 -0.495 4.092
56 HB3 ASN 514 1HB ASN 514 -7.918 -0.275 5.839
57 HD21 ASN 514 1HD2 ASN 514 -7.810 1.299 2.741
58 HD22 ASN 514 2HD2 ASN 514 -8.023 2.907 3.331
59 H LEU 515 H LEU 515 -3.763 -1.308 5.463
60 HA LEU 515 HA LEU 515 -4.850 -3.220 7.421
61 HB2 LEU 515 2HB LEU 515 -2.217 -3.801 6.235
62 HB3 LEU 515 1HB LEU 515 -3.552 -4.875 6.581
63 HG LEU 515 HG LEU 515 -3.212 -4.939 4.242
64 HD11 LEU 515 1HD1 LEU 515 -5.418 -5.004 4.073
65 HD12 LEU 515 2HD1 LEU 515 -5.373 -3.292 3.660
66 HD13 LEU 515 3HD1 LEU 515 -5.619 -3.789 5.333
67 HD21 LEU 515 3HD2 LEU 515 -2.314 -2.303 4.531
68 HD22 LEU 515 1HD2 LEU 515 -3.720 -2.212 3.471
69 HD23 LEU 515 2HD2 LEU 515 -2.365 -3.261 3.049
70 H HIS 516 H HIS 516 -1.616 -2.053 6.592
71 HA HIS 516 HA HIS 516 -1.304 -0.716 9.148
72 HB2 HIS 516 2HB HIS 516 0.560 -1.930 9.908
73 HB3 HIS 516 1HB HIS 516 -0.578 -3.175 9.407
74 HD1 HIS 516 1HD HIS 516 0.100 -4.659 7.431
75 HD2 HIS 516 2HD HIS 516 2.803 -1.615 8.242
76 HE1 HIS 516 1HE HIS 516 2.101 -5.140 5.989
77 HE2 HIS 516 2HE HIS 516 3.787 -3.371 6.608
78 H TYR 517 H TYR 517 0.463 -1.872 6.286
79 HA TYR 517 HA TYR 517 2.075 0.455 6.111
80 HB2 TYR 517 2HB TYR 517 2.016 -0.443 3.525
81 HB3 TYR 517 1HB TYR 517 3.163 -0.970 4.741
82 HD1 TYR 517 1HD TYR 517 -0.406 -2.034 4.687
83 HD2 TYR 517 2HD TYR 517 3.622 -3.079 3.798
84 HE1 TYR 517 1HE TYR 517 -1.094 -4.364 4.315
85 HE2 TYR 517 2HE TYR 517 2.941 -5.408 3.421
86 HH TYR 517 HH TYR 517 0.704 -6.585 2.733
87 H TRP 518 H TRP 518 1.792 1.702 3.788
88 HA TRP 518 HA TRP 518 0.527 3.222 2.664
89 HB2 TRP 518 2HB TRP 518 -2.025 1.787 3.203
90 HB3 TRP 518 1HB TRP 518 -1.465 2.538 1.729
91 HD1 TRP 518 HD TRP 518 -0.060 -0.464 3.712
92 HE1 TRP 518 1HE TRP 518 0.228 -2.398 2.120
93 HE3 TRP 518 3HE TRP 518 -1.870 1.736 -0.509
94 HZ2 TRP 518 2HZ TRP 518 -0.303 -2.993 -0.581
95 HZ3 TRP 518 3HZ TRP 518 -1.959 0.397 -2.573
96 HH2 TRP 518 HH TRP 518 -1.185 -1.920 -2.611
97 H THR 519 H THR 519 -1.072 2.075 5.584
98 HA THR 519 HA THR 519 -2.191 4.717 6.101
99 HB THR 519 HB THR 519 -3.631 2.738 6.414
100 HG1 THR 519 1HG THR 519 -4.262 3.229 8.568
101 HG21 THR 519 3HG2 THR 519 -1.667 1.944 8.557
102 HG22 THR 519 1HG2 THR 519 -1.982 1.075 7.055
103 HG23 THR 519 2HG2 THR 519 -3.245 1.205 8.281
104 H THR 520 H THR 520 0.425 2.694 6.918
105 HA THR 520 HA THR 520 0.985 3.970 9.458
106 HB THR 520 HB THR 520 2.145 1.731 7.867
107 HG1 THR 520 1HG THR 520 1.673 2.024 10.642
108 HG21 THR 520 3HG2 THR 520 3.985 1.607 9.647
109 HG22 THR 520 1HG2 THR 520 3.723 3.342 9.825
110 HG23 THR 520 2HG2 THR 520 4.221 2.682 8.266
111 H GLN 521 H GLN 521 3.218 3.381 6.792
112 HA GLN 521 HA GLN 521 4.301 6.065 7.186
113 HB2 GLN 521 2HB GLN 521 6.319 5.249 6.160
114 HB3 GLN 521 1HB GLN 521 5.809 4.096 7.383
115 HG2 GLN 521 2HG GLN 521 5.513 2.457 5.901
116 HG3 GLN 521 1HG GLN 521 4.775 3.521 4.711
117 HE21 GLN 521 1HE2 GLN 521 6.412 5.098 3.678
118 HE22 GLN 521 2HE2 GLN 521 7.933 4.429 3.224
119 H ASP 522 H ASP 522 5.620 6.271 4.751
120 HA ASP 522 HA ASP 522 3.428 7.086 3.018
121 HB2 ASP 522 2HB ASP 522 5.757 8.315 3.741
122 HB3 ASP 522 1HB ASP 522 6.148 7.682 2.147
123 H GLU 523 H GLU 523 4.420 4.254 3.287
124 HA GLU 523 HA GLU 523 4.942 2.455 1.978
125 HB2 GLU 523 2HB GLU 523 3.401 4.150 0.014
126 HB3 GLU 523 1HB GLU 523 3.821 2.463 -0.249
127 HG2 GLU 523 2HG GLU 523 2.691 2.242 2.137
128 HG3 GLU 523 1HG GLU 523 1.821 3.655 1.539
129 H GLY 524 H GLY 524 7.152 3.069 2.144
130 HA2 GLY 524 2HA GLY 524 9.250 3.449 1.304
131 HA3 GLY 524 1HA GLY 524 8.584 2.840 -0.204
132 H ALA 525 H ALA 525 7.106 5.703 1.129
133 HA ALA 525 HA ALA 525 8.423 7.216 -1.014
134 HB1 ALA 525 1HB ALA 525 5.881 6.887 -0.941
135 HB2 ALA 525 2HB ALA 525 6.515 8.497 -1.282
136 HB3 ALA 525 3HB ALA 525 5.912 8.110 0.328
137 H ALA 526 H ALA 526 8.023 7.076 2.401
138 HA ALA 526 HA ALA 526 8.924 9.767 2.808
139 HB1 ALA 526 1HB ALA 526 7.994 7.582 4.599
140 HB2 ALA 526 2HB ALA 526 7.408 9.239 4.453
141 HB3 ALA 526 3HB ALA 526 8.934 8.913 5.274
142 H ILE 527 H ILE 527 10.576 7.599 1.513
143 HA ILE 527 HA ILE 527 12.979 7.955 3.154
144 HB ILE 527 HB ILE 527 13.335 5.549 1.792
145 HG12 ILE 527 2HG1 ILE 527 10.825 5.597 1.470
146 HG13 ILE 527 1HG1 ILE 527 11.454 4.164 2.266
147 HG21 ILE 527 1HG2 ILE 527 14.307 5.442 3.810
148 HG22 ILE 527 2HG2 ILE 527 12.770 4.750 4.326
149 HG23 ILE 527 3HG2 ILE 527 13.086 6.468 4.564
150 HD11 ILE 527 3HD1 ILE 527 10.825 6.042 4.275
151 HD12 ILE 527 1HD1 ILE 527 10.048 4.497 3.932
152 HD13 ILE 527 2HD1 ILE 527 9.467 5.970 3.155
153 H GLY 528 H GLY 528 11.696 7.005 -0.025
154 HA2 GLY 528 2HA GLY 528 12.590 8.657 -1.793
155 HA3 GLY 528 1HA GLY 528 14.154 8.056 -1.267
156 H LEU 529 H LEU 529 12.494 5.382 -0.934
157 HA LEU 529 HA LEU 529 12.106 3.491 -2.138
158 HB2 LEU 529 2HB LEU 529 11.441 5.638 -3.974
159 HB3 LEU 529 1HB LEU 529 12.073 4.244 -4.824
160 HG LEU 529 HG LEU 529 9.608 4.412 -3.111
161 HD11 LEU 529 1HD1 LEU 529 9.096 3.062 -5.468
162 HD12 LEU 529 2HD1 LEU 529 10.217 4.339 -5.943
163 HD13 LEU 529 3HD1 LEU 529 8.712 4.748 -5.119
164 HD21 LEU 529 3HD2 LEU 529 9.462 1.908 -3.725
165 HD22 LEU 529 1HD2 LEU 529 10.476 2.395 -2.362
166 HD23 LEU 529 2HD2 LEU 529 11.211 2.024 -3.922
167 H ALA 530 H ALA 530 14.210 5.566 -4.039
168 HA ALA 530 HA ALA 530 15.803 3.340 -4.869
169 HB1 ALA 530 1HB ALA 530 16.309 6.277 -5.264
170 HB2 ALA 530 2HB ALA 530 15.430 5.221 -6.369
171 HB3 ALA 530 3HB ALA 530 17.148 4.955 -6.074
172 H TRP 531 H TRP 531 15.855 3.339 -2.176
173 HA TRP 531 HA TRP 531 18.601 4.184 -1.526
174 HB2 TRP 531 2HB TRP 531 17.763 4.167 0.891
175 HB3 TRP 531 1HB TRP 531 17.154 5.471 -0.128
176 HD1 TRP 531 HD TRP 531 14.715 4.833 -1.338
177 HE1 TRP 531 1HE TRP 531 12.663 3.790 -0.246
178 HE3 TRP 531 3HE TRP 531 16.957 2.803 2.766
179 HZ2 TRP 531 2HZ TRP 531 12.040 2.308 2.096
180 HZ3 TRP 531 3HZ TRP 531 15.563 1.594 4.396
181 HH2 TRP 531 HH TRP 531 13.156 1.354 4.068
182 H ILE 532 H ILE 532 16.312 1.653 -1.821
183 HA ILE 532 HA ILE 532 18.103 -0.210 -0.405
184 HB ILE 532 HB ILE 532 16.104 -1.744 -0.456
185 HG12 ILE 532 2HG1 ILE 532 15.047 0.111 -2.168
186 HG13 ILE 532 1HG1 ILE 532 14.132 -1.125 -1.320
187 HG21 ILE 532 1HG2 ILE 532 16.582 -0.896 1.630
188 HG22 ILE 532 2HG2 ILE 532 14.919 -0.362 1.386
189 HG23 ILE 532 3HG2 ILE 532 16.251 0.766 1.140
190 HD11 ILE 532 3HD1 ILE 532 12.991 0.920 -1.058
191 HD12 ILE 532 1HD1 ILE 532 14.468 1.752 -0.573
192 HD13 ILE 532 2HD1 ILE 532 13.744 0.548 0.495
193 HA PRO 533 HA PRO 533 19.145 -2.373 -4.085
194 HB2 PRO 533 2HB PRO 533 18.756 -4.999 -3.376
195 HB3 PRO 533 1HB PRO 533 20.164 -4.040 -2.910
196 HG2 PRO 533 2HG PRO 533 17.695 -4.666 -1.343
197 HG3 PRO 533 1HG PRO 533 19.386 -4.638 -0.807
198 HD2 PRO 533 2HD PRO 533 17.710 -2.615 -0.270
199 HD3 PRO 533 1HD PRO 533 19.424 -2.328 -0.633
200 H TYR 534 H TYR 534 16.210 -3.803 -2.602
201 HA TYR 534 HA TYR 534 14.798 -3.468 -5.110
202 HB2 TYR 534 2HB TYR 534 14.166 -5.883 -5.234
203 HB3 TYR 534 1HB TYR 534 15.867 -5.564 -5.563
204 HD1 TYR 534 2HD TYR 534 13.494 -6.878 -3.058
205 HD2 TYR 534 1HD TYR 534 17.580 -6.460 -4.167
206 HE1 TYR 534 2HE TYR 534 14.125 -8.499 -1.320
207 HE2 TYR 534 1HE TYR 534 18.223 -8.081 -2.433
208 HH TYR 534 HH TYR 534 16.464 -8.893 0.067
209 H PHE 535 H PHE 535 14.689 -3.195 -1.880
210 HA PHE 535 HA PHE 535 12.171 -4.380 -1.259
211 HB2 PHE 535 2HB PHE 535 13.291 -2.030 0.234
212 HB3 PHE 535 1HB PHE 535 12.355 -3.383 0.848
213 HD1 PHE 535 1HD PHE 535 14.155 -5.453 -0.721
214 HD2 PHE 535 2HD PHE 535 14.932 -2.255 1.973
215 HE1 PHE 535 1HE PHE 535 16.236 -6.558 -0.016
216 HE2 PHE 535 2HE PHE 535 17.015 -3.344 2.677
217 HZ PHE 535 HZ PHE 535 17.672 -5.503 1.687
218 H GLY 536 H GLY 536 13.169 -1.384 -2.669
219 HA2 GLY 536 2HA GLY 536 10.422 -0.341 -2.471
220 HA3 GLY 536 1HA GLY 536 11.856 0.638 -2.738
221 HA PRO 537 HA PRO 537 11.675 0.572 -7.147
222 HB2 PRO 537 2HB PRO 537 13.825 -1.495 -7.302
223 HB3 PRO 537 1HB PRO 537 13.693 0.054 -8.142
224 HG2 PRO 537 2HG PRO 537 15.343 -0.236 -6.073
225 HG3 PRO 537 1HG PRO 537 14.426 1.263 -6.305
226 HD2 PRO 537 2HD PRO 537 13.999 -0.941 -4.352
227 HD3 PRO 537 1HD PRO 537 13.688 0.798 -4.180
228 H ALA 538 H ALA 538 12.220 -2.670 -5.820
229 HA ALA 538 HA ALA 538 10.745 -3.969 -7.925
230 HB1 ALA 538 1HB ALA 538 12.669 -4.862 -6.318
231 HB2 ALA 538 2HB ALA 538 11.465 -5.934 -7.031
232 HB3 ALA 538 3HB ALA 538 11.275 -5.378 -5.368
233 H ALA 539 H ALA 539 10.032 -2.542 -4.873
234 HA ALA 539 HA ALA 539 7.792 -3.883 -3.998
235 HB1 ALA 539 1HB ALA 539 9.066 -1.839 -3.020
236 HB2 ALA 539 2HB ALA 539 7.350 -2.047 -2.672
237 HB3 ALA 539 3HB ALA 539 7.866 -0.898 -3.905
238 H GLU 540 H GLU 540 5.512 -3.241 -4.135
239 HA GLU 540 HA GLU 540 4.575 -1.729 -6.372
240 HB2 GLU 540 2HB GLU 540 3.318 -3.852 -7.248
241 HB3 GLU 540 1HB GLU 540 4.963 -3.518 -7.772
242 HG2 GLU 540 2HG GLU 540 5.737 -5.037 -5.923
243 HG3 GLU 540 1HG GLU 540 4.050 -5.506 -5.719
244 H GLY 541 H GLY 541 3.837 -4.207 -3.964
245 HA2 GLY 541 2HA GLY 541 1.184 -2.975 -3.587
246 HA3 GLY 541 1HA GLY 541 1.587 -4.634 -3.167
247 H ILE 542 H ILE 542 3.726 -1.968 -2.488
248 HA ILE 542 HA ILE 542 2.877 -1.826 0.295
249 HB ILE 542 HB ILE 542 5.792 -2.252 -0.164
250 HG12 ILE 542 2HG1 ILE 542 5.325 -4.726 0.398
251 HG13 ILE 542 1HG1 ILE 542 3.689 -4.401 -0.170
252 HG21 ILE 542 1HG2 ILE 542 5.659 -1.882 2.034
253 HG22 ILE 542 2HG2 ILE 542 5.036 -3.529 2.146
254 HG23 ILE 542 3HG2 ILE 542 3.919 -2.166 2.067
255 HD11 ILE 542 3HD1 ILE 542 4.435 -4.896 -2.202
256 HD12 ILE 542 1HD1 ILE 542 6.116 -4.857 -1.671
257 HD13 ILE 542 2HD1 ILE 542 5.311 -3.363 -2.158
258 H TYR 543 H TYR 543 4.802 -0.659 -2.386
259 HA TYR 543 HA TYR 543 5.457 1.760 -0.939
260 HB2 TYR 543 2HB TYR 543 7.264 1.905 -2.288
261 HB3 TYR 543 1HB TYR 543 6.971 0.195 -2.510
262 HD1 TYR 543 2HD TYR 543 5.792 -0.597 -4.567
263 HD2 TYR 543 1HD TYR 543 7.077 3.434 -4.075
264 HE1 TYR 543 2HE TYR 543 5.594 -0.237 -6.984
265 HE2 TYR 543 1HE TYR 543 6.883 3.803 -6.489
266 HH TYR 543 HH TYR 543 5.338 1.552 -8.577
267 H ILE 544 H ILE 544 3.934 0.700 -3.957
268 HA ILE 544 HA ILE 544 2.686 1.818 -5.527
269 HB ILE 544 HB ILE 544 1.168 2.631 -3.052
270 HG12 ILE 544 2HG1 ILE 544 -0.045 0.436 -3.485
271 HG13 ILE 544 1HG1 ILE 544 1.310 0.004 -4.521
272 HG21 ILE 544 1HG2 ILE 544 0.108 3.661 -4.827
273 HG22 ILE 544 2HG2 ILE 544 -0.755 2.128 -4.721
274 HG23 ILE 544 3HG2 ILE 544 0.490 2.355 -5.949
275 HD11 ILE 544 3HD1 ILE 544 1.934 0.900 -1.774
276 HD12 ILE 544 1HD1 ILE 544 2.713 -0.320 -2.779
277 HD13 ILE 544 2HD1 ILE 544 1.191 -0.687 -1.970
278 H GLU 545 H GLU 545 2.321 4.058 -2.826
279 HA GLU 545 HA GLU 545 2.692 6.286 -2.606
280 HB2 GLU 545 2HB GLU 545 4.406 6.147 -5.076
281 HB3 GLU 545 1HB GLU 545 4.528 7.273 -3.725
282 HG2 GLU 545 2HG GLU 545 5.018 5.265 -2.279
283 HG3 GLU 545 1HG GLU 545 5.211 4.352 -3.773
284 H GLY 546 H GLY 546 0.541 6.680 -3.067
285 HA2 GLY 546 2HA GLY 546 -0.084 8.643 -4.842
286 HA3 GLY 546 1HA GLY 546 -0.365 7.165 -5.751
287 H LEU 547 H LEU 547 -1.081 5.927 -2.981
288 HA LEU 547 HA LEU 547 -3.747 7.159 -2.719
289 HB2 LEU 547 2HB LEU 547 -4.892 5.140 -2.905
290 HB3 LEU 547 1HB LEU 547 -3.714 5.097 -4.202
291 HG LEU 547 HG LEU 547 -3.431 3.677 -1.554
292 HD11 LEU 547 1HD1 LEU 547 -5.197 2.716 -2.939
293 HD12 LEU 547 2HD1 LEU 547 -3.804 1.639 -2.833
294 HD13 LEU 547 3HD1 LEU 547 -4.072 2.593 -4.292
295 HD21 LEU 547 3HD2 LEU 547 -1.602 2.492 -2.930
296 HD22 LEU 547 1HD2 LEU 547 -1.257 4.091 -2.268
297 HD23 LEU 547 2HD2 LEU 547 -1.679 3.913 -3.971
298 H MET 548 H MET 548 -1.027 5.887 -1.190
299 HA MET 548 HA MET 548 -2.206 4.963 1.213
300 HB2 MET 548 2HB MET 548 0.217 5.422 2.104
301 HB3 MET 548 1HB MET 548 -0.093 4.097 0.998
302 HG2 MET 548 2HG MET 548 1.910 5.196 0.339
303 HG3 MET 548 1HG MET 548 0.684 5.537 -0.869
304 HE1 MET 548 3HE MET 548 0.344 9.179 -1.015
305 HE2 MET 548 1HE MET 548 -0.238 7.576 -1.459
306 HE3 MET 548 2HE MET 548 1.379 8.089 -1.935
307 H HIS 549 H HIS 549 -3.667 6.975 1.203
308 HA HIS 549 HA HIS 549 -2.383 9.063 2.837
309 HB2 HIS 549 2HB HIS 549 -4.965 9.628 1.471
310 HB3 HIS 549 1HB HIS 549 -3.615 10.700 1.811
311 HD1 HIS 549 1HD HIS 549 -5.222 9.966 -0.988
312 HD2 HIS 549 2HD HIS 549 -1.309 9.093 0.102
313 HE1 HIS 549 1HE HIS 549 -3.987 9.624 -3.148
314 HE2 HIS 549 2HE HIS 549 -1.585 9.277 -2.463
315 H ASN 550 H ASN 550 -5.781 8.156 2.257
316 HA ASN 550 HA ASN 550 -6.312 6.892 4.657
317 HB2 ASN 550 2HB ASN 550 -5.726 9.553 5.173
318 HB3 ASN 550 1HB ASN 550 -7.484 9.517 5.161
319 HD21 ASN 550 1HD2 ASN 550 -7.485 9.968 7.386
320 HD22 ASN 550 2HD2 ASN 550 -7.135 8.741 8.551
321 H GLN 551 H GLN 551 -7.422 5.956 2.756
322 HA GLN 551 HA GLN 551 -9.911 7.315 2.050
323 HB2 GLN 551 2HB GLN 551 -9.483 4.766 0.717
324 HB3 GLN 551 1HB GLN 551 -9.781 6.350 0.029
325 HG2 GLN 551 2HG GLN 551 -7.715 6.261 -0.761
326 HG3 GLN 551 1HG GLN 551 -7.160 6.509 0.891
327 HE21 GLN 551 1HE2 GLN 551 -7.300 4.306 2.184
328 HE22 GLN 551 2HE2 GLN 551 -6.529 2.980 1.397
329 H ASP 552 H ASP 552 -9.215 3.889 2.334
330 HA ASP 552 HA ASP 552 -10.202 2.184 3.463
331 HB2 ASP 552 2HB ASP 552 -9.761 3.837 5.402
332 HB3 ASP 552 1HB ASP 552 -11.487 4.173 5.319
333 H GLY 553 H GLY 553 -11.721 4.094 1.494
334 HA2 GLY 553 2HA GLY 553 -14.385 2.920 2.019
335 HA3 GLY 553 1HA GLY 553 -14.166 4.515 1.309
336 H LEU 554 H LEU 554 -11.918 3.674 -0.319
337 HA LEU 554 HA LEU 554 -13.415 2.463 -2.507
338 HB2 LEU 554 2HB LEU 554 -11.449 3.145 -3.852
339 HB3 LEU 554 1HB LEU 554 -12.242 4.477 -3.036
340 HG LEU 554 HG LEU 554 -10.279 3.739 -1.235
341 HD11 LEU 554 1HD1 LEU 554 -8.784 3.921 -3.784
342 HD12 LEU 554 2HD1 LEU 554 -9.483 2.360 -3.353
343 HD13 LEU 554 3HD1 LEU 554 -8.346 3.150 -2.260
344 HD21 LEU 554 3HD2 LEU 554 -10.801 6.006 -1.665
345 HD22 LEU 554 1HD2 LEU 554 -10.351 5.862 -3.364
346 HD23 LEU 554 2HD2 LEU 554 -9.109 5.789 -2.112
347 H ILE 555 H ILE 555 -11.880 1.191 -0.042
348 HA ILE 555 HA ILE 555 -10.931 -1.112 -1.551
349 HB ILE 555 HB ILE 555 -8.878 -1.216 -0.117
350 HG12 ILE 555 2HG1 ILE 555 -9.639 0.384 1.620
351 HG13 ILE 555 1HG1 ILE 555 -8.082 0.815 0.951
352 HG21 ILE 555 1HG2 ILE 555 -7.663 -0.239 -1.734
353 HG22 ILE 555 2HG2 ILE 555 -8.558 1.281 -1.636
354 HG23 ILE 555 3HG2 ILE 555 -9.234 -0.086 -2.524
355 HD11 ILE 555 3HD1 ILE 555 -10.567 2.289 0.948
356 HD12 ILE 555 1HD1 ILE 555 -9.803 2.201 -0.639
357 HD13 ILE 555 2HD1 ILE 555 -8.908 2.848 0.733
358 H CYS 556 H CYS 556 -11.504 0.355 1.614
359 HA CYS 556 HA CYS 556 -12.006 -2.305 2.712
360 HB2 CYS 556 2HB CYS 556 -10.333 -0.622 3.752
361 HB3 CYS 556 1HB CYS 556 -11.766 0.214 4.335
362 H GLY 557 H GLY 557 -14.062 -2.918 2.754
363 HA2 GLY 557 2HA GLY 557 -16.079 -1.191 3.885
364 HA3 GLY 557 1HA GLY 557 -16.310 -1.527 2.175
365 H LEU 558 H LEU 558 -16.307 -3.872 1.567
366 HA LEU 558 HA LEU 558 -17.201 -5.634 3.716
367 HB2 LEU 558 2HB LEU 558 -19.154 -6.351 2.408
368 HB3 LEU 558 1HB LEU 558 -19.241 -4.670 2.892
369 HG LEU 558 HG LEU 558 -18.228 -5.370 0.164
370 HD11 LEU 558 1HD1 LEU 558 -20.179 -6.502 -0.107
371 HD12 LEU 558 2HD1 LEU 558 -20.758 -4.866 -0.418
372 HD13 LEU 558 3HD1 LEU 558 -21.009 -5.603 1.164
373 HD21 LEU 558 3HD2 LEU 558 -18.435 -3.178 -0.239
374 HD22 LEU 558 1HD2 LEU 558 -18.494 -3.011 1.516
375 HD23 LEU 558 2HD2 LEU 558 -19.991 -3.077 0.586
376 H ARG 559 H ARG 559 -16.309 -5.279 0.314
377 HA ARG 559 HA ARG 559 -14.439 -7.306 0.250
378 HB2 ARG 559 2HB ARG 559 -15.766 -9.035 -1.082
379 HB3 ARG 559 1HB ARG 559 -16.086 -8.968 0.649
380 HG2 ARG 559 2HG ARG 559 -18.236 -8.862 0.062
381 HG3 ARG 559 1HG ARG 559 -17.886 -7.175 -0.327
382 HD2 ARG 559 2HD ARG 559 -18.272 -7.524 -2.479
383 HD3 ARG 559 1HD ARG 559 -17.131 -8.868 -2.518
384 HE ARG 559 HE ARG 559 -19.944 -9.057 -2.546
385 HH11 ARG 559 1HH1 ARG 559 -17.140 -10.594 -1.147
386 HH12 ARG 559 2HH1 ARG 559 -17.906 -12.140 -1.000
387 HH21 ARG 559 1HH2 ARG 559 -20.953 -11.090 -2.353
388 HH22 ARG 559 2HH2 ARG 559 -20.070 -12.422 -1.685
389 H GLN 560 H GLN 560 -15.054 -4.752 -0.812
390 HA GLN 560 HA GLN 560 -15.288 -5.145 -3.685
391 HB2 GLN 560 2HB GLN 560 -15.656 -2.833 -3.878
392 HB3 GLN 560 1HB GLN 560 -16.474 -3.281 -2.391
393 HG2 GLN 560 2HG GLN 560 -13.691 -2.148 -2.416
394 HG3 GLN 560 1HG GLN 560 -15.132 -1.138 -2.370
395 HE21 GLN 560 1HE2 GLN 560 -13.373 -3.659 -0.673
396 HE22 GLN 560 2HE2 GLN 560 -14.009 -3.309 0.893
Start of MODEL 3
1 H1 ALA 507 1HT ALA 507 -7.362 -9.250 -6.209
2 H2 ALA 507 2HT ALA 507 -6.672 -10.541 -7.107
3 H3 ALA 507 3HT ALA 507 -7.473 -10.857 -5.623
4 HA ALA 507 HA ALA 507 -8.578 -10.122 -8.223
5 HB1 ALA 507 1HB ALA 507 -8.755 -12.378 -6.310
6 HB2 ALA 507 2HB ALA 507 -8.713 -12.384 -8.073
7 HB3 ALA 507 3HB ALA 507 -10.206 -11.975 -7.228
8 H GLN 508 H GLN 508 -9.371 -10.259 -4.755
9 HA GLN 508 HA GLN 508 -10.872 -7.867 -4.817
10 HB2 GLN 508 2HB GLN 508 -13.118 -8.828 -4.388
11 HB3 GLN 508 1HB GLN 508 -12.526 -9.167 -6.009
12 HG2 GLN 508 2HG GLN 508 -12.038 -11.418 -5.456
13 HG3 GLN 508 1HG GLN 508 -12.287 -11.117 -3.737
14 HE21 GLN 508 1HE2 GLN 508 -14.360 -11.005 -2.924
15 HE22 GLN 508 2HE2 GLN 508 -15.745 -11.502 -3.828
16 HA PRO 509 HA PRO 509 -9.661 -9.719 -0.667
17 HB2 PRO 509 2HB PRO 509 -7.484 -8.246 -0.122
18 HB3 PRO 509 1HB PRO 509 -7.392 -9.709 -1.111
19 HG2 PRO 509 2HG PRO 509 -7.455 -6.842 -1.970
20 HG3 PRO 509 1HG PRO 509 -6.452 -8.171 -2.579
21 HD2 PRO 509 2HD PRO 509 -8.728 -7.286 -3.821
22 HD3 PRO 509 1HD PRO 509 -8.101 -8.939 -3.970
23 H LYS 510 H LYS 510 -10.189 -8.811 1.298
24 HA LYS 510 HA LYS 510 -11.650 -6.356 1.243
25 HB2 LYS 510 2HB LYS 510 -10.801 -7.885 3.702
26 HB3 LYS 510 1HB LYS 510 -12.173 -6.798 3.533
27 HG2 LYS 510 2HG LYS 510 -13.479 -8.371 2.573
28 HG3 LYS 510 1HG LYS 510 -12.129 -9.137 1.734
29 HD2 LYS 510 2HD LYS 510 -11.380 -9.979 4.006
30 HD3 LYS 510 1HD LYS 510 -12.950 -9.450 4.612
31 HE2 LYS 510 2HE LYS 510 -14.098 -11.055 3.434
32 HE3 LYS 510 1HE LYS 510 -12.849 -11.192 2.197
33 HZ1 LYS 510 3HZ LYS 510 -13.047 -13.120 3.762
34 HZ2 LYS 510 1HZ LYS 510 -12.455 -12.112 4.986
35 HZ3 LYS 510 2HZ LYS 510 -11.497 -12.456 3.637
36 H CYS 511 H CYS 511 -10.773 -4.400 1.325
37 HA CYS 511 HA CYS 511 -9.393 -2.661 1.825
38 HB2 CYS 511 2HB CYS 511 -8.430 -4.280 4.183
39 HB3 CYS 511 1HB CYS 511 -8.472 -2.527 4.018
40 H ASN 512 H ASN 512 -7.745 -2.302 0.514
41 HA ASN 512 HA ASN 512 -5.674 -4.314 0.226
42 HB2 ASN 512 2HB ASN 512 -6.042 -1.818 -1.425
43 HB3 ASN 512 1HB ASN 512 -5.009 -3.191 -1.794
44 HD21 ASN 512 1HD2 ASN 512 -8.405 -2.395 -1.139
45 HD22 ASN 512 2HD2 ASN 512 -9.060 -3.527 -2.261
46 HA PRO 513 HA PRO 513 -3.057 -0.736 1.765
47 HB2 PRO 513 2HB PRO 513 -3.886 1.778 1.355
48 HB3 PRO 513 1HB PRO 513 -3.382 0.740 0.020
49 HG2 PRO 513 2HG PRO 513 -6.053 1.723 0.636
50 HG3 PRO 513 1HG PRO 513 -5.482 0.894 -0.820
51 HD2 PRO 513 2HD PRO 513 -6.810 -0.225 1.573
52 HD3 PRO 513 1HD PRO 513 -6.707 -0.876 -0.076
53 H ASN 514 H ASN 514 -5.818 -1.351 3.256
54 HA ASN 514 HA ASN 514 -5.358 0.593 5.419
55 HB2 ASN 514 2HB ASN 514 -7.850 -0.400 4.162
56 HB3 ASN 514 1HB ASN 514 -7.877 -0.272 5.919
57 HD21 ASN 514 1HD2 ASN 514 -7.968 1.414 2.945
58 HD22 ASN 514 2HD2 ASN 514 -8.084 3.010 3.593
59 H LEU 515 H LEU 515 -3.735 -1.451 5.496
60 HA LEU 515 HA LEU 515 -4.897 -3.291 7.478
61 HB2 LEU 515 2HB LEU 515 -2.476 -4.191 6.072
62 HB3 LEU 515 1HB LEU 515 -3.904 -5.089 6.539
63 HG LEU 515 HG LEU 515 -3.793 -5.173 4.183
64 HD11 LEU 515 1HD1 LEU 515 -5.981 -4.871 4.078
65 HD12 LEU 515 2HD1 LEU 515 -5.731 -3.137 3.895
66 HD13 LEU 515 3HD1 LEU 515 -5.928 -3.833 5.501
67 HD21 LEU 515 3HD2 LEU 515 -3.970 -2.472 3.346
68 HD22 LEU 515 1HD2 LEU 515 -2.690 -3.643 3.022
69 HD23 LEU 515 2HD2 LEU 515 -2.598 -2.607 4.446
70 H HIS 516 H HIS 516 -1.670 -2.208 6.367
71 HA HIS 516 HA HIS 516 -0.991 -1.043 8.854
72 HB2 HIS 516 2HB HIS 516 0.279 -2.641 9.920
73 HB3 HIS 516 1HB HIS 516 -0.981 -3.648 9.209
74 HD1 HIS 516 1HD HIS 516 -0.308 -5.156 7.221
75 HD2 HIS 516 2HD HIS 516 2.798 -2.908 8.802
76 HE1 HIS 516 1HE HIS 516 1.763 -6.010 6.097
77 HE2 HIS 516 2HE HIS 516 3.643 -4.625 7.048
78 H TYR 517 H TYR 517 0.602 -2.859 6.218
79 HA TYR 517 HA TYR 517 2.962 -1.442 6.102
80 HB2 TYR 517 2HB TYR 517 2.306 -2.048 3.404
81 HB3 TYR 517 1HB TYR 517 3.449 -2.848 4.457
82 HD1 TYR 517 1HD TYR 517 -0.313 -2.948 4.706
83 HD2 TYR 517 2HD TYR 517 3.280 -5.036 3.771
84 HE1 TYR 517 1HE TYR 517 -1.585 -5.028 4.486
85 HE2 TYR 517 2HE TYR 517 2.006 -7.125 3.555
86 HH TYR 517 HH TYR 517 -1.255 -7.409 4.570
87 H TRP 518 H TRP 518 -0.080 -0.183 5.404
88 HA TRP 518 HA TRP 518 1.152 1.987 3.850
89 HB2 TRP 518 2HB TRP 518 -1.767 1.368 3.602
90 HB3 TRP 518 1HB TRP 518 -0.684 2.098 2.438
91 HD1 TRP 518 HD TRP 518 -0.085 -1.322 4.064
92 HE1 TRP 518 1HE TRP 518 -0.066 -3.080 2.258
93 HE3 TRP 518 3HE TRP 518 -1.442 1.580 0.095
94 HZ2 TRP 518 2HZ TRP 518 -0.582 -3.286 -0.507
95 HZ3 TRP 518 3HZ TRP 518 -1.668 0.515 -2.107
96 HH2 TRP 518 HH TRP 518 -1.245 -1.872 -2.404
97 H THR 519 H THR 519 -1.091 1.041 6.331
98 HA THR 519 HA THR 519 -1.916 3.737 6.947
99 HB THR 519 HB THR 519 -3.457 1.850 7.239
100 HG1 THR 519 1HG THR 519 -4.065 2.349 9.405
101 HG21 THR 519 3HG2 THR 519 -1.255 0.792 8.886
102 HG22 THR 519 1HG2 THR 519 -2.471 -0.052 7.927
103 HG23 THR 519 2HG2 THR 519 -2.888 0.574 9.522
104 H THR 520 H THR 520 0.703 1.707 7.787
105 HA THR 520 HA THR 520 1.136 2.959 10.366
106 HB THR 520 HB THR 520 1.714 0.480 9.520
107 HG1 THR 520 1HG THR 520 3.090 0.377 11.339
108 HG21 THR 520 3HG2 THR 520 4.171 0.228 9.392
109 HG22 THR 520 1HG2 THR 520 4.305 1.972 9.167
110 HG23 THR 520 2HG2 THR 520 3.465 0.987 7.968
111 H GLN 521 H GLN 521 3.014 2.701 7.345
112 HA GLN 521 HA GLN 521 4.492 5.078 8.177
113 HB2 GLN 521 2HB GLN 521 6.229 4.417 6.736
114 HB3 GLN 521 1HB GLN 521 5.676 2.937 7.506
115 HG2 GLN 521 2HG GLN 521 4.699 2.143 5.563
116 HG3 GLN 521 1HG GLN 521 4.639 3.738 4.826
117 HE21 GLN 521 1HE2 GLN 521 6.757 4.746 4.312
118 HE22 GLN 521 2HE2 GLN 521 8.027 3.710 3.767
119 H ASP 522 H ASP 522 5.351 5.751 5.528
120 HA ASP 522 HA ASP 522 2.927 7.123 4.628
121 HB2 ASP 522 2HB ASP 522 5.839 7.737 4.454
122 HB3 ASP 522 1HB ASP 522 4.714 8.491 3.331
123 H GLU 523 H GLU 523 3.474 4.399 3.923
124 HA GLU 523 HA GLU 523 3.661 2.978 2.134
125 HB2 GLU 523 2HB GLU 523 1.830 5.135 1.495
126 HB3 GLU 523 1HB GLU 523 2.544 4.442 0.043
127 HG2 GLU 523 2HG GLU 523 1.884 2.205 0.859
128 HG3 GLU 523 1HG GLU 523 1.047 2.991 2.196
129 H GLY 524 H GLY 524 6.016 3.467 2.301
130 HA2 GLY 524 2HA GLY 524 7.894 3.425 0.862
131 HA3 GLY 524 1HA GLY 524 6.976 4.365 -0.311
132 H ALA 525 H ALA 525 6.007 6.168 1.829
133 HA ALA 525 HA ALA 525 6.546 8.227 2.592
134 HB1 ALA 525 1HB ALA 525 8.062 6.393 3.952
135 HB2 ALA 525 2HB ALA 525 7.807 8.076 4.416
136 HB3 ALA 525 3HB ALA 525 9.231 7.626 3.478
137 H ALA 526 H ALA 526 7.790 7.259 -0.142
138 HA ALA 526 HA ALA 526 9.187 8.094 -1.728
139 HB1 ALA 526 1HB ALA 526 7.347 9.927 -1.156
140 HB2 ALA 526 2HB ALA 526 8.613 10.204 -2.352
141 HB3 ALA 526 3HB ALA 526 8.785 10.850 -0.719
142 H ILE 527 H ILE 527 10.229 7.704 1.144
143 HA ILE 527 HA ILE 527 12.224 9.546 1.712
144 HB ILE 527 HB ILE 527 13.402 7.355 2.652
145 HG12 ILE 527 2HG1 ILE 527 11.858 5.614 3.238
146 HG13 ILE 527 1HG1 ILE 527 10.508 6.508 2.555
147 HG21 ILE 527 1HG2 ILE 527 11.038 7.931 4.241
148 HG22 ILE 527 2HG2 ILE 527 11.872 9.377 3.673
149 HG23 ILE 527 3HG2 ILE 527 12.745 8.170 4.616
150 HD11 ILE 527 3HD1 ILE 527 11.086 5.989 0.399
151 HD12 ILE 527 1HD1 ILE 527 11.585 4.531 1.256
152 HD13 ILE 527 2HD1 ILE 527 12.785 5.741 0.799
153 H GLY 528 H GLY 528 12.085 7.182 -0.790
154 HA2 GLY 528 2HA GLY 528 14.137 8.140 -2.309
155 HA3 GLY 528 1HA GLY 528 14.929 7.021 -1.212
156 H LEU 529 H LEU 529 12.692 5.187 -1.097
157 HA LEU 529 HA LEU 529 11.855 3.364 -2.143
158 HB2 LEU 529 2HB LEU 529 11.753 5.445 -4.114
159 HB3 LEU 529 1HB LEU 529 12.084 3.906 -4.886
160 HG LEU 529 HG LEU 529 9.685 4.683 -3.252
161 HD11 LEU 529 1HD1 LEU 529 8.940 3.343 -5.557
162 HD12 LEU 529 2HD1 LEU 529 10.310 4.334 -6.060
163 HD13 LEU 529 3HD1 LEU 529 8.908 5.088 -5.299
164 HD21 LEU 529 3HD2 LEU 529 10.768 1.972 -3.883
165 HD22 LEU 529 1HD2 LEU 529 9.026 2.229 -3.763
166 HD23 LEU 529 2HD2 LEU 529 10.068 2.577 -2.379
167 H ALA 530 H ALA 530 14.527 4.580 -4.095
168 HA ALA 530 HA ALA 530 15.334 1.978 -4.864
169 HB1 ALA 530 1HB ALA 530 16.751 4.623 -5.104
170 HB2 ALA 530 2HB ALA 530 15.795 3.804 -6.338
171 HB3 ALA 530 3HB ALA 530 17.332 3.117 -5.814
172 H TRP 531 H TRP 531 16.037 3.915 -2.129
173 HA TRP 531 HA TRP 531 18.529 3.262 -1.291
174 HB2 TRP 531 2HB TRP 531 17.564 3.289 1.061
175 HB3 TRP 531 1HB TRP 531 17.183 4.691 0.067
176 HD1 TRP 531 HD TRP 531 14.724 4.200 -1.372
177 HE1 TRP 531 1HE TRP 531 12.511 3.545 -0.313
178 HE3 TRP 531 3HE TRP 531 16.484 2.316 3.029
179 HZ2 TRP 531 2HZ TRP 531 11.584 2.382 2.097
180 HZ3 TRP 531 3HZ TRP 531 14.863 1.455 4.670
181 HH2 TRP 531 HH TRP 531 12.464 1.489 4.211
182 H ILE 532 H ILE 532 15.766 1.144 -1.501
183 HA ILE 532 HA ILE 532 17.262 -1.019 -0.207
184 HB ILE 532 HB ILE 532 15.122 -2.194 -0.142
185 HG12 ILE 532 2HG1 ILE 532 14.393 -0.270 -2.102
186 HG13 ILE 532 1HG1 ILE 532 13.453 -1.629 -1.505
187 HG21 ILE 532 1HG2 ILE 532 13.981 -0.625 1.448
188 HG22 ILE 532 2HG2 ILE 532 15.179 0.586 0.984
189 HG23 ILE 532 3HG2 ILE 532 15.693 -0.910 1.770
190 HD11 ILE 532 3HD1 ILE 532 12.638 -0.154 0.334
191 HD12 ILE 532 1HD1 ILE 532 12.140 0.336 -1.283
192 HD13 ILE 532 2HD1 ILE 532 13.449 1.189 -0.471
193 HA PRO 533 HA PRO 533 18.246 -3.207 -3.887
194 HB2 PRO 533 2HB PRO 533 16.954 -5.562 -2.595
195 HB3 PRO 533 1HB PRO 533 18.567 -5.411 -3.301
196 HG2 PRO 533 2HG PRO 533 18.248 -5.431 -0.663
197 HG3 PRO 533 1HG PRO 533 19.432 -4.353 -1.425
198 HD2 PRO 533 2HD PRO 533 16.744 -3.720 -0.289
199 HD3 PRO 533 1HD PRO 533 18.236 -2.757 -0.265
200 H TYR 534 H TYR 534 15.095 -4.240 -2.552
201 HA TYR 534 HA TYR 534 13.766 -3.505 -5.004
202 HB2 TYR 534 2HB TYR 534 12.887 -5.750 -5.489
203 HB3 TYR 534 1HB TYR 534 14.641 -5.683 -5.632
204 HD1 TYR 534 1HD TYR 534 11.852 -6.857 -3.514
205 HD2 TYR 534 2HD TYR 534 16.040 -7.017 -4.242
206 HE1 TYR 534 1HE TYR 534 12.042 -8.754 -1.961
207 HE2 TYR 534 2HE TYR 534 16.242 -8.916 -2.692
208 HH TYR 534 HH TYR 534 15.073 -9.925 -0.854
209 H PHE 535 H PHE 535 13.668 -3.579 -1.762
210 HA PHE 535 HA PHE 535 11.112 -4.572 -1.140
211 HB2 PHE 535 2HB PHE 535 12.317 -2.227 0.303
212 HB3 PHE 535 1HB PHE 535 11.333 -3.531 0.949
213 HD1 PHE 535 1HD PHE 535 13.117 -5.646 -0.665
214 HD2 PHE 535 2HD PHE 535 13.893 -2.531 2.130
215 HE1 PHE 535 1HE PHE 535 15.161 -6.808 0.060
216 HE2 PHE 535 2HE PHE 535 15.938 -3.687 2.857
217 HZ PHE 535 HZ PHE 535 16.574 -5.825 1.822
218 H GLY 536 H GLY 536 12.169 -1.610 -2.591
219 HA2 GLY 536 2HA GLY 536 9.452 -0.500 -2.390
220 HA3 GLY 536 1HA GLY 536 10.905 0.437 -2.685
221 HA PRO 537 HA PRO 537 10.679 0.170 -7.085
222 HB2 PRO 537 2HB PRO 537 12.778 -1.925 -7.308
223 HB3 PRO 537 1HB PRO 537 12.696 -0.330 -8.064
224 HG2 PRO 537 2HG PRO 537 14.355 -0.781 -6.030
225 HG3 PRO 537 1HG PRO 537 13.480 0.756 -6.166
226 HD2 PRO 537 2HD PRO 537 12.936 -1.586 -4.389
227 HD3 PRO 537 1HD PRO 537 12.803 0.148 -4.040
228 H ALA 538 H ALA 538 11.154 -3.067 -5.708
229 HA ALA 538 HA ALA 538 9.438 -4.234 -7.759
230 HB1 ALA 538 1HB ALA 538 11.608 -5.298 -7.021
231 HB2 ALA 538 2HB ALA 538 10.194 -6.351 -7.029
232 HB3 ALA 538 3HB ALA 538 10.795 -5.694 -5.507
233 H ALA 539 H ALA 539 9.085 -2.835 -4.743
234 HA ALA 539 HA ALA 539 7.322 -4.439 -3.347
235 HB1 ALA 539 1HB ALA 539 8.272 -1.820 -3.159
236 HB2 ALA 539 2HB ALA 539 7.314 -2.696 -1.969
237 HB3 ALA 539 3HB ALA 539 6.515 -1.680 -3.169
238 H GLU 540 H GLU 540 6.149 -1.589 -5.106
239 HA GLU 540 HA GLU 540 4.401 -1.257 -6.508
240 HB2 GLU 540 2HB GLU 540 3.931 -4.221 -6.486
241 HB3 GLU 540 1HB GLU 540 3.409 -3.061 -7.695
242 HG2 GLU 540 2HG GLU 540 6.229 -2.887 -7.463
243 HG3 GLU 540 1HG GLU 540 5.791 -4.589 -7.609
244 H GLY 541 H GLY 541 3.767 -3.675 -3.981
245 HA2 GLY 541 2HA GLY 541 1.127 -2.418 -3.581
246 HA3 GLY 541 1HA GLY 541 1.500 -4.087 -3.182
247 H ILE 542 H ILE 542 3.562 -1.332 -2.471
248 HA ILE 542 HA ILE 542 2.745 -1.301 0.316
249 HB ILE 542 HB ILE 542 5.669 -1.632 -0.159
250 HG12 ILE 542 2HG1 ILE 542 5.331 -4.121 0.336
251 HG13 ILE 542 1HG1 ILE 542 3.654 -3.875 -0.138
252 HG21 ILE 542 1HG2 ILE 542 4.248 -1.097 2.046
253 HG22 ILE 542 2HG2 ILE 542 5.782 -1.967 2.075
254 HG23 ILE 542 3HG2 ILE 542 4.262 -2.859 2.129
255 HD11 ILE 542 3HD1 ILE 542 4.314 -4.325 -2.205
256 HD12 ILE 542 1HD1 ILE 542 6.018 -4.184 -1.771
257 HD13 ILE 542 2HD1 ILE 542 5.095 -2.742 -2.202
258 H TYR 543 H TYR 543 4.725 -0.079 -2.308
259 HA TYR 543 HA TYR 543 5.306 2.353 -0.865
260 HB2 TYR 543 2HB TYR 543 7.095 2.531 -2.242
261 HB3 TYR 543 1HB TYR 543 6.809 0.821 -2.493
262 HD1 TYR 543 1HD TYR 543 5.458 0.111 -4.501
263 HD2 TYR 543 2HD TYR 543 7.004 4.043 -4.044
264 HE1 TYR 543 1HE TYR 543 5.197 0.486 -6.910
265 HE2 TYR 543 2HE TYR 543 6.744 4.436 -6.454
266 HH TYR 543 HH TYR 543 4.993 2.293 -8.487
267 H ILE 544 H ILE 544 3.710 1.273 -3.829
268 HA ILE 544 HA ILE 544 2.429 2.367 -5.384
269 HB ILE 544 HB ILE 544 0.959 3.286 -2.928
270 HG12 ILE 544 2HG1 ILE 544 -0.261 1.086 -3.161
271 HG13 ILE 544 1HG1 ILE 544 1.037 0.566 -4.227
272 HG21 ILE 544 1HG2 ILE 544 -0.799 2.364 -4.888
273 HG22 ILE 544 2HG2 ILE 544 0.415 3.306 -5.754
274 HG23 ILE 544 3HG2 ILE 544 -0.490 4.039 -4.431
275 HD11 ILE 544 3HD1 ILE 544 1.777 1.614 -1.557
276 HD12 ILE 544 1HD1 ILE 544 2.522 0.345 -2.528
277 HD13 ILE 544 2HD1 ILE 544 1.032 0.019 -1.648
278 H GLU 545 H GLU 545 2.160 4.651 -2.706
279 HA GLU 545 HA GLU 545 2.531 6.884 -2.537
280 HB2 GLU 545 2HB GLU 545 4.161 6.728 -5.059
281 HB3 GLU 545 1HB GLU 545 4.338 7.846 -3.711
282 HG2 GLU 545 2HG GLU 545 4.908 5.838 -2.293
283 HG3 GLU 545 1HG GLU 545 5.022 4.924 -3.795
284 H GLY 546 H GLY 546 0.308 5.804 -4.004
285 HA2 GLY 546 2HA GLY 546 -0.339 8.191 -5.592
286 HA3 GLY 546 1HA GLY 546 -0.646 6.598 -6.265
287 H LEU 547 H LEU 547 -1.234 6.055 -3.136
288 HA LEU 547 HA LEU 547 -3.947 7.183 -3.161
289 HB2 LEU 547 2HB LEU 547 -5.045 5.193 -2.988
290 HB3 LEU 547 1HB LEU 547 -3.721 4.744 -4.044
291 HG LEU 547 HG LEU 547 -3.779 4.243 -1.067
292 HD11 LEU 547 1HD1 LEU 547 -5.298 2.694 -1.686
293 HD12 LEU 547 2HD1 LEU 547 -3.857 1.802 -2.174
294 HD13 LEU 547 3HD1 LEU 547 -4.785 2.704 -3.373
295 HD21 LEU 547 3HD2 LEU 547 -1.911 3.269 -3.222
296 HD22 LEU 547 1HD2 LEU 547 -1.864 2.801 -1.523
297 HD23 LEU 547 2HD2 LEU 547 -1.531 4.470 -1.989
298 H MET 548 H MET 548 -1.159 6.569 -1.431
299 HA MET 548 HA MET 548 -2.255 6.159 1.157
300 HB2 MET 548 2HB MET 548 0.126 7.140 1.817
301 HB3 MET 548 1HB MET 548 -0.065 5.507 1.214
302 HG2 MET 548 2HG MET 548 1.824 6.520 0.161
303 HG3 MET 548 1HG MET 548 0.562 6.306 -1.045
304 HE1 MET 548 3HE MET 548 1.077 9.013 -2.889
305 HE2 MET 548 1HE MET 548 -0.559 9.255 -2.278
306 HE3 MET 548 2HE MET 548 0.057 7.623 -2.523
307 H HIS 549 H HIS 549 -3.904 7.914 0.683
308 HA HIS 549 HA HIS 549 -2.880 10.532 1.551
309 HB2 HIS 549 2HB HIS 549 -5.596 10.176 0.345
310 HB3 HIS 549 1HB HIS 549 -4.537 11.581 0.308
311 HD1 HIS 549 1HD HIS 549 -5.925 10.080 -2.184
312 HD2 HIS 549 2HD HIS 549 -1.945 9.851 -1.014
313 HE1 HIS 549 1HE HIS 549 -4.658 9.377 -4.240
314 HE2 HIS 549 2HE HIS 549 -2.240 9.351 -3.534
315 H ASN 550 H ASN 550 -5.957 8.738 1.715
316 HA ASN 550 HA ASN 550 -6.127 8.284 4.401
317 HB2 ASN 550 2HB ASN 550 -6.502 11.119 3.785
318 HB3 ASN 550 1HB ASN 550 -7.848 10.427 4.682
319 HD21 ASN 550 1HD2 ASN 550 -7.068 8.947 6.532
320 HD22 ASN 550 2HD2 ASN 550 -5.830 9.616 7.535
321 H GLN 551 H GLN 551 -7.060 6.732 2.664
322 HA GLN 551 HA GLN 551 -9.950 7.245 2.436
323 HB2 GLN 551 2HB GLN 551 -9.526 5.227 0.649
324 HB3 GLN 551 1HB GLN 551 -9.608 6.933 0.243
325 HG2 GLN 551 2HG GLN 551 -7.693 6.338 -0.822
326 HG3 GLN 551 1HG GLN 551 -7.037 6.859 0.724
327 HE21 GLN 551 1HE2 GLN 551 -7.037 4.969 2.385
328 HE22 GLN 551 2HE2 GLN 551 -6.362 3.492 1.806
329 H ASP 552 H ASP 552 -11.053 4.948 2.004
330 HA ASP 552 HA ASP 552 -10.144 2.684 3.354
331 HB2 ASP 552 2HB ASP 552 -11.408 2.772 5.435
332 HB3 ASP 552 1HB ASP 552 -10.291 4.129 5.350
333 H GLY 553 H GLY 553 -12.685 4.592 2.042
334 HA2 GLY 553 2HA GLY 553 -14.615 2.416 2.078
335 HA3 GLY 553 1HA GLY 553 -14.874 4.027 1.427
336 H LEU 554 H LEU 554 -12.368 3.899 -0.130
337 HA LEU 554 HA LEU 554 -13.473 2.608 -2.462
338 HB2 LEU 554 2HB LEU 554 -11.474 3.544 -3.596
339 HB3 LEU 554 1HB LEU 554 -12.458 4.741 -2.776
340 HG LEU 554 HG LEU 554 -10.547 4.003 -0.878
341 HD11 LEU 554 1HD1 LEU 554 -8.499 3.813 -1.839
342 HD12 LEU 554 2HD1 LEU 554 -8.965 4.710 -3.285
343 HD13 LEU 554 3HD1 LEU 554 -9.462 3.029 -3.091
344 HD21 LEU 554 3HD2 LEU 554 -9.569 6.309 -1.724
345 HD22 LEU 554 1HD2 LEU 554 -11.105 6.213 -0.863
346 HD23 LEU 554 2HD2 LEU 554 -11.087 6.348 -2.621
347 H ILE 555 H ILE 555 -11.693 1.487 0.079
348 HA ILE 555 HA ILE 555 -10.687 -0.750 -1.502
349 HB ILE 555 HB ILE 555 -8.576 -0.761 -0.203
350 HG12 ILE 555 2HG1 ILE 555 -9.370 0.640 1.686
351 HG13 ILE 555 1HG1 ILE 555 -7.863 1.211 1.002
352 HG21 ILE 555 1HG2 ILE 555 -7.516 0.396 -1.801
353 HG22 ILE 555 2HG2 ILE 555 -8.457 1.863 -1.510
354 HG23 ILE 555 3HG2 ILE 555 -9.135 0.559 -2.487
355 HD11 ILE 555 3HD1 ILE 555 -10.455 2.513 1.142
356 HD12 ILE 555 1HD1 ILE 555 -9.649 2.641 -0.418
357 HD13 ILE 555 2HD1 ILE 555 -8.835 3.200 1.042
358 H CYS 556 H CYS 556 -11.291 0.632 1.691
359 HA CYS 556 HA CYS 556 -11.523 -2.053 2.795
360 HB2 CYS 556 2HB CYS 556 -10.206 0.072 3.787
361 HB3 CYS 556 1HB CYS 556 -11.771 0.344 4.532
362 H GLY 557 H GLY 557 -13.593 -2.239 1.541
363 HA2 GLY 557 2HA GLY 557 -15.807 -1.061 3.106
364 HA3 GLY 557 1HA GLY 557 -15.887 -1.250 1.363
365 H LEU 558 H LEU 558 -15.480 -3.594 0.620
366 HA LEU 558 HA LEU 558 -16.666 -5.489 2.515
367 HB2 LEU 558 2HB LEU 558 -18.181 -6.348 0.856
368 HB3 LEU 558 1HB LEU 558 -18.447 -4.627 1.051
369 HG LEU 558 HG LEU 558 -16.855 -5.836 -1.210
370 HD11 LEU 558 1HD1 LEU 558 -18.739 -5.685 -2.587
371 HD12 LEU 558 2HD1 LEU 558 -19.636 -4.731 -1.405
372 HD13 LEU 558 3HD1 LEU 558 -19.326 -6.442 -1.107
373 HD21 LEU 558 3HD2 LEU 558 -16.187 -3.727 -1.483
374 HD22 LEU 558 1HD2 LEU 558 -17.328 -3.130 -0.279
375 HD23 LEU 558 2HD2 LEU 558 -17.848 -3.361 -1.948
376 H ARG 559 H ARG 559 -15.083 -5.135 -0.662
377 HA ARG 559 HA ARG 559 -13.004 -6.901 -0.110
378 HB2 ARG 559 2HB ARG 559 -13.621 -8.912 -1.279
379 HB3 ARG 559 1HB ARG 559 -14.851 -8.580 -0.068
380 HG2 ARG 559 2HG ARG 559 -15.460 -7.357 -2.626
381 HG3 ARG 559 1HG ARG 559 -15.289 -9.113 -2.734
382 HD2 ARG 559 2HD ARG 559 -16.892 -7.993 -0.495
383 HD3 ARG 559 1HD ARG 559 -17.592 -7.953 -2.113
384 HE ARG 559 HE ARG 559 -16.533 -10.520 -1.353
385 HH11 ARG 559 1HH1 ARG 559 -19.330 -8.434 -1.284
386 HH12 ARG 559 2HH1 ARG 559 -20.454 -9.739 -1.107
387 HH21 ARG 559 1HH2 ARG 559 -18.010 -12.236 -1.122
388 HH22 ARG 559 2HH2 ARG 559 -19.704 -11.898 -1.016
389 H GLN 560 H GLN 560 -13.412 -4.456 -1.413
390 HA GLN 560 HA GLN 560 -12.872 -5.043 -4.230
391 HB2 GLN 560 2HB GLN 560 -13.387 -2.785 -4.719
392 HB3 GLN 560 1HB GLN 560 -14.595 -3.317 -3.559
393 HG2 GLN 560 2HG GLN 560 -12.423 -2.215 -2.108
394 HG3 GLN 560 1HG GLN 560 -12.838 -1.097 -3.407
395 HE21 GLN 560 1HE2 GLN 560 -14.075 -2.837 -0.628
396 HE22 GLN 560 2HE2 GLN 560 -15.415 -1.791 -0.334
Start of MODEL 4
1 H1 ALA 507 1HT ALA 507 -11.406 -9.844 -5.812
2 H2 ALA 507 2HT ALA 507 -10.920 -11.405 -6.334
3 H3 ALA 507 3HT ALA 507 -11.096 -11.075 -4.660
4 HA ALA 507 HA ALA 507 -13.159 -11.334 -6.722
5 HB1 ALA 507 1HB ALA 507 -14.085 -12.892 -4.967
6 HB2 ALA 507 2HB ALA 507 -12.551 -12.709 -4.117
7 HB3 ALA 507 3HB ALA 507 -12.584 -13.405 -5.737
8 H GLN 508 H GLN 508 -12.981 -10.806 -3.200
9 HA GLN 508 HA GLN 508 -14.356 -8.327 -3.272
10 HB2 GLN 508 2HB GLN 508 -16.477 -9.050 -2.255
11 HB3 GLN 508 1HB GLN 508 -16.265 -9.718 -3.866
12 HG2 GLN 508 2HG GLN 508 -15.995 -11.857 -3.098
13 HG3 GLN 508 1HG GLN 508 -15.402 -11.333 -1.523
14 HE21 GLN 508 1HE2 GLN 508 -17.014 -10.253 -0.120
15 HE22 GLN 508 2HE2 GLN 508 -18.634 -10.852 -0.142
16 HA PRO 509 HA PRO 509 -12.269 -9.679 0.719
17 HB2 PRO 509 2HB PRO 509 -9.952 -8.342 0.513
18 HB3 PRO 509 1HB PRO 509 -10.178 -9.923 -0.244
19 HG2 PRO 509 2HG PRO 509 -10.298 -7.199 -1.475
20 HG3 PRO 509 1HG PRO 509 -9.545 -8.678 -2.100
21 HD2 PRO 509 2HD PRO 509 -12.010 -7.762 -2.885
22 HD3 PRO 509 1HD PRO 509 -11.519 -9.466 -2.948
23 H LYS 510 H LYS 510 -10.882 -7.861 2.150
24 HA LYS 510 HA LYS 510 -12.416 -5.361 2.068
25 HB2 LYS 510 2HB LYS 510 -11.961 -7.023 4.554
26 HB3 LYS 510 1HB LYS 510 -12.739 -5.447 4.501
27 HG2 LYS 510 2HG LYS 510 -14.700 -6.309 3.880
28 HG3 LYS 510 1HG LYS 510 -13.955 -7.392 2.703
29 HD2 LYS 510 2HD LYS 510 -13.316 -8.239 5.378
30 HD3 LYS 510 1HD LYS 510 -15.062 -8.065 5.193
31 HE2 LYS 510 2HE LYS 510 -14.832 -9.419 3.064
32 HE3 LYS 510 1HE LYS 510 -13.183 -9.772 3.578
33 HZ1 LYS 510 3HZ LYS 510 -14.101 -10.717 5.633
34 HZ2 LYS 510 1HZ LYS 510 -14.647 -11.535 4.257
35 HZ3 LYS 510 2HZ LYS 510 -15.668 -10.449 5.055
36 H CYS 511 H CYS 511 -11.036 -3.717 1.983
37 HA CYS 511 HA CYS 511 -9.189 -2.417 2.273
38 HB2 CYS 511 2HB CYS 511 -9.616 -3.767 4.804
39 HB3 CYS 511 1HB CYS 511 -7.907 -3.440 4.545
40 H ASN 512 H ASN 512 -8.085 -3.139 0.450
41 HA ASN 512 HA ASN 512 -6.343 -5.437 0.660
42 HB2 ASN 512 2HB ASN 512 -6.643 -3.566 -1.687
43 HB3 ASN 512 1HB ASN 512 -5.920 -5.169 -1.690
44 HD21 ASN 512 1HD2 ASN 512 -8.938 -3.415 -1.248
45 HD22 ASN 512 2HD2 ASN 512 -9.973 -4.723 -1.688
46 HA PRO 513 HA PRO 513 -3.010 -2.103 0.479
47 HB2 PRO 513 2HB PRO 513 -3.716 0.410 -0.285
48 HB3 PRO 513 1HB PRO 513 -3.446 -0.911 -1.424
49 HG2 PRO 513 2HG PRO 513 -5.927 0.425 -0.813
50 HG3 PRO 513 1HG PRO 513 -5.627 -0.846 -2.007
51 HD2 PRO 513 2HD PRO 513 -6.681 -1.068 0.750
52 HD3 PRO 513 1HD PRO 513 -6.925 -2.133 -0.648
53 H ASN 514 H ASN 514 -5.398 -2.016 2.551
54 HA ASN 514 HA ASN 514 -4.256 0.154 4.177
55 HB2 ASN 514 2HB ASN 514 -7.075 -0.527 3.546
56 HB3 ASN 514 1HB ASN 514 -6.739 -0.093 5.220
57 HD21 ASN 514 1HD2 ASN 514 -6.994 1.012 1.966
58 HD22 ASN 514 2HD2 ASN 514 -6.795 2.693 2.297
59 H LEU 515 H LEU 515 -2.941 -1.968 4.467
60 HA LEU 515 HA LEU 515 -4.135 -3.569 6.621
61 HB2 LEU 515 2HB LEU 515 -1.655 -4.476 5.286
62 HB3 LEU 515 1HB LEU 515 -3.019 -5.406 5.868
63 HG LEU 515 HG LEU 515 -3.018 -5.684 3.535
64 HD11 LEU 515 1HD1 LEU 515 -5.221 -5.442 3.602
65 HD12 LEU 515 2HD1 LEU 515 -4.989 -3.797 3.014
66 HD13 LEU 515 3HD1 LEU 515 -5.110 -4.104 4.745
67 HD21 LEU 515 3HD2 LEU 515 -2.109 -4.244 2.104
68 HD22 LEU 515 1HD2 LEU 515 -1.733 -3.206 3.480
69 HD23 LEU 515 2HD2 LEU 515 -3.232 -2.972 2.583
70 H HIS 516 H HIS 516 -1.101 -2.002 5.604
71 HA HIS 516 HA HIS 516 -0.529 -0.987 8.151
72 HB2 HIS 516 2HB HIS 516 0.897 -2.472 9.160
73 HB3 HIS 516 1HB HIS 516 -0.165 -3.605 8.332
74 HD1 HIS 516 1HD HIS 516 0.824 -4.954 6.397
75 HD2 HIS 516 2HD HIS 516 3.450 -2.199 8.041
76 HE1 HIS 516 1HE HIS 516 3.040 -5.425 5.319
77 HE2 HIS 516 2HE HIS 516 4.662 -3.867 6.467
78 H TYR 517 H TYR 517 1.296 -2.447 5.448
79 HA TYR 517 HA TYR 517 3.421 -0.681 5.442
80 HB2 TYR 517 2HB TYR 517 2.979 -1.321 2.723
81 HB3 TYR 517 1HB TYR 517 4.174 -1.983 3.815
82 HD1 TYR 517 1HD TYR 517 0.459 -2.587 3.882
83 HD2 TYR 517 2HD TYR 517 4.337 -4.159 3.084
84 HE1 TYR 517 1HE TYR 517 -0.507 -4.822 3.577
85 HE2 TYR 517 2HE TYR 517 3.370 -6.396 2.777
86 HH TYR 517 HH TYR 517 1.214 -7.408 2.212
87 H TRP 518 H TRP 518 0.213 -0.065 4.390
88 HA TRP 518 HA TRP 518 1.166 2.410 3.110
89 HB2 TRP 518 2HB TRP 518 -1.520 1.414 2.372
90 HB3 TRP 518 1HB TRP 518 -0.301 2.180 1.383
91 HD1 TRP 518 HD TRP 518 0.881 -0.986 3.052
92 HE1 TRP 518 1HE TRP 518 1.021 -2.837 1.350
93 HE3 TRP 518 3HE TRP 518 -1.524 1.319 -0.815
94 HZ2 TRP 518 2HZ TRP 518 0.183 -3.333 -1.303
95 HZ3 TRP 518 3HZ TRP 518 -1.810 0.073 -2.917
96 HH2 TRP 518 HH TRP 518 -0.966 -2.206 -3.157
97 H THR 519 H THR 519 -1.429 0.909 4.933
98 HA THR 519 HA THR 519 -3.017 3.111 5.464
99 HB THR 519 HB THR 519 -3.663 0.832 6.052
100 HG1 THR 519 1HG THR 519 -4.456 1.291 8.164
101 HG21 THR 519 3HG2 THR 519 -2.016 0.853 8.511
102 HG22 THR 519 1HG2 THR 519 -1.236 0.399 6.996
103 HG23 THR 519 2HG2 THR 519 -2.641 -0.500 7.572
104 H THR 520 H THR 520 0.005 2.167 6.884
105 HA THR 520 HA THR 520 -0.172 4.229 8.937
106 HB THR 520 HB THR 520 1.395 1.782 8.541
107 HG1 THR 520 1HG THR 520 0.835 3.288 10.872
108 HG21 THR 520 3HG2 THR 520 3.366 3.020 8.397
109 HG22 THR 520 1HG2 THR 520 3.216 2.652 10.117
110 HG23 THR 520 2HG2 THR 520 2.783 4.252 9.517
111 H GLN 521 H GLN 521 2.424 3.242 6.719
112 HA GLN 521 HA GLN 521 3.237 6.039 6.549
113 HB2 GLN 521 2HB GLN 521 5.384 5.244 5.857
114 HB3 GLN 521 1HB GLN 521 4.881 4.290 7.241
115 HG2 GLN 521 2HG GLN 521 4.883 2.387 6.095
116 HG3 GLN 521 1HG GLN 521 4.126 3.113 4.683
117 HE21 GLN 521 1HE2 GLN 521 6.051 5.110 4.147
118 HE22 GLN 521 2HE2 GLN 521 7.499 4.340 3.617
119 H ASP 522 H ASP 522 4.615 6.107 4.263
120 HA ASP 522 HA ASP 522 2.501 6.217 2.284
121 HB2 ASP 522 2HB ASP 522 5.355 7.176 2.206
122 HB3 ASP 522 1HB ASP 522 4.172 7.448 0.932
123 H GLU 523 H GLU 523 3.854 3.654 3.136
124 HA GLU 523 HA GLU 523 4.338 1.655 2.163
125 HB2 GLU 523 2HB GLU 523 3.932 2.978 -0.512
126 HB3 GLU 523 1HB GLU 523 3.785 1.271 -0.120
127 HG2 GLU 523 2HG GLU 523 1.766 1.592 1.024
128 HG3 GLU 523 1HG GLU 523 2.000 3.337 1.114
129 H GLY 524 H GLY 524 6.178 4.278 2.064
130 HA2 GLY 524 2HA GLY 524 8.614 3.608 2.146
131 HA3 GLY 524 1HA GLY 524 8.336 3.022 0.512
132 H ALA 525 H ALA 525 6.662 5.897 1.459
133 HA ALA 525 HA ALA 525 8.359 7.396 -0.372
134 HB1 ALA 525 1HB ALA 525 5.690 7.243 -0.305
135 HB2 ALA 525 2HB ALA 525 6.566 8.637 -0.938
136 HB3 ALA 525 3HB ALA 525 5.932 8.667 0.707
137 H ALA 526 H ALA 526 7.538 7.226 2.983
138 HA ALA 526 HA ALA 526 8.581 9.820 3.587
139 HB1 ALA 526 1HB ALA 526 8.310 8.799 6.004
140 HB2 ALA 526 2HB ALA 526 7.296 7.649 5.135
141 HB3 ALA 526 3HB ALA 526 6.921 9.372 5.080
142 H ILE 527 H ILE 527 10.284 7.672 2.365
143 HA ILE 527 HA ILE 527 12.467 7.775 4.322
144 HB ILE 527 HB ILE 527 12.930 5.501 2.781
145 HG12 ILE 527 2HG1 ILE 527 10.493 5.686 2.129
146 HG13 ILE 527 1HG1 ILE 527 10.962 4.157 2.860
147 HG21 ILE 527 1HG2 ILE 527 13.614 5.171 4.894
148 HG22 ILE 527 2HG2 ILE 527 12.009 4.474 5.114
149 HG23 ILE 527 3HG2 ILE 527 12.315 6.149 5.575
150 HD11 ILE 527 3HD1 ILE 527 8.925 5.959 3.642
151 HD12 ILE 527 1HD1 ILE 527 10.117 5.870 4.938
152 HD13 ILE 527 2HD1 ILE 527 9.348 4.397 4.344
153 H GLY 528 H GLY 528 11.573 7.265 0.920
154 HA2 GLY 528 2HA GLY 528 12.810 9.053 -0.489
155 HA3 GLY 528 1HA GLY 528 14.237 8.235 0.125
156 H LEU 529 H LEU 529 12.352 5.725 -0.086
157 HA LEU 529 HA LEU 529 11.970 4.047 -1.529
158 HB2 LEU 529 2HB LEU 529 11.270 6.325 -2.929
159 HB3 LEU 529 1HB LEU 529 12.320 5.455 -4.033
160 HG LEU 529 HG LEU 529 9.673 4.635 -2.915
161 HD11 LEU 529 1HD1 LEU 529 10.844 4.404 -5.679
162 HD12 LEU 529 2HD1 LEU 529 9.900 5.784 -5.116
163 HD13 LEU 529 3HD1 LEU 529 9.158 4.186 -5.206
164 HD21 LEU 529 3HD2 LEU 529 10.194 2.356 -3.918
165 HD22 LEU 529 1HD2 LEU 529 10.920 2.738 -2.353
166 HD23 LEU 529 2HD2 LEU 529 11.890 2.837 -3.824
167 H ALA 530 H ALA 530 14.569 6.125 -2.706
168 HA ALA 530 HA ALA 530 15.867 3.969 -4.029
169 HB1 ALA 530 1HB ALA 530 16.392 5.945 -5.053
170 HB2 ALA 530 2HB ALA 530 17.815 5.735 -4.034
171 HB3 ALA 530 3HB ALA 530 16.524 6.826 -3.531
172 H TRP 531 H TRP 531 15.905 5.110 -0.814
173 HA TRP 531 HA TRP 531 18.398 4.572 0.164
174 HB2 TRP 531 2HB TRP 531 17.195 3.905 2.305
175 HB3 TRP 531 1HB TRP 531 16.747 5.469 1.637
176 HD1 TRP 531 HD TRP 531 14.511 5.127 -0.186
177 HE1 TRP 531 1HE TRP 531 12.310 3.994 0.391
178 HE3 TRP 531 3HE TRP 531 16.074 2.360 3.809
179 HZ2 TRP 531 2HZ TRP 531 11.323 2.154 2.309
180 HZ3 TRP 531 3HZ TRP 531 14.433 0.940 4.969
181 HH2 TRP 531 HH TRP 531 12.105 0.840 4.235
182 H ILE 532 H ILE 532 16.036 2.320 -0.999
183 HA ILE 532 HA ILE 532 17.709 0.067 -0.135
184 HB ILE 532 HB ILE 532 15.684 -1.298 -0.384
185 HG12 ILE 532 2HG1 ILE 532 14.700 1.169 -1.589
186 HG13 ILE 532 1HG1 ILE 532 14.106 -0.471 -1.754
187 HG21 ILE 532 1HG2 ILE 532 15.570 1.088 1.433
188 HG22 ILE 532 2HG2 ILE 532 16.206 -0.518 1.794
189 HG23 ILE 532 3HG2 ILE 532 14.471 -0.285 1.581
190 HD11 ILE 532 3HD1 ILE 532 12.285 0.403 -0.773
191 HD12 ILE 532 1HD1 ILE 532 13.189 1.711 -0.020
192 HD13 ILE 532 2HD1 ILE 532 13.190 0.106 0.709
193 HA PRO 533 HA PRO 533 18.272 -0.880 -4.421
194 HB2 PRO 533 2HB PRO 533 19.228 -3.352 -4.251
195 HB3 PRO 533 1HB PRO 533 20.087 -1.996 -3.511
196 HG2 PRO 533 2HG PRO 533 18.393 -4.092 -2.235
197 HG3 PRO 533 1HG PRO 533 19.865 -3.314 -1.629
198 HD2 PRO 533 2HD PRO 533 17.220 -2.635 -0.954
199 HD3 PRO 533 1HD PRO 533 18.670 -1.671 -0.618
200 H TYR 534 H TYR 534 16.054 -2.954 -2.614
201 HA TYR 534 HA TYR 534 14.569 -3.417 -5.064
202 HB2 TYR 534 2HB TYR 534 14.542 -5.872 -4.799
203 HB3 TYR 534 1HB TYR 534 16.149 -5.243 -5.147
204 HD1 TYR 534 1HD TYR 534 13.996 -6.180 -2.241
205 HD2 TYR 534 2HD TYR 534 17.927 -5.967 -3.855
206 HE1 TYR 534 1HE TYR 534 14.869 -7.329 -0.249
207 HE2 TYR 534 2HE TYR 534 18.811 -7.117 -1.868
208 HH TYR 534 HH TYR 534 16.850 -8.712 0.358
209 H PHE 535 H PHE 535 14.396 -2.582 -1.941
210 HA PHE 535 HA PHE 535 12.157 -4.190 -1.100
211 HB2 PHE 535 2HB PHE 535 13.290 -1.631 0.026
212 HB3 PHE 535 1HB PHE 535 12.008 -2.558 0.779
213 HD1 PHE 535 2HD PHE 535 15.412 -3.227 -0.612
214 HD2 PHE 535 1HD PHE 535 12.652 -3.791 2.572
215 HE1 PHE 535 2HE PHE 535 17.103 -4.503 0.617
216 HE2 PHE 535 1HE PHE 535 14.344 -5.067 3.813
217 HZ PHE 535 HZ PHE 535 16.575 -5.427 2.836
218 H GLY 536 H GLY 536 12.654 -0.919 -2.302
219 HA2 GLY 536 2HA GLY 536 9.747 -0.565 -2.533
220 HA3 GLY 536 1HA GLY 536 10.920 0.736 -2.439
221 HA PRO 537 HA PRO 537 11.574 1.142 -6.792
222 HB2 PRO 537 2HB PRO 537 14.038 -0.544 -6.745
223 HB3 PRO 537 1HB PRO 537 13.787 1.062 -7.443
224 HG2 PRO 537 2HG PRO 537 15.101 0.768 -5.146
225 HG3 PRO 537 1HG PRO 537 13.992 2.129 -5.393
226 HD2 PRO 537 2HD PRO 537 13.630 -0.351 -3.786
227 HD3 PRO 537 1HD PRO 537 13.018 1.288 -3.486
228 H ALA 538 H ALA 538 12.434 -2.114 -5.688
229 HA ALA 538 HA ALA 538 11.504 -3.345 -8.131
230 HB1 ALA 538 1HB ALA 538 12.102 -4.882 -5.638
231 HB2 ALA 538 2HB ALA 538 13.415 -4.132 -6.546
232 HB3 ALA 538 3HB ALA 538 12.376 -5.327 -7.322
233 H ALA 539 H ALA 539 10.299 -2.688 -4.931
234 HA ALA 539 HA ALA 539 8.176 -4.493 -4.778
235 HB1 ALA 539 1HB ALA 539 8.281 -3.503 -2.777
236 HB2 ALA 539 2HB ALA 539 7.223 -2.280 -3.482
237 HB3 ALA 539 3HB ALA 539 8.966 -2.022 -3.444
238 H GLU 540 H GLU 540 5.990 -4.333 -5.279
239 HA GLU 540 HA GLU 540 5.234 -2.206 -7.167
240 HB2 GLU 540 2HB GLU 540 4.544 -5.139 -7.424
241 HB3 GLU 540 1HB GLU 540 3.991 -3.857 -8.493
242 HG2 GLU 540 2HG GLU 540 6.624 -3.463 -8.683
243 HG3 GLU 540 1HG GLU 540 6.618 -5.189 -8.324
244 H GLY 541 H GLY 541 4.242 -4.564 -4.769
245 HA2 GLY 541 2HA GLY 541 1.681 -3.126 -4.475
246 HA3 GLY 541 1HA GLY 541 1.898 -4.830 -4.102
247 H ILE 542 H ILE 542 4.321 -2.485 -3.262
248 HA ILE 542 HA ILE 542 3.395 -2.403 -0.486
249 HB ILE 542 HB ILE 542 6.298 -2.866 -0.860
250 HG12 ILE 542 2HG1 ILE 542 5.769 -5.391 -0.671
251 HG13 ILE 542 1HG1 ILE 542 4.193 -4.952 -1.333
252 HG21 ILE 542 1HG2 ILE 542 4.759 -4.345 1.157
253 HG22 ILE 542 2HG2 ILE 542 4.669 -2.589 1.291
254 HG23 ILE 542 3HG2 ILE 542 6.236 -3.397 1.325
255 HD11 ILE 542 3HD1 ILE 542 5.196 -5.299 -3.306
256 HD12 ILE 542 1HD1 ILE 542 6.815 -5.101 -2.634
257 HD13 ILE 542 2HD1 ILE 542 5.856 -3.677 -3.056
258 H TYR 543 H TYR 543 4.659 -0.799 -3.154
259 HA TYR 543 HA TYR 543 5.568 1.381 -1.465
260 HB2 TYR 543 2HB TYR 543 7.492 1.549 -2.620
261 HB3 TYR 543 1HB TYR 543 7.185 -0.127 -3.008
262 HD1 TYR 543 2HD TYR 543 5.986 -0.644 -5.185
263 HD2 TYR 543 1HD TYR 543 7.687 3.156 -4.313
264 HE1 TYR 543 2HE TYR 543 5.984 -0.100 -7.576
265 HE2 TYR 543 1HE TYR 543 7.697 3.713 -6.700
266 HH TYR 543 HH TYR 543 7.081 1.367 -9.139
267 H ILE 544 H ILE 544 4.155 0.428 -4.554
268 HA ILE 544 HA ILE 544 3.072 1.622 -6.193
269 HB ILE 544 HB ILE 544 1.422 2.545 -3.858
270 HG12 ILE 544 2HG1 ILE 544 0.194 0.287 -4.486
271 HG13 ILE 544 1HG1 ILE 544 1.812 -0.185 -4.994
272 HG21 ILE 544 1HG2 ILE 544 -0.419 2.103 -5.540
273 HG22 ILE 544 2HG2 ILE 544 0.859 1.975 -6.750
274 HG23 ILE 544 3HG2 ILE 544 0.631 3.484 -5.864
275 HD11 ILE 544 3HD1 ILE 544 0.936 0.664 -2.249
276 HD12 ILE 544 1HD1 ILE 544 2.616 0.406 -2.713
277 HD13 ILE 544 2HD1 ILE 544 1.473 -0.934 -2.761
278 H GLU 545 H GLU 545 2.702 3.848 -3.472
279 HA GLU 545 HA GLU 545 3.162 6.052 -3.208
280 HB2 GLU 545 2HB GLU 545 4.955 5.780 -5.619
281 HB3 GLU 545 1HB GLU 545 5.023 7.027 -4.378
282 HG2 GLU 545 2HG GLU 545 5.405 5.098 -2.742
283 HG3 GLU 545 1HG GLU 545 5.765 4.136 -4.173
284 H GLY 546 H GLY 546 1.107 6.683 -3.661
285 HA2 GLY 546 2HA GLY 546 0.553 8.663 -5.379
286 HA3 GLY 546 1HA GLY 546 0.281 7.245 -6.382
287 H LEU 547 H LEU 547 -0.519 5.912 -3.671
288 HA LEU 547 HA LEU 547 -3.238 7.055 -3.525
289 HB2 LEU 547 2HB LEU 547 -4.242 4.987 -3.715
290 HB3 LEU 547 1HB LEU 547 -2.917 4.859 -4.854
291 HG LEU 547 HG LEU 547 -2.943 3.724 -2.054
292 HD11 LEU 547 1HD1 LEU 547 -2.750 2.062 -4.512
293 HD12 LEU 547 2HD1 LEU 547 -4.330 2.695 -4.051
294 HD13 LEU 547 3HD1 LEU 547 -3.429 1.674 -2.931
295 HD21 LEU 547 3HD2 LEU 547 -0.856 3.725 -4.222
296 HD22 LEU 547 1HD2 LEU 547 -0.851 2.580 -2.880
297 HD23 LEU 547 2HD2 LEU 547 -0.710 4.311 -2.564
298 H MET 548 H MET 548 -0.492 6.353 -1.867
299 HA MET 548 HA MET 548 -1.691 5.392 0.562
300 HB2 MET 548 2HB MET 548 0.852 6.300 1.258
301 HB3 MET 548 1HB MET 548 0.379 4.650 0.911
302 HG2 MET 548 2HG MET 548 2.175 4.866 -0.452
303 HG3 MET 548 1HG MET 548 0.910 5.343 -1.568
304 HE1 MET 548 3HE MET 548 0.067 8.042 -0.991
305 HE2 MET 548 1HE MET 548 0.802 8.025 -2.588
306 HE3 MET 548 2HE MET 548 1.248 9.271 -1.425
307 H HIS 549 H HIS 549 -3.229 7.085 0.880
308 HA HIS 549 HA HIS 549 -2.044 9.405 2.242
309 HB2 HIS 549 2HB HIS 549 -4.613 9.782 0.767
310 HB3 HIS 549 1HB HIS 549 -3.363 10.957 1.156
311 HD1 HIS 549 1HD HIS 549 -4.781 9.854 -1.707
312 HD2 HIS 549 2HD HIS 549 -0.840 9.710 -0.405
313 HE1 HIS 549 1HE HIS 549 -3.393 9.629 -3.794
314 HE2 HIS 549 2HE HIS 549 -1.018 9.448 -2.972
315 H ASN 550 H ASN 550 -5.306 8.166 1.582
316 HA ASN 550 HA ASN 550 -5.947 6.991 3.954
317 HB2 ASN 550 2HB ASN 550 -5.808 9.910 4.231
318 HB3 ASN 550 1HB ASN 550 -7.341 9.224 4.760
319 HD21 ASN 550 1HD2 ASN 550 -5.575 10.478 6.487
320 HD22 ASN 550 2HD2 ASN 550 -4.949 9.308 7.594
321 H GLN 551 H GLN 551 -6.857 6.170 1.820
322 HA GLN 551 HA GLN 551 -9.297 7.479 0.967
323 HB2 GLN 551 2HB GLN 551 -8.677 4.817 -0.133
324 HB3 GLN 551 1HB GLN 551 -9.145 6.295 -0.956
325 HG2 GLN 551 2HG GLN 551 -7.055 6.411 -1.681
326 HG3 GLN 551 1HG GLN 551 -6.595 6.840 -0.037
327 HE21 GLN 551 1HE2 GLN 551 -7.001 4.407 1.233
328 HE22 GLN 551 2HE2 GLN 551 -5.854 3.264 0.637
329 H ASP 552 H ASP 552 -8.690 4.067 1.573
330 HA ASP 552 HA ASP 552 -9.899 2.444 2.596
331 HB2 ASP 552 2HB ASP 552 -9.722 4.535 4.413
332 HB3 ASP 552 1HB ASP 552 -11.442 4.155 4.392
333 H GLY 553 H GLY 553 -11.044 4.156 0.374
334 HA2 GLY 553 2HA GLY 553 -13.867 3.370 0.758
335 HA3 GLY 553 1HA GLY 553 -13.400 4.836 -0.096
336 H LEU 554 H LEU 554 -11.194 3.746 -1.496
337 HA LEU 554 HA LEU 554 -12.603 2.436 -3.651
338 HB2 LEU 554 2HB LEU 554 -10.493 2.689 -4.869
339 HB3 LEU 554 1HB LEU 554 -11.035 4.202 -4.170
340 HG LEU 554 HG LEU 554 -9.362 3.246 -2.207
341 HD11 LEU 554 1HD1 LEU 554 -7.869 2.753 -4.754
342 HD12 LEU 554 2HD1 LEU 554 -8.766 1.452 -3.974
343 HD13 LEU 554 3HD1 LEU 554 -7.466 2.269 -3.106
344 HD21 LEU 554 3HD2 LEU 554 -8.068 4.837 -4.325
345 HD22 LEU 554 1HD2 LEU 554 -8.250 5.165 -2.602
346 HD23 LEU 554 2HD2 LEU 554 -9.588 5.481 -3.704
347 H ILE 555 H ILE 555 -11.232 1.343 -0.889
348 HA ILE 555 HA ILE 555 -10.752 -1.304 -2.028
349 HB ILE 555 HB ILE 555 -8.785 -1.615 -0.561
350 HG12 ILE 555 2HG1 ILE 555 -9.321 0.179 1.070
351 HG13 ILE 555 1HG1 ILE 555 -7.684 0.289 0.455
352 HG21 ILE 555 1HG2 ILE 555 -7.743 0.611 -2.043
353 HG22 ILE 555 2HG2 ILE 555 -8.926 -0.275 -3.006
354 HG23 ILE 555 3HG2 ILE 555 -7.537 -1.120 -2.320
355 HD11 ILE 555 3HD1 ILE 555 -9.061 1.878 -1.273
356 HD12 ILE 555 1HD1 ILE 555 -8.126 2.428 0.116
357 HD13 ILE 555 2HD1 ILE 555 -9.867 2.181 0.265
358 H CYS 556 H CYS 556 -11.195 0.701 0.838
359 HA CYS 556 HA CYS 556 -12.224 -1.623 2.280
360 HB2 CYS 556 2HB CYS 556 -10.457 0.356 3.064
361 HB3 CYS 556 1HB CYS 556 -11.975 0.862 3.802
362 H GLY 557 H GLY 557 -14.271 -1.649 3.169
363 HA2 GLY 557 2HA GLY 557 -16.017 0.537 3.350
364 HA3 GLY 557 1HA GLY 557 -16.294 -0.257 1.806
365 H LEU 558 H LEU 558 -16.649 -2.662 1.934
366 HA LEU 558 HA LEU 558 -17.811 -3.542 4.455
367 HB2 LEU 558 2HB LEU 558 -19.889 -4.249 3.361
368 HB3 LEU 558 1HB LEU 558 -19.666 -2.512 3.328
369 HG LEU 558 HG LEU 558 -18.866 -4.149 0.954
370 HD11 LEU 558 1HD1 LEU 558 -20.986 -4.326 0.117
371 HD12 LEU 558 2HD1 LEU 558 -21.605 -3.002 1.104
372 HD13 LEU 558 3HD1 LEU 558 -21.300 -4.579 1.834
373 HD21 LEU 558 3HD2 LEU 558 -18.681 -2.171 -0.075
374 HD22 LEU 558 1HD2 LEU 558 -18.674 -1.487 1.550
375 HD23 LEU 558 2HD2 LEU 558 -20.177 -1.558 0.630
376 H ARG 559 H ARG 559 -16.959 -4.348 1.113
377 HA ARG 559 HA ARG 559 -15.486 -6.610 1.728
378 HB2 ARG 559 2HB ARG 559 -17.106 -8.376 0.870
379 HB3 ARG 559 1HB ARG 559 -17.435 -7.744 2.481
380 HG2 ARG 559 2HG ARG 559 -19.516 -7.453 1.724
381 HG3 ARG 559 1HG ARG 559 -18.845 -6.027 0.925
382 HD2 ARG 559 2HD ARG 559 -19.471 -6.891 -1.015
383 HD3 ARG 559 1HD ARG 559 -18.279 -8.169 -0.777
384 HE ARG 559 HE ARG 559 -20.664 -8.796 0.600
385 HH11 ARG 559 1HH1 ARG 559 -19.350 -8.627 -2.629
386 HH12 ARG 559 2HH1 ARG 559 -20.413 -9.840 -3.259
387 HH21 ARG 559 1HH2 ARG 559 -22.062 -10.392 -0.228
388 HH22 ARG 559 2HH2 ARG 559 -21.952 -10.842 -1.896
389 H GLN 560 H GLN 560 -15.587 -4.396 -0.037
390 HA GLN 560 HA GLN 560 -16.080 -5.308 -2.702
391 HB2 GLN 560 2HB GLN 560 -15.237 -3.177 -3.422
392 HB3 GLN 560 1HB GLN 560 -16.236 -2.916 -2.000
393 HG2 GLN 560 2HG GLN 560 -13.287 -3.232 -1.681
394 HG3 GLN 560 1HG GLN 560 -13.948 -1.702 -2.254
395 HE21 GLN 560 1HE2 GLN 560 -13.623 -3.862 0.420
396 HE22 GLN 560 2HE2 GLN 560 -14.283 -2.814 1.623
Start of MODEL 5
1 H1 ALA 507 1HT ALA 507 -9.430 -7.612 -6.904
2 H2 ALA 507 2HT ALA 507 -8.930 -8.591 -8.223
3 H3 ALA 507 3HT ALA 507 -9.608 -9.315 -6.822
4 HA ALA 507 HA ALA 507 -10.887 -7.803 -8.959
5 HB1 ALA 507 1HB ALA 507 -12.122 -10.107 -7.572
6 HB2 ALA 507 2HB ALA 507 -10.686 -10.430 -8.542
7 HB3 ALA 507 3HB ALA 507 -12.103 -9.689 -9.285
8 H GLN 508 H GLN 508 -11.723 -9.095 -5.737
9 HA GLN 508 HA GLN 508 -12.917 -6.581 -4.972
10 HB2 GLN 508 2HB GLN 508 -15.136 -7.683 -4.461
11 HB3 GLN 508 1HB GLN 508 -14.794 -7.407 -6.164
12 HG2 GLN 508 2HG GLN 508 -15.308 -9.535 -6.498
13 HG3 GLN 508 1HG GLN 508 -13.795 -9.940 -5.688
14 HE21 GLN 508 1HE2 GLN 508 -17.088 -8.949 -4.798
15 HE22 GLN 508 2HE2 GLN 508 -17.282 -10.114 -3.538
16 HA PRO 509 HA PRO 509 -11.428 -9.428 -1.535
17 HB2 PRO 509 2HB PRO 509 -9.019 -8.392 -1.008
18 HB3 PRO 509 1HB PRO 509 -9.248 -9.559 -2.318
19 HG2 PRO 509 2HG PRO 509 -9.010 -6.578 -2.458
20 HG3 PRO 509 1HG PRO 509 -8.278 -7.809 -3.504
21 HD2 PRO 509 2HD PRO 509 -10.553 -6.401 -4.137
22 HD3 PRO 509 1HD PRO 509 -10.158 -8.003 -4.790
23 H LYS 510 H LYS 510 -11.087 -8.838 0.716
24 HA LYS 510 HA LYS 510 -12.421 -6.363 1.385
25 HB2 LYS 510 2HB LYS 510 -11.294 -8.513 3.188
26 HB3 LYS 510 1HB LYS 510 -12.341 -7.193 3.691
27 HG2 LYS 510 2HG LYS 510 -14.144 -8.373 3.191
28 HG3 LYS 510 1HG LYS 510 -13.576 -8.613 1.538
29 HD2 LYS 510 2HD LYS 510 -12.191 -10.266 3.515
30 HD3 LYS 510 1HD LYS 510 -13.921 -10.590 3.403
31 HE2 LYS 510 2HE LYS 510 -13.581 -10.708 0.887
32 HE3 LYS 510 1HE LYS 510 -11.851 -10.744 1.228
33 HZ1 LYS 510 3HZ LYS 510 -13.466 -12.908 1.103
34 HZ2 LYS 510 1HZ LYS 510 -13.365 -12.641 2.772
35 HZ3 LYS 510 2HZ LYS 510 -11.955 -12.865 1.864
36 H CYS 511 H CYS 511 -11.214 -4.567 1.259
37 HA CYS 511 HA CYS 511 -9.589 -3.037 1.701
38 HB2 CYS 511 2HB CYS 511 -8.467 -4.852 3.822
39 HB3 CYS 511 1HB CYS 511 -8.503 -3.093 3.784
40 H ASN 512 H ASN 512 -7.916 -2.696 0.396
41 HA ASN 512 HA ASN 512 -6.162 -4.952 -0.230
42 HB2 ASN 512 2HB ASN 512 -6.473 -2.426 -1.846
43 HB3 ASN 512 1HB ASN 512 -5.627 -3.892 -2.315
44 HD21 ASN 512 1HD2 ASN 512 -8.834 -2.791 -1.275
45 HD22 ASN 512 2HD2 ASN 512 -9.717 -3.835 -2.326
46 HA PRO 513 HA PRO 513 -3.049 -1.624 0.921
47 HB2 PRO 513 2HB PRO 513 -3.809 0.991 0.796
48 HB3 PRO 513 1HB PRO 513 -3.385 0.035 -0.624
49 HG2 PRO 513 2HG PRO 513 -5.963 1.106 0.081
50 HG3 PRO 513 1HG PRO 513 -5.518 0.178 -1.360
51 HD2 PRO 513 2HD PRO 513 -6.740 -0.755 1.180
52 HD3 PRO 513 1HD PRO 513 -6.887 -1.416 -0.459
53 H ASN 514 H ASN 514 -5.834 -1.864 2.682
54 HA ASN 514 HA ASN 514 -4.744 -0.289 4.918
55 HB2 ASN 514 2HB ASN 514 -7.536 -0.765 3.971
56 HB3 ASN 514 1HB ASN 514 -7.269 -0.608 5.704
57 HD21 ASN 514 1HD2 ASN 514 -7.409 1.015 2.675
58 HD22 ASN 514 2HD2 ASN 514 -7.165 2.614 3.276
59 H LEU 515 H LEU 515 -3.511 -2.522 4.751
60 HA LEU 515 HA LEU 515 -4.863 -4.374 6.597
61 HB2 LEU 515 2HB LEU 515 -2.716 -5.667 5.205
62 HB3 LEU 515 1HB LEU 515 -4.407 -6.104 5.286
63 HG LEU 515 HG LEU 515 -3.757 -5.947 3.000
64 HD11 LEU 515 1HD1 LEU 515 -5.774 -5.165 2.598
65 HD12 LEU 515 2HD1 LEU 515 -5.143 -3.527 2.714
66 HD13 LEU 515 3HD1 LEU 515 -5.794 -4.320 4.145
67 HD21 LEU 515 3HD2 LEU 515 -2.070 -4.619 2.442
68 HD22 LEU 515 1HD2 LEU 515 -2.242 -3.674 3.919
69 HD23 LEU 515 2HD2 LEU 515 -3.203 -3.267 2.501
70 H HIS 516 H HIS 516 -1.801 -2.902 5.659
71 HA HIS 516 HA HIS 516 -0.840 -2.923 8.359
72 HB2 HIS 516 2HB HIS 516 1.303 -4.206 7.434
73 HB3 HIS 516 1HB HIS 516 -0.046 -5.071 8.161
74 HD1 HIS 516 1HD HIS 516 0.557 -7.193 6.721
75 HD2 HIS 516 2HD HIS 516 -0.477 -3.830 4.513
76 HE1 HIS 516 1HE HIS 516 0.158 -8.010 4.372
77 HE2 HIS 516 2HE HIS 516 -0.549 -5.978 3.081
78 H TYR 517 H TYR 517 1.170 -3.189 5.469
79 HA TYR 517 HA TYR 517 2.656 -0.925 5.984
80 HB2 TYR 517 2HB TYR 517 2.115 -1.683 3.141
81 HB3 TYR 517 1HB TYR 517 3.631 -1.203 3.894
82 HD1 TYR 517 2HD TYR 517 4.975 -2.852 5.138
83 HD2 TYR 517 1HD TYR 517 1.384 -3.966 3.161
84 HE1 TYR 517 2HE TYR 517 5.613 -5.222 5.318
85 HE2 TYR 517 1HE TYR 517 1.998 -6.328 3.330
86 HH TYR 517 HH TYR 517 3.938 -7.710 3.631
87 H TRP 518 H TRP 518 1.969 0.214 3.108
88 HA TRP 518 HA TRP 518 0.994 2.307 2.710
89 HB2 TRP 518 2HB TRP 518 -1.671 1.174 2.805
90 HB3 TRP 518 1HB TRP 518 -0.739 1.694 1.426
91 HD1 TRP 518 HD TRP 518 -0.130 -1.372 3.711
92 HE1 TRP 518 1HE TRP 518 -0.020 -3.416 2.219
93 HE3 TRP 518 3HE TRP 518 -1.237 0.810 -0.772
94 HZ2 TRP 518 2HZ TRP 518 -0.398 -4.091 -0.499
95 HZ3 TRP 518 3HZ TRP 518 -1.360 -0.614 -2.772
96 HH2 TRP 518 HH TRP 518 -0.950 -3.016 -2.638
97 H THR 519 H THR 519 -1.243 0.717 4.959
98 HA THR 519 HA THR 519 -2.252 3.182 5.952
99 HB THR 519 HB THR 519 -3.620 1.169 5.989
100 HG1 THR 519 1HG THR 519 -3.901 2.785 7.647
101 HG21 THR 519 3HG2 THR 519 -1.873 -0.495 6.413
102 HG22 THR 519 1HG2 THR 519 -3.231 -0.646 7.528
103 HG23 THR 519 2HG2 THR 519 -1.726 0.101 8.067
104 H THR 520 H THR 520 0.417 1.163 6.797
105 HA THR 520 HA THR 520 0.718 2.281 9.440
106 HB THR 520 HB THR 520 1.725 0.027 8.122
107 HG1 THR 520 1HG THR 520 2.502 1.046 10.641
108 HG21 THR 520 3HG2 THR 520 3.710 0.932 7.305
109 HG22 THR 520 1HG2 THR 520 4.156 0.173 8.832
110 HG23 THR 520 2HG2 THR 520 3.959 1.923 8.743
111 H GLN 521 H GLN 521 2.839 2.419 6.569
112 HA GLN 521 HA GLN 521 3.841 4.986 7.551
113 HB2 GLN 521 2HB GLN 521 5.777 4.637 6.197
114 HB3 GLN 521 1HB GLN 521 5.454 3.134 7.046
115 HG2 GLN 521 2HG GLN 521 4.699 2.063 5.118
116 HG3 GLN 521 1HG GLN 521 4.463 3.581 4.262
117 HE21 GLN 521 1HE2 GLN 521 6.439 4.849 3.783
118 HE22 GLN 521 2HE2 GLN 521 7.880 3.979 3.394
119 H ASP 522 H ASP 522 4.851 5.715 4.903
120 HA ASP 522 HA ASP 522 2.352 6.771 3.791
121 HB2 ASP 522 2HB ASP 522 5.174 7.724 3.843
122 HB3 ASP 522 1HB ASP 522 4.103 8.273 2.560
123 H GLU 523 H GLU 523 3.297 4.101 3.240
124 HA GLU 523 HA GLU 523 3.761 2.663 1.518
125 HB2 GLU 523 2HB GLU 523 1.708 4.494 0.750
126 HB3 GLU 523 1HB GLU 523 2.669 4.110 -0.670
127 HG2 GLU 523 2HG GLU 523 2.295 1.768 -0.347
128 HG3 GLU 523 1HG GLU 523 1.453 2.074 1.167
129 H GLY 524 H GLY 524 6.041 3.388 1.845
130 HA2 GLY 524 2HA GLY 524 8.026 3.549 0.587
131 HA3 GLY 524 1HA GLY 524 7.109 4.304 -0.711
132 H ALA 525 H ALA 525 5.762 6.073 1.292
133 HA ALA 525 HA ALA 525 5.998 8.216 1.965
134 HB1 ALA 525 1HB ALA 525 7.642 6.656 3.503
135 HB2 ALA 525 2HB ALA 525 7.164 8.317 3.856
136 HB3 ALA 525 3HB ALA 525 8.683 7.994 3.019
137 H ALA 526 H ALA 526 7.479 7.289 -0.649
138 HA ALA 526 HA ALA 526 8.853 8.199 -2.212
139 HB1 ALA 526 1HB ALA 526 6.800 9.845 -1.816
140 HB2 ALA 526 2HB ALA 526 8.083 10.198 -2.972
141 HB3 ALA 526 3HB ALA 526 8.110 10.939 -1.372
142 H ILE 527 H ILE 527 9.783 8.058 0.719
143 HA ILE 527 HA ILE 527 11.552 10.136 1.258
144 HB ILE 527 HB ILE 527 12.863 8.178 2.447
145 HG12 ILE 527 2HG1 ILE 527 11.520 6.280 3.022
146 HG13 ILE 527 1HG1 ILE 527 10.120 6.951 2.197
147 HG21 ILE 527 1HG2 ILE 527 10.397 9.633 3.143
148 HG22 ILE 527 2HG2 ILE 527 11.979 9.642 3.921
149 HG23 ILE 527 3HG2 ILE 527 10.865 8.305 4.205
150 HD11 ILE 527 3HD1 ILE 527 10.917 6.397 0.119
151 HD12 ILE 527 1HD1 ILE 527 11.529 5.064 1.099
152 HD13 ILE 527 2HD1 ILE 527 12.600 6.392 0.648
153 H GLY 528 H GLY 528 11.758 7.646 -1.104
154 HA2 GLY 528 2HA GLY 528 13.793 8.664 -2.575
155 HA3 GLY 528 1HA GLY 528 14.635 7.733 -1.347
156 H LEU 529 H LEU 529 12.989 5.551 -1.085
157 HA LEU 529 HA LEU 529 12.434 3.537 -1.981
158 HB2 LEU 529 2HB LEU 529 12.281 5.168 -4.496
159 HB3 LEU 529 1HB LEU 529 11.987 3.443 -4.484
160 HG LEU 529 HG LEU 529 10.036 3.679 -3.160
161 HD11 LEU 529 1HD1 LEU 529 9.339 5.990 -2.367
162 HD12 LEU 529 2HD1 LEU 529 11.008 6.476 -2.666
163 HD13 LEU 529 3HD1 LEU 529 10.655 5.209 -1.489
164 HD21 LEU 529 3HD2 LEU 529 10.373 5.292 -5.552
165 HD22 LEU 529 1HD2 LEU 529 9.069 5.876 -4.519
166 HD23 LEU 529 2HD2 LEU 529 9.060 4.209 -5.093
167 H ALA 530 H ALA 530 15.000 5.289 -3.599
168 HA ALA 530 HA ALA 530 16.180 2.905 -4.635
169 HB1 ALA 530 1HB ALA 530 16.393 5.115 -5.747
170 HB2 ALA 530 2HB ALA 530 17.938 4.308 -5.475
171 HB3 ALA 530 3HB ALA 530 17.438 5.633 -4.424
172 H TRP 531 H TRP 531 16.407 4.646 -1.688
173 HA TRP 531 HA TRP 531 18.917 4.166 -0.741
174 HB2 TRP 531 2HB TRP 531 17.825 4.019 1.545
175 HB3 TRP 531 1HB TRP 531 17.412 5.440 0.596
176 HD1 TRP 531 HD TRP 531 15.016 4.913 -0.961
177 HE1 TRP 531 1HE TRP 531 12.817 4.057 -0.010
178 HE3 TRP 531 3HE TRP 531 16.763 2.840 3.367
179 HZ2 TRP 531 2HZ TRP 531 11.897 2.685 2.287
180 HZ3 TRP 531 3HZ TRP 531 15.152 1.777 4.895
181 HH2 TRP 531 HH TRP 531 12.768 1.703 4.365
182 H ILE 532 H ILE 532 16.382 1.861 -1.293
183 HA ILE 532 HA ILE 532 18.043 -0.248 -0.106
184 HB ILE 532 HB ILE 532 16.010 -1.537 0.126
185 HG12 ILE 532 2HG1 ILE 532 14.957 0.109 -1.793
186 HG13 ILE 532 1HG1 ILE 532 14.045 -1.032 -0.817
187 HG21 ILE 532 1HG2 ILE 532 16.168 1.156 1.377
188 HG22 ILE 532 2HG2 ILE 532 16.517 -0.428 2.081
189 HG23 ILE 532 3HG2 ILE 532 14.847 0.059 1.787
190 HD11 ILE 532 3HD1 ILE 532 12.945 1.097 -0.824
191 HD12 ILE 532 1HD1 ILE 532 14.417 1.896 -0.275
192 HD13 ILE 532 2HD1 ILE 532 13.576 0.770 0.791
193 HA PRO 533 HA PRO 533 18.037 -2.182 -4.097
194 HB2 PRO 533 2HB PRO 533 18.678 -4.686 -3.441
195 HB3 PRO 533 1HB PRO 533 19.767 -3.339 -3.091
196 HG2 PRO 533 2HG PRO 533 18.069 -4.917 -1.251
197 HG3 PRO 533 1HG PRO 533 19.581 -4.056 -0.928
198 HD2 PRO 533 2HD PRO 533 16.905 -3.167 -0.423
199 HD3 PRO 533 1HD PRO 533 18.417 -2.285 -0.137
200 H TYR 534 H TYR 534 15.476 -2.998 -1.970
201 HA TYR 534 HA TYR 534 13.970 -4.071 -4.177
202 HB2 TYR 534 2HB TYR 534 13.375 -6.198 -3.035
203 HB3 TYR 534 1HB TYR 534 15.062 -6.101 -3.529
204 HD1 TYR 534 2HD TYR 534 12.838 -5.628 -0.580
205 HD2 TYR 534 1HD TYR 534 16.757 -6.510 -1.981
206 HE1 TYR 534 2HE TYR 534 13.531 -6.167 1.716
207 HE2 TYR 534 1HE TYR 534 17.461 -7.053 0.312
208 HH TYR 534 HH TYR 534 16.819 -6.620 2.586
209 H PHE 535 H PHE 535 14.043 -3.079 -0.802
210 HA PHE 535 HA PHE 535 11.331 -3.430 -0.198
211 HB2 PHE 535 2HB PHE 535 13.006 -1.117 0.791
212 HB3 PHE 535 1HB PHE 535 11.583 -1.796 1.555
213 HD1 PHE 535 2HD PHE 535 15.065 -2.631 0.602
214 HD2 PHE 535 1HD PHE 535 11.806 -3.397 3.210
215 HE1 PHE 535 2HE PHE 535 16.526 -4.011 1.991
216 HE2 PHE 535 1HE PHE 535 13.265 -4.788 4.621
217 HZ PHE 535 HZ PHE 535 15.633 -5.092 4.010
218 H GLY 536 H GLY 536 12.940 -1.074 -2.160
219 HA2 GLY 536 2HA GLY 536 10.406 0.410 -2.437
220 HA3 GLY 536 1HA GLY 536 11.997 1.126 -2.644
221 HA PRO 537 HA PRO 537 12.133 0.146 -6.939
222 HB2 PRO 537 2HB PRO 537 14.300 -1.841 -6.780
223 HB3 PRO 537 1HB PRO 537 14.293 -0.249 -7.544
224 HG2 PRO 537 2HG PRO 537 15.678 -0.714 -5.294
225 HG3 PRO 537 1HG PRO 537 14.876 0.842 -5.585
226 HD2 PRO 537 2HD PRO 537 13.976 -1.469 -3.896
227 HD3 PRO 537 1HD PRO 537 13.939 0.269 -3.533
228 H ALA 538 H ALA 538 12.288 -2.751 -4.943
229 HA ALA 538 HA ALA 538 11.113 -4.369 -7.070
230 HB1 ALA 538 1HB ALA 538 11.732 -5.362 -4.311
231 HB2 ALA 538 2HB ALA 538 13.007 -5.138 -5.508
232 HB3 ALA 538 3HB ALA 538 11.683 -6.256 -5.830
233 H ALA 539 H ALA 539 10.234 -2.753 -4.131
234 HA ALA 539 HA ALA 539 7.888 -4.181 -3.502
235 HB1 ALA 539 1HB ALA 539 7.266 -1.937 -2.378
236 HB2 ALA 539 2HB ALA 539 8.895 -1.444 -2.843
237 HB3 ALA 539 3HB ALA 539 8.663 -2.836 -1.785
238 H GLU 540 H GLU 540 5.894 -4.141 -4.314
239 HA GLU 540 HA GLU 540 5.176 -1.999 -6.200
240 HB2 GLU 540 2HB GLU 540 4.330 -4.872 -6.553
241 HB3 GLU 540 1HB GLU 540 4.172 -3.549 -7.701
242 HG2 GLU 540 2HG GLU 540 6.877 -3.646 -7.227
243 HG3 GLU 540 1HG GLU 540 6.401 -5.344 -7.216
244 H GLY 541 H GLY 541 4.251 -4.138 -3.644
245 HA2 GLY 541 2HA GLY 541 1.564 -2.911 -3.599
246 HA3 GLY 541 1HA GLY 541 1.890 -4.549 -3.048
247 H ILE 542 H ILE 542 3.929 -1.766 -2.438
248 HA ILE 542 HA ILE 542 2.987 -1.551 0.311
249 HB ILE 542 HB ILE 542 5.936 -1.807 -0.048
250 HG12 ILE 542 2HG1 ILE 542 5.598 -4.280 0.624
251 HG13 ILE 542 1HG1 ILE 542 3.973 -4.083 -0.031
252 HG21 ILE 542 1HG2 ILE 542 5.944 -1.754 2.176
253 HG22 ILE 542 2HG2 ILE 542 4.730 -3.027 2.281
254 HG23 ILE 542 3HG2 ILE 542 4.231 -1.348 2.086
255 HD11 ILE 542 3HD1 ILE 542 5.526 -3.043 -2.026
256 HD12 ILE 542 1HD1 ILE 542 4.900 -4.695 -1.967
257 HD13 ILE 542 2HD1 ILE 542 6.534 -4.353 -1.403
258 H TYR 543 H TYR 543 4.864 -0.369 -2.382
259 HA TYR 543 HA TYR 543 5.302 2.156 -1.029
260 HB2 TYR 543 2HB TYR 543 7.207 2.320 -2.231
261 HB3 TYR 543 1HB TYR 543 7.015 0.588 -2.397
262 HD1 TYR 543 1HD TYR 543 5.798 -0.270 -4.478
263 HD2 TYR 543 2HD TYR 543 7.320 3.684 -4.116
264 HE1 TYR 543 1HE TYR 543 5.754 -0.034 -6.922
265 HE2 TYR 543 2HE TYR 543 7.281 3.934 -6.556
266 HH TYR 543 HH TYR 543 7.343 2.431 -8.566
267 H ILE 544 H ILE 544 4.002 0.764 -4.005
268 HA ILE 544 HA ILE 544 2.837 1.690 -5.763
269 HB ILE 544 HB ILE 544 1.106 2.687 -3.512
270 HG12 ILE 544 2HG1 ILE 544 0.012 0.465 -3.609
271 HG13 ILE 544 1HG1 ILE 544 1.284 -0.091 -4.692
272 HG21 ILE 544 1HG2 ILE 544 0.791 2.331 -6.401
273 HG22 ILE 544 2HG2 ILE 544 -0.077 3.383 -5.284
274 HG23 ILE 544 3HG2 ILE 544 -0.534 1.687 -5.432
275 HD11 ILE 544 3HD1 ILE 544 1.290 -0.446 -2.027
276 HD12 ILE 544 1HD1 ILE 544 2.204 1.055 -2.155
277 HD13 ILE 544 2HD1 ILE 544 2.744 -0.380 -3.021
278 H GLU 545 H GLU 545 2.254 4.124 -3.275
279 HA GLU 545 HA GLU 545 2.576 6.369 -3.203
280 HB2 GLU 545 2HB GLU 545 4.205 6.148 -5.719
281 HB3 GLU 545 1HB GLU 545 4.323 7.359 -4.446
282 HG2 GLU 545 2HG GLU 545 4.994 5.476 -2.904
283 HG3 GLU 545 1HG GLU 545 5.156 4.476 -4.344
284 H GLY 546 H GLY 546 0.373 5.162 -4.546
285 HA2 GLY 546 2HA GLY 546 -0.372 7.426 -6.263
286 HA3 GLY 546 1HA GLY 546 -0.625 5.791 -6.851
287 H LEU 547 H LEU 547 -1.140 5.517 -3.629
288 HA LEU 547 HA LEU 547 -3.907 6.496 -3.704
289 HB2 LEU 547 2HB LEU 547 -4.876 4.422 -3.149
290 HB3 LEU 547 1HB LEU 547 -3.841 4.148 -4.536
291 HG LEU 547 HG LEU 547 -2.886 3.579 -1.746
292 HD11 LEU 547 1HD1 LEU 547 -4.530 1.818 -3.545
293 HD12 LEU 547 2HD1 LEU 547 -4.866 2.290 -1.880
294 HD13 LEU 547 3HD1 LEU 547 -3.528 1.196 -2.234
295 HD21 LEU 547 3HD2 LEU 547 -1.563 1.862 -3.114
296 HD22 LEU 547 1HD2 LEU 547 -1.102 3.559 -3.251
297 HD23 LEU 547 2HD2 LEU 547 -2.061 2.799 -4.522
298 H MET 548 H MET 548 -1.105 6.178 -1.986
299 HA MET 548 HA MET 548 -2.188 5.772 0.621
300 HB2 MET 548 2HB MET 548 0.197 6.823 1.216
301 HB3 MET 548 1HB MET 548 -0.015 5.149 0.745
302 HG2 MET 548 2HG MET 548 1.870 6.061 -0.407
303 HG3 MET 548 1HG MET 548 0.589 5.763 -1.577
304 HE1 MET 548 3HE MET 548 -0.599 8.537 -2.978
305 HE2 MET 548 1HE MET 548 0.151 6.955 -3.173
306 HE3 MET 548 2HE MET 548 1.037 8.411 -3.623
307 H HIS 549 H HIS 549 -3.874 7.418 0.391
308 HA HIS 549 HA HIS 549 -2.887 9.997 1.390
309 HB2 HIS 549 2HB HIS 549 -5.366 10.257 -0.132
310 HB3 HIS 549 1HB HIS 549 -3.903 11.228 -0.196
311 HD1 HIS 549 1HD HIS 549 -5.870 9.614 -2.454
312 HD2 HIS 549 2HD HIS 549 -1.822 9.252 -1.592
313 HE1 HIS 549 1HE HIS 549 -4.831 8.625 -4.517
314 HE2 HIS 549 2HE HIS 549 -2.366 8.501 -4.007
315 H ASN 550 H ASN 550 -3.974 7.580 2.675
316 HA ASN 550 HA ASN 550 -5.400 7.014 4.351
317 HB2 ASN 550 2HB ASN 550 -4.872 9.793 4.652
318 HB3 ASN 550 1HB ASN 550 -6.576 9.536 5.013
319 HD21 ASN 550 1HD2 ASN 550 -7.110 8.764 6.943
320 HD22 ASN 550 2HD2 ASN 550 -6.003 8.132 8.109
321 H GLN 551 H GLN 551 -6.989 5.849 3.424
322 HA GLN 551 HA GLN 551 -9.421 7.295 2.665
323 HB2 GLN 551 2HB GLN 551 -9.186 4.880 1.113
324 HB3 GLN 551 1HB GLN 551 -9.447 6.527 0.568
325 HG2 GLN 551 2HG GLN 551 -7.459 6.416 -0.398
326 HG3 GLN 551 1HG GLN 551 -6.744 6.440 1.210
327 HE21 GLN 551 1HE2 GLN 551 -6.638 4.259 2.283
328 HE22 GLN 551 2HE2 GLN 551 -6.170 2.922 1.298
329 H ASP 552 H ASP 552 -8.555 3.892 2.670
330 HA ASP 552 HA ASP 552 -9.424 2.077 3.725
331 HB2 ASP 552 2HB ASP 552 -8.609 3.432 5.717
332 HB3 ASP 552 1HB ASP 552 -10.277 3.957 5.927
333 H GLY 553 H GLY 553 -11.173 4.007 2.113
334 HA2 GLY 553 2HA GLY 553 -13.753 2.867 2.992
335 HA3 GLY 553 1HA GLY 553 -13.620 4.512 2.382
336 H LEU 554 H LEU 554 -11.706 3.875 0.347
337 HA LEU 554 HA LEU 554 -13.520 2.854 -1.679
338 HB2 LEU 554 2HB LEU 554 -11.732 3.578 -3.234
339 HB3 LEU 554 1HB LEU 554 -12.329 4.863 -2.203
340 HG LEU 554 HG LEU 554 -10.176 3.892 -0.770
341 HD11 LEU 554 1HD1 LEU 554 -9.744 2.635 -3.037
342 HD12 LEU 554 2HD1 LEU 554 -8.421 3.354 -2.118
343 HD13 LEU 554 3HD1 LEU 554 -9.086 4.199 -3.516
344 HD21 LEU 554 3HD2 LEU 554 -10.863 6.248 -1.198
345 HD22 LEU 554 1HD2 LEU 554 -10.096 6.133 -2.782
346 HD23 LEU 554 2HD2 LEU 554 -9.126 5.969 -1.318
347 H ILE 555 H ILE 555 -11.618 1.364 0.431
348 HA ILE 555 HA ILE 555 -11.054 -0.858 -1.371
349 HB ILE 555 HB ILE 555 -8.810 -1.161 -0.318
350 HG12 ILE 555 2HG1 ILE 555 -9.177 0.247 1.676
351 HG13 ILE 555 1HG1 ILE 555 -7.746 0.728 0.790
352 HG21 ILE 555 1HG2 ILE 555 -7.845 -0.099 -2.029
353 HG22 ILE 555 2HG2 ILE 555 -8.538 1.463 -1.581
354 HG23 ILE 555 3HG2 ILE 555 -9.502 0.298 -2.491
355 HD11 ILE 555 3HD1 ILE 555 -10.167 2.222 1.363
356 HD12 ILE 555 1HD1 ILE 555 -9.627 2.334 -0.310
357 HD13 ILE 555 2HD1 ILE 555 -8.537 2.783 0.999
358 H CYS 556 H CYS 556 -11.057 0.374 1.945
359 HA CYS 556 HA CYS 556 -11.587 -2.341 2.897
360 HB2 CYS 556 2HB CYS 556 -9.618 -0.897 3.770
361 HB3 CYS 556 1HB CYS 556 -10.855 -0.025 4.666
362 H GLY 557 H GLY 557 -13.743 -2.631 2.818
363 HA2 GLY 557 2HA GLY 557 -15.364 -0.951 4.570
364 HA3 GLY 557 1HA GLY 557 -15.858 -1.044 2.887
365 H LEU 558 H LEU 558 -15.943 -3.421 2.065
366 HA LEU 558 HA LEU 558 -16.961 -5.202 4.147
367 HB2 LEU 558 2HB LEU 558 -18.952 -5.740 2.876
368 HB3 LEU 558 1HB LEU 558 -18.910 -4.030 3.254
369 HG LEU 558 HG LEU 558 -18.150 -5.198 0.574
370 HD11 LEU 558 1HD1 LEU 558 -20.596 -3.574 0.928
371 HD12 LEU 558 2HD1 LEU 558 -20.644 -5.238 1.514
372 HD13 LEU 558 3HD1 LEU 558 -20.266 -4.908 -0.177
373 HD21 LEU 558 3HD2 LEU 558 -17.191 -3.198 0.320
374 HD22 LEU 558 1HD2 LEU 558 -17.953 -2.547 1.770
375 HD23 LEU 558 2HD2 LEU 558 -18.831 -2.559 0.241
376 H ARG 559 H ARG 559 -16.214 -4.887 0.674
377 HA ARG 559 HA ARG 559 -14.352 -6.949 0.610
378 HB2 ARG 559 2HB ARG 559 -15.558 -8.785 -0.406
379 HB3 ARG 559 1HB ARG 559 -16.310 -8.386 1.133
380 HG2 ARG 559 2HG ARG 559 -17.466 -6.917 -1.087
381 HG3 ARG 559 1HG ARG 559 -17.595 -8.669 -1.285
382 HD2 ARG 559 2HD ARG 559 -18.245 -8.115 1.398
383 HD3 ARG 559 1HD ARG 559 -19.090 -6.914 0.423
384 HE ARG 559 HE ARG 559 -19.639 -9.207 -0.872
385 HH11 ARG 559 1HH1 ARG 559 -19.889 -8.293 2.488
386 HH12 ARG 559 2HH1 ARG 559 -21.224 -9.350 2.804
387 HH21 ARG 559 1HH2 ARG 559 -21.395 -10.595 -0.457
388 HH22 ARG 559 2HH2 ARG 559 -22.079 -10.655 1.132
389 H GLN 560 H GLN 560 -14.723 -4.413 -0.503
390 HA GLN 560 HA GLN 560 -15.049 -4.931 -3.369
391 HB2 GLN 560 2HB GLN 560 -15.396 -2.622 -3.681
392 HB3 GLN 560 1HB GLN 560 -16.276 -3.028 -2.216
393 HG2 GLN 560 2HG GLN 560 -13.615 -2.238 -1.531
394 HG3 GLN 560 1HG GLN 560 -14.339 -1.025 -2.585
395 HE21 GLN 560 1HE2 GLN 560 -14.698 -2.784 0.419
396 HE22 GLN 560 2HE2 GLN 560 -15.762 -1.654 1.174
Start of MODEL 6
1 H1 ALA 507 1HT ALA 507 -9.991 -10.653 -7.291
2 H2 ALA 507 2HT ALA 507 -9.828 -12.312 -6.882
3 H3 ALA 507 3HT ALA 507 -10.209 -11.159 -5.668
4 HA ALA 507 HA ALA 507 -11.933 -11.575 -7.993
5 HB1 ALA 507 1HB ALA 507 -13.223 -12.967 -6.117
6 HB2 ALA 507 2HB ALA 507 -11.564 -13.314 -5.629
7 HB3 ALA 507 3HB ALA 507 -12.104 -13.712 -7.259
8 H GLN 508 H GLN 508 -11.806 -11.006 -4.472
9 HA GLN 508 HA GLN 508 -12.991 -8.458 -4.609
10 HB2 GLN 508 2HB GLN 508 -15.188 -9.088 -3.510
11 HB3 GLN 508 1HB GLN 508 -15.042 -9.478 -5.218
12 HG2 GLN 508 2HG GLN 508 -15.798 -11.486 -4.619
13 HG3 GLN 508 1HG GLN 508 -14.150 -11.770 -4.062
14 HE21 GLN 508 1HE2 GLN 508 -17.354 -10.733 -3.055
15 HE22 GLN 508 2HE2 GLN 508 -17.177 -11.173 -1.394
16 HA PRO 509 HA PRO 509 -11.076 -9.979 -0.575
17 HB2 PRO 509 2HB PRO 509 -8.854 -8.431 -0.639
18 HB3 PRO 509 1HB PRO 509 -8.922 -10.032 -1.383
19 HG2 PRO 509 2HG PRO 509 -9.201 -7.339 -2.659
20 HG3 PRO 509 1HG PRO 509 -8.292 -8.753 -3.221
21 HD2 PRO 509 2HD PRO 509 -10.734 -8.095 -4.202
22 HD3 PRO 509 1HD PRO 509 -10.170 -9.774 -4.081
23 H LYS 510 H LYS 510 -10.571 -8.630 1.335
24 HA LYS 510 HA LYS 510 -12.025 -6.073 1.217
25 HB2 LYS 510 2HB LYS 510 -11.738 -8.129 3.393
26 HB3 LYS 510 1HB LYS 510 -12.222 -6.480 3.759
27 HG2 LYS 510 2HG LYS 510 -14.230 -6.682 2.588
28 HG3 LYS 510 1HG LYS 510 -13.679 -8.111 1.713
29 HD2 LYS 510 2HD LYS 510 -13.492 -8.985 4.267
30 HD3 LYS 510 1HD LYS 510 -14.851 -7.867 4.405
31 HE2 LYS 510 2HE LYS 510 -15.121 -9.475 2.037
32 HE3 LYS 510 1HE LYS 510 -14.884 -10.507 3.446
33 HZ1 LYS 510 3HZ LYS 510 -16.951 -8.392 3.166
34 HZ2 LYS 510 1HZ LYS 510 -16.714 -9.350 4.541
35 HZ3 LYS 510 2HZ LYS 510 -17.219 -10.060 3.091
36 H CYS 511 H CYS 511 -10.921 -4.264 1.589
37 HA CYS 511 HA CYS 511 -9.251 -2.829 2.162
38 HB2 CYS 511 2HB CYS 511 -9.637 -4.537 4.398
39 HB3 CYS 511 1HB CYS 511 -7.902 -4.296 4.222
40 H ASN 512 H ASN 512 -7.702 -2.629 0.685
41 HA ASN 512 HA ASN 512 -5.819 -4.839 0.308
42 HB2 ASN 512 2HB ASN 512 -6.242 -2.503 -1.553
43 HB3 ASN 512 1HB ASN 512 -5.325 -3.966 -1.873
44 HD21 ASN 512 1HD2 ASN 512 -8.587 -2.911 -0.968
45 HD22 ASN 512 2HD2 ASN 512 -9.414 -4.099 -1.904
46 HA PRO 513 HA PRO 513 -2.900 -1.247 1.169
47 HB2 PRO 513 2HB PRO 513 -3.776 1.289 0.775
48 HB3 PRO 513 1HB PRO 513 -3.305 0.219 -0.549
49 HG2 PRO 513 2HG PRO 513 -5.939 1.227 0.064
50 HG3 PRO 513 1HG PRO 513 -5.444 0.207 -1.295
51 HD2 PRO 513 2HD PRO 513 -6.634 -0.571 1.309
52 HD3 PRO 513 1HD PRO 513 -6.725 -1.381 -0.267
53 H ASN 514 H ASN 514 -5.512 -1.658 2.993
54 HA ASN 514 HA ASN 514 -4.622 0.266 5.033
55 HB2 ASN 514 2HB ASN 514 -7.365 -0.352 4.049
56 HB3 ASN 514 1HB ASN 514 -7.172 -0.059 5.775
57 HD21 ASN 514 1HD2 ASN 514 -7.260 1.328 2.638
58 HD22 ASN 514 2HD2 ASN 514 -7.056 2.973 3.116
59 H LEU 515 H LEU 515 -3.323 -1.918 5.142
60 HA LEU 515 HA LEU 515 -4.682 -3.646 7.100
61 HB2 LEU 515 2HB LEU 515 -2.325 -4.784 5.783
62 HB3 LEU 515 1HB LEU 515 -3.879 -5.510 6.129
63 HG LEU 515 HG LEU 515 -3.561 -5.549 3.772
64 HD11 LEU 515 1HD1 LEU 515 -5.746 -5.174 3.716
65 HD12 LEU 515 2HD1 LEU 515 -5.353 -3.513 3.282
66 HD13 LEU 515 3HD1 LEU 515 -5.651 -3.938 4.966
67 HD21 LEU 515 3HD2 LEU 515 -2.143 -3.169 4.174
68 HD22 LEU 515 1HD2 LEU 515 -3.510 -2.745 3.141
69 HD23 LEU 515 2HD2 LEU 515 -2.397 -4.026 2.654
70 H HIS 516 H HIS 516 -1.434 -2.567 6.079
71 HA HIS 516 HA HIS 516 -0.702 -1.648 8.634
72 HB2 HIS 516 2HB HIS 516 0.517 -3.352 9.586
73 HB3 HIS 516 1HB HIS 516 -0.765 -4.274 8.803
74 HD1 HIS 516 1HD HIS 516 -0.124 -5.683 6.750
75 HD2 HIS 516 2HD HIS 516 3.026 -3.568 8.419
76 HE1 HIS 516 1HE HIS 516 1.925 -6.505 5.565
77 HE2 HIS 516 2HE HIS 516 3.831 -5.192 6.564
78 H TYR 517 H TYR 517 0.790 -3.307 5.839
79 HA TYR 517 HA TYR 517 3.207 -1.959 5.793
80 HB2 TYR 517 2HB TYR 517 2.340 -2.328 3.073
81 HB3 TYR 517 1HB TYR 517 3.636 -3.123 3.938
82 HD1 TYR 517 2HD TYR 517 -0.112 -3.422 4.321
83 HD2 TYR 517 1HD TYR 517 3.569 -5.320 3.330
84 HE1 TYR 517 2HE TYR 517 -1.286 -5.559 4.072
85 HE2 TYR 517 1HE TYR 517 2.393 -7.460 3.059
86 HH TYR 517 HH TYR 517 -0.390 -7.972 2.475
87 H TRP 518 H TRP 518 0.174 -0.608 5.259
88 HA TRP 518 HA TRP 518 1.375 1.666 3.837
89 HB2 TRP 518 2HB TRP 518 -1.546 1.021 3.662
90 HB3 TRP 518 1HB TRP 518 -0.538 1.856 2.505
91 HD1 TRP 518 HD TRP 518 0.016 -1.697 3.895
92 HE1 TRP 518 1HE TRP 518 0.081 -3.304 1.947
93 HE3 TRP 518 3HE TRP 518 -1.101 1.568 0.135
94 HZ2 TRP 518 2HZ TRP 518 -0.326 -3.258 -0.851
95 HZ3 TRP 518 3HZ TRP 518 -1.257 0.697 -2.161
96 HH2 TRP 518 HH TRP 518 -0.874 -1.668 -2.645
97 H THR 519 H THR 519 -1.233 0.635 5.945
98 HA THR 519 HA THR 519 -2.011 3.153 6.894
99 HB THR 519 HB THR 519 -3.315 1.059 7.170
100 HG1 THR 519 1HG THR 519 -3.987 1.539 9.313
101 HG21 THR 519 3HG2 THR 519 -0.955 0.199 8.569
102 HG22 THR 519 1HG2 THR 519 -2.357 -0.733 8.042
103 HG23 THR 519 2HG2 THR 519 -2.382 0.084 9.604
104 H THR 520 H THR 520 0.721 1.199 7.683
105 HA THR 520 HA THR 520 1.207 2.533 10.202
106 HB THR 520 HB THR 520 1.835 0.058 9.382
107 HG1 THR 520 1HG THR 520 2.016 0.739 11.498
108 HG21 THR 520 3HG2 THR 520 4.366 1.621 8.912
109 HG22 THR 520 1HG2 THR 520 3.515 0.590 7.761
110 HG23 THR 520 2HG2 THR 520 4.293 -0.121 9.173
111 H GLN 521 H GLN 521 2.992 2.277 7.123
112 HA GLN 521 HA GLN 521 4.436 4.702 7.871
113 HB2 GLN 521 2HB GLN 521 6.135 4.066 6.376
114 HB3 GLN 521 1HB GLN 521 5.648 2.580 7.179
115 HG2 GLN 521 2HG GLN 521 4.636 1.735 5.284
116 HG3 GLN 521 1HG GLN 521 4.468 3.321 4.546
117 HE21 GLN 521 1HE2 GLN 521 6.617 4.442 4.075
118 HE22 GLN 521 2HE2 GLN 521 7.861 3.445 3.409
119 H ASP 522 H ASP 522 5.202 5.451 5.275
120 HA ASP 522 HA ASP 522 2.704 6.682 4.375
121 HB2 ASP 522 2HB ASP 522 5.559 7.500 4.318
122 HB3 ASP 522 1HB ASP 522 4.465 8.154 3.106
123 H GLU 523 H GLU 523 3.454 4.013 3.614
124 HA GLU 523 HA GLU 523 3.752 2.652 1.794
125 HB2 GLU 523 2HB GLU 523 2.068 4.902 0.719
126 HB3 GLU 523 1HB GLU 523 2.416 3.447 -0.212
127 HG2 GLU 523 2HG GLU 523 0.565 2.657 0.740
128 HG3 GLU 523 1HG GLU 523 1.621 2.389 2.127
129 H GLY 524 H GLY 524 6.015 3.155 1.898
130 HA2 GLY 524 2HA GLY 524 7.896 3.302 0.477
131 HA3 GLY 524 1HA GLY 524 6.942 4.280 -0.634
132 H ALA 525 H ALA 525 5.909 5.886 1.655
133 HA ALA 525 HA ALA 525 6.370 7.912 2.543
134 HB1 ALA 525 1HB ALA 525 7.602 7.631 4.363
135 HB2 ALA 525 2HB ALA 525 9.067 7.420 3.402
136 HB3 ALA 525 3HB ALA 525 8.021 6.039 3.731
137 H ALA 526 H ALA 526 7.660 7.173 -0.253
138 HA ALA 526 HA ALA 526 9.027 8.172 -1.771
139 HB1 ALA 526 1HB ALA 526 8.357 10.288 -2.262
140 HB2 ALA 526 2HB ALA 526 8.507 10.837 -0.592
141 HB3 ALA 526 3HB ALA 526 7.106 9.885 -1.086
142 H ILE 527 H ILE 527 10.060 7.628 1.077
143 HA ILE 527 HA ILE 527 11.959 9.511 1.805
144 HB ILE 527 HB ILE 527 13.230 7.299 2.585
145 HG12 ILE 527 2HG1 ILE 527 11.733 5.478 3.055
146 HG13 ILE 527 1HG1 ILE 527 10.362 6.374 2.414
147 HG21 ILE 527 1HG2 ILE 527 12.631 8.602 4.323
148 HG22 ILE 527 2HG2 ILE 527 11.393 7.362 4.523
149 HG23 ILE 527 3HG2 ILE 527 11.005 8.872 3.697
150 HD11 ILE 527 3HD1 ILE 527 11.009 6.043 0.227
151 HD12 ILE 527 1HD1 ILE 527 11.476 4.525 0.994
152 HD13 ILE 527 2HD1 ILE 527 12.693 5.757 0.664
153 H GLY 528 H GLY 528 11.970 7.347 -0.881
154 HA2 GLY 528 2HA GLY 528 13.902 8.490 -2.359
155 HA3 GLY 528 1HA GLY 528 14.847 7.502 -1.259
156 H LEU 529 H LEU 529 13.030 5.315 -1.114
157 HA LEU 529 HA LEU 529 12.462 3.380 -2.150
158 HB2 LEU 529 2HB LEU 529 12.441 5.182 -4.546
159 HB3 LEU 529 1HB LEU 529 12.129 3.465 -4.681
160 HG LEU 529 HG LEU 529 10.138 3.624 -3.392
161 HD11 LEU 529 1HD1 LEU 529 11.185 6.325 -2.646
162 HD12 LEU 529 2HD1 LEU 529 10.608 5.023 -1.605
163 HD13 LEU 529 3HD1 LEU 529 9.460 5.970 -2.552
164 HD21 LEU 529 3HD2 LEU 529 9.058 5.731 -4.615
165 HD22 LEU 529 1HD2 LEU 529 9.430 4.228 -5.459
166 HD23 LEU 529 2HD2 LEU 529 10.539 5.595 -5.563
167 H ALA 530 H ALA 530 15.111 5.122 -3.674
168 HA ALA 530 HA ALA 530 16.257 2.715 -4.707
169 HB1 ALA 530 1HB ALA 530 17.622 5.385 -4.448
170 HB2 ALA 530 2HB ALA 530 16.528 4.967 -5.767
171 HB3 ALA 530 3HB ALA 530 18.029 4.067 -5.548
172 H TRP 531 H TRP 531 16.504 4.481 -1.769
173 HA TRP 531 HA TRP 531 18.968 3.941 -0.759
174 HB2 TRP 531 2HB TRP 531 17.838 3.833 1.499
175 HB3 TRP 531 1HB TRP 531 17.427 5.239 0.528
176 HD1 TRP 531 HD TRP 531 15.087 4.575 -1.111
177 HE1 TRP 531 1HE TRP 531 12.871 3.748 -0.177
178 HE3 TRP 531 3HE TRP 531 16.723 2.800 3.387
179 HZ2 TRP 531 2HZ TRP 531 11.894 2.513 2.172
180 HZ3 TRP 531 3HZ TRP 531 15.077 1.812 4.930
181 HH2 TRP 531 HH TRP 531 12.713 1.673 4.333
182 H ILE 532 H ILE 532 16.401 1.654 -1.329
183 HA ILE 532 HA ILE 532 18.003 -0.446 -0.055
184 HB ILE 532 HB ILE 532 15.944 -1.717 0.128
185 HG12 ILE 532 2HG1 ILE 532 14.968 -0.279 -1.916
186 HG13 ILE 532 1HG1 ILE 532 13.939 -1.130 -0.770
187 HG21 ILE 532 1HG2 ILE 532 16.094 1.031 1.280
188 HG22 ILE 532 2HG2 ILE 532 16.386 -0.525 2.063
189 HG23 ILE 532 3HG2 ILE 532 14.738 -0.026 1.680
190 HD11 ILE 532 3HD1 ILE 532 13.315 0.809 0.304
191 HD12 ILE 532 1HD1 ILE 532 13.417 1.318 -1.383
192 HD13 ILE 532 2HD1 ILE 532 14.728 1.695 -0.266
193 HA PRO 533 HA PRO 533 18.543 -2.549 -3.852
194 HB2 PRO 533 2HB PRO 533 17.928 -5.151 -2.716
195 HB3 PRO 533 1HB PRO 533 19.494 -4.472 -3.157
196 HG2 PRO 533 2HG PRO 533 18.746 -4.926 -0.586
197 HG3 PRO 533 1HG PRO 533 19.872 -3.641 -1.057
198 HD2 PRO 533 2HD PRO 533 16.951 -3.463 -0.415
199 HD3 PRO 533 1HD PRO 533 18.277 -2.374 0.050
200 H TYR 534 H TYR 534 15.651 -3.765 -2.130
201 HA TYR 534 HA TYR 534 14.138 -3.557 -4.589
202 HB2 TYR 534 2HB TYR 534 13.376 -5.956 -4.455
203 HB3 TYR 534 1HB TYR 534 15.039 -5.717 -4.980
204 HD1 TYR 534 1HD TYR 534 12.982 -6.545 -1.992
205 HD2 TYR 534 2HD TYR 534 16.792 -6.795 -3.868
206 HE1 TYR 534 1HE TYR 534 13.751 -8.060 -0.214
207 HE2 TYR 534 2HE TYR 534 17.572 -8.311 -2.096
208 HH TYR 534 HH TYR 534 16.528 -9.911 -0.449
209 H PHE 535 H PHE 535 14.188 -3.057 -1.379
210 HA PHE 535 HA PHE 535 11.611 -4.052 -0.625
211 HB2 PHE 535 2HB PHE 535 12.874 -1.724 0.769
212 HB3 PHE 535 1HB PHE 535 11.955 -3.059 1.441
213 HD1 PHE 535 2HD PHE 535 13.647 -5.204 -0.097
214 HD2 PHE 535 1HD PHE 535 14.613 -1.890 2.389
215 HE1 PHE 535 2HE PHE 535 15.754 -6.302 0.544
216 HE2 PHE 535 1HE PHE 535 16.720 -2.976 3.030
217 HZ PHE 535 HZ PHE 535 17.295 -5.189 2.110
218 H GLY 536 H GLY 536 12.812 -1.206 -2.164
219 HA2 GLY 536 2HA GLY 536 10.168 0.068 -1.973
220 HA3 GLY 536 1HA GLY 536 11.673 0.915 -2.293
221 HA PRO 537 HA PRO 537 11.311 0.469 -6.672
222 HB2 PRO 537 2HB PRO 537 13.487 -1.502 -6.985
223 HB3 PRO 537 1HB PRO 537 13.365 0.144 -7.612
224 HG2 PRO 537 2HG PRO 537 15.044 -0.459 -5.616
225 HG3 PRO 537 1HG PRO 537 14.180 1.090 -5.662
226 HD2 PRO 537 2HD PRO 537 13.578 -1.369 -4.057
227 HD3 PRO 537 1HD PRO 537 13.530 0.334 -3.561
228 H ALA 538 H ALA 538 11.897 -2.681 -5.167
229 HA ALA 538 HA ALA 538 10.305 -4.015 -7.216
230 HB1 ALA 538 1HB ALA 538 11.374 -5.921 -6.668
231 HB2 ALA 538 2HB ALA 538 11.318 -5.582 -4.938
232 HB3 ALA 538 3HB ALA 538 12.545 -4.815 -5.948
233 H ALA 539 H ALA 539 9.736 -2.439 -4.342
234 HA ALA 539 HA ALA 539 8.027 -4.028 -2.876
235 HB1 ALA 539 1HB ALA 539 8.786 -1.365 -2.855
236 HB2 ALA 539 2HB ALA 539 7.729 -2.164 -1.691
237 HB3 ALA 539 3HB ALA 539 7.036 -1.308 -3.068
238 H GLU 540 H GLU 540 6.801 -1.515 -5.071
239 HA GLU 540 HA GLU 540 5.083 -1.459 -6.540
240 HB2 GLU 540 2HB GLU 540 4.962 -4.450 -6.271
241 HB3 GLU 540 1HB GLU 540 4.324 -3.477 -7.586
242 HG2 GLU 540 2HG GLU 540 7.236 -3.404 -6.950
243 HG3 GLU 540 1HG GLU 540 6.565 -4.745 -7.875
244 H GLY 541 H GLY 541 4.448 -3.824 -3.951
245 HA2 GLY 541 2HA GLY 541 1.699 -2.773 -3.806
246 HA3 GLY 541 1HA GLY 541 2.195 -4.365 -3.255
247 H ILE 542 H ILE 542 4.058 -1.492 -2.571
248 HA ILE 542 HA ILE 542 2.956 -1.298 0.122
249 HB ILE 542 HB ILE 542 5.926 -1.413 -0.063
250 HG12 ILE 542 2HG1 ILE 542 5.698 -3.909 0.555
251 HG13 ILE 542 1HG1 ILE 542 4.096 -3.801 -0.168
252 HG21 ILE 542 1HG2 ILE 542 4.429 -2.662 2.146
253 HG22 ILE 542 2HG2 ILE 542 4.227 -0.920 1.962
254 HG23 ILE 542 3HG2 ILE 542 5.837 -1.603 2.182
255 HD11 ILE 542 3HD1 ILE 542 6.727 -3.903 -1.426
256 HD12 ILE 542 1HD1 ILE 542 5.649 -2.680 -2.102
257 HD13 ILE 542 2HD1 ILE 542 5.147 -4.372 -2.053
258 H TYR 543 H TYR 543 5.061 -0.105 -2.412
259 HA TYR 543 HA TYR 543 5.304 2.473 -1.121
260 HB2 TYR 543 2HB TYR 543 7.208 2.690 -2.322
261 HB3 TYR 543 1HB TYR 543 7.072 0.952 -2.487
262 HD1 TYR 543 2HD TYR 543 5.839 0.073 -4.554
263 HD2 TYR 543 1HD TYR 543 7.331 4.038 -4.225
264 HE1 TYR 543 2HE TYR 543 5.797 0.284 -6.997
265 HE2 TYR 543 1HE TYR 543 7.297 4.264 -6.669
266 HH TYR 543 HH TYR 543 5.729 1.994 -8.704
267 H ILE 544 H ILE 544 4.035 0.984 -4.055
268 HA ILE 544 HA ILE 544 2.783 1.790 -5.795
269 HB ILE 544 HB ILE 544 1.121 2.870 -3.525
270 HG12 ILE 544 2HG1 ILE 544 0.045 0.576 -3.613
271 HG13 ILE 544 1HG1 ILE 544 1.431 0.051 -4.561
272 HG21 ILE 544 1HG2 ILE 544 -0.703 2.017 -5.148
273 HG22 ILE 544 2HG2 ILE 544 0.579 2.083 -6.359
274 HG23 ILE 544 3HG2 ILE 544 0.106 3.546 -5.494
275 HD11 ILE 544 3HD1 ILE 544 1.933 1.380 -1.956
276 HD12 ILE 544 1HD1 ILE 544 2.842 0.116 -2.779
277 HD13 ILE 544 2HD1 ILE 544 1.337 -0.279 -1.959
278 H GLU 545 H GLU 545 2.229 4.363 -3.444
279 HA GLU 545 HA GLU 545 2.454 6.617 -3.538
280 HB2 GLU 545 2HB GLU 545 4.310 6.190 -5.872
281 HB3 GLU 545 1HB GLU 545 4.274 7.552 -4.755
282 HG2 GLU 545 2HG GLU 545 4.790 5.873 -2.933
283 HG3 GLU 545 1HG GLU 545 5.158 4.736 -4.228
284 H GLY 546 H GLY 546 0.310 6.801 -4.139
285 HA2 GLY 546 2HA GLY 546 -0.326 8.467 -6.206
286 HA3 GLY 546 1HA GLY 546 -0.525 6.855 -6.879
287 H LEU 547 H LEU 547 -1.256 5.909 -4.087
288 HA LEU 547 HA LEU 547 -3.960 7.077 -3.911
289 HB2 LEU 547 2HB LEU 547 -5.026 5.018 -3.942
290 HB3 LEU 547 1HB LEU 547 -3.809 4.865 -5.194
291 HG LEU 547 HG LEU 547 -3.638 3.731 -2.401
292 HD11 LEU 547 1HD1 LEU 547 -3.547 2.046 -4.833
293 HD12 LEU 547 2HD1 LEU 547 -5.111 2.726 -4.383
294 HD13 LEU 547 3HD1 LEU 547 -4.229 1.709 -3.243
295 HD21 LEU 547 3HD2 LEU 547 -1.605 2.574 -3.432
296 HD22 LEU 547 1HD2 LEU 547 -1.436 4.270 -2.975
297 HD23 LEU 547 2HD2 LEU 547 -1.676 3.832 -4.666
298 H MET 548 H MET 548 -1.168 6.179 -2.326
299 HA MET 548 HA MET 548 -2.179 5.286 0.146
300 HB2 MET 548 2HB MET 548 0.169 6.146 0.955
301 HB3 MET 548 1HB MET 548 0.031 4.720 -0.057
302 HG2 MET 548 2HG MET 548 1.855 6.069 -0.813
303 HG3 MET 548 1HG MET 548 0.586 6.093 -2.026
304 HE1 MET 548 3HE MET 548 -0.192 9.626 -2.590
305 HE2 MET 548 1HE MET 548 -0.626 7.932 -2.821
306 HE3 MET 548 2HE MET 548 0.954 8.517 -3.343
307 H HIS 549 H HIS 549 -3.917 7.054 0.064
308 HA HIS 549 HA HIS 549 -2.969 9.301 1.712
309 HB2 HIS 549 2HB HIS 549 -5.402 9.811 0.133
310 HB3 HIS 549 1HB HIS 549 -4.031 10.860 0.460
311 HD1 HIS 549 1HD HIS 549 -5.635 9.839 -2.326
312 HD2 HIS 549 2HD HIS 549 -1.688 9.330 -1.139
313 HE1 HIS 549 1HE HIS 549 -4.345 9.436 -4.445
314 HE2 HIS 549 2HE HIS 549 -1.941 9.256 -3.713
315 H ASN 550 H ASN 550 -3.775 6.990 2.887
316 HA ASN 550 HA ASN 550 -5.120 6.242 4.567
317 HB2 ASN 550 2HB ASN 550 -5.732 9.080 4.418
318 HB3 ASN 550 1HB ASN 550 -7.126 8.139 4.935
319 HD21 ASN 550 1HD2 ASN 550 -4.402 9.705 5.947
320 HD22 ASN 550 2HD2 ASN 550 -4.214 8.969 7.498
321 H GLN 551 H GLN 551 -7.322 8.135 2.510
322 HA GLN 551 HA GLN 551 -9.305 7.613 1.540
323 HB2 GLN 551 2HB GLN 551 -8.640 4.914 0.712
324 HB3 GLN 551 1HB GLN 551 -8.946 6.341 -0.255
325 HG2 GLN 551 2HG GLN 551 -6.801 5.917 -0.861
326 HG3 GLN 551 1HG GLN 551 -6.516 6.989 0.505
327 HE21 GLN 551 1HE2 GLN 551 -7.441 3.571 0.469
328 HE22 GLN 551 2HE2 GLN 551 -6.053 3.009 1.324
329 H ASP 552 H ASP 552 -8.572 4.292 2.405
330 HA ASP 552 HA ASP 552 -9.701 2.735 3.612
331 HB2 ASP 552 2HB ASP 552 -9.939 5.219 5.186
332 HB3 ASP 552 1HB ASP 552 -11.124 3.975 5.574
333 H GLY 553 H GLY 553 -11.039 4.315 1.374
334 HA2 GLY 553 2HA GLY 553 -13.771 3.375 1.965
335 HA3 GLY 553 1HA GLY 553 -13.509 4.953 1.237
336 H LEU 554 H LEU 554 -11.318 4.088 -0.439
337 HA LEU 554 HA LEU 554 -12.871 2.942 -2.603
338 HB2 LEU 554 2HB LEU 554 -10.906 3.462 -3.963
339 HB3 LEU 554 1HB LEU 554 -11.471 4.854 -3.060
340 HG LEU 554 HG LEU 554 -9.584 3.878 -1.350
341 HD11 LEU 554 1HD1 LEU 554 -7.726 3.042 -2.451
342 HD12 LEU 554 2HD1 LEU 554 -8.293 3.574 -4.034
343 HD13 LEU 554 3HD1 LEU 554 -9.059 2.199 -3.239
344 HD21 LEU 554 3HD2 LEU 554 -9.220 5.815 -3.636
345 HD22 LEU 554 1HD2 LEU 554 -8.127 5.659 -2.261
346 HD23 LEU 554 2HD2 LEU 554 -9.791 6.190 -2.011
347 H ILE 555 H ILE 555 -11.452 1.535 -0.132
348 HA ILE 555 HA ILE 555 -10.700 -0.834 -1.656
349 HB ILE 555 HB ILE 555 -8.710 -1.191 -0.262
350 HG12 ILE 555 2HG1 ILE 555 -9.370 0.120 1.703
351 HG13 ILE 555 1HG1 ILE 555 -7.810 0.632 1.099
352 HG21 ILE 555 1HG2 ILE 555 -7.393 -0.103 -1.705
353 HG22 ILE 555 2HG2 ILE 555 -8.099 1.469 -1.320
354 HG23 ILE 555 3HG2 ILE 555 -8.913 0.390 -2.453
355 HD11 ILE 555 3HD1 ILE 555 -9.399 2.356 -0.199
356 HD12 ILE 555 1HD1 ILE 555 -8.651 2.669 1.365
357 HD13 ILE 555 2HD1 ILE 555 -10.318 2.112 1.286
358 H CYS 556 H CYS 556 -11.284 0.618 1.502
359 HA CYS 556 HA CYS 556 -12.178 -1.977 2.507
360 HB2 CYS 556 2HB CYS 556 -10.407 -0.148 3.585
361 HB3 CYS 556 1HB CYS 556 -11.898 0.172 4.468
362 H GLY 557 H GLY 557 -14.287 -2.006 1.777
363 HA2 GLY 557 2HA GLY 557 -16.065 -0.058 3.087
364 HA3 GLY 557 1HA GLY 557 -16.260 -0.405 1.376
365 H LEU 558 H LEU 558 -16.404 -2.873 0.924
366 HA LEU 558 HA LEU 558 -17.958 -4.197 3.025
367 HB2 LEU 558 2HB LEU 558 -19.670 -4.875 1.477
368 HB3 LEU 558 1HB LEU 558 -19.534 -3.128 1.466
369 HG LEU 558 HG LEU 558 -18.299 -4.913 -0.630
370 HD11 LEU 558 1HD1 LEU 558 -20.950 -4.679 -0.299
371 HD12 LEU 558 2HD1 LEU 558 -20.175 -4.837 -1.875
372 HD13 LEU 558 3HD1 LEU 558 -20.641 -3.245 -1.276
373 HD21 LEU 558 3HD2 LEU 558 -18.145 -2.088 -0.023
374 HD22 LEU 558 1HD2 LEU 558 -18.772 -2.375 -1.646
375 HD23 LEU 558 2HD2 LEU 558 -17.215 -3.048 -1.172
376 H ARG 559 H ARG 559 -16.395 -4.584 -0.154
377 HA ARG 559 HA ARG 559 -14.789 -6.726 0.621
378 HB2 ARG 559 2HB ARG 559 -15.884 -8.633 -0.393
379 HB3 ARG 559 1HB ARG 559 -16.953 -7.923 0.808
380 HG2 ARG 559 2HG ARG 559 -17.352 -6.788 -1.828
381 HG3 ARG 559 1HG ARG 559 -17.601 -8.538 -1.799
382 HD2 ARG 559 2HD ARG 559 -18.876 -6.617 0.142
383 HD3 ARG 559 1HD ARG 559 -19.651 -7.177 -1.339
384 HE ARG 559 HE ARG 559 -18.746 -9.310 0.358
385 HH11 ARG 559 1HH1 ARG 559 -21.360 -7.089 -0.289
386 HH12 ARG 559 2HH1 ARG 559 -22.561 -8.089 0.456
387 HH21 ARG 559 1HH2 ARG 559 -20.325 -10.627 1.338
388 HH22 ARG 559 2HH2 ARG 559 -21.973 -10.098 1.380
389 H GLN 560 H GLN 560 -14.587 -4.409 -0.925
390 HA GLN 560 HA GLN 560 -14.176 -5.418 -3.647
391 HB2 GLN 560 2HB GLN 560 -14.272 -3.201 -4.425
392 HB3 GLN 560 1HB GLN 560 -15.534 -3.309 -3.209
393 HG2 GLN 560 2HG GLN 560 -13.157 -2.477 -1.911
394 HG3 GLN 560 1HG GLN 560 -13.353 -1.498 -3.364
395 HE21 GLN 560 1HE2 GLN 560 -14.980 -2.596 -0.442
396 HE22 GLN 560 2HE2 GLN 560 -16.029 -1.234 -0.297
Start of MODEL 7
1 H1 ALA 507 1HT ALA 507 -11.865 -11.631 -3.770
2 H2 ALA 507 2HT ALA 507 -11.964 -13.344 -3.792
3 H3 ALA 507 3HT ALA 507 -12.351 -12.479 -2.362
4 HA ALA 507 HA ALA 507 -13.799 -12.308 -4.915
5 HB1 ALA 507 1HB ALA 507 -14.985 -13.491 -2.464
6 HB2 ALA 507 2HB ALA 507 -13.847 -14.470 -3.390
7 HB3 ALA 507 3HB ALA 507 -15.305 -13.844 -4.161
8 H GLN 508 H GLN 508 -13.993 -11.733 -1.397
9 HA GLN 508 HA GLN 508 -14.939 -9.037 -1.878
10 HB2 GLN 508 2HB GLN 508 -16.658 -11.188 -0.672
11 HB3 GLN 508 1HB GLN 508 -16.888 -9.500 -0.233
12 HG2 GLN 508 2HG GLN 508 -16.993 -10.560 -3.047
13 HG3 GLN 508 1HG GLN 508 -18.401 -10.288 -2.022
14 HE21 GLN 508 1HE2 GLN 508 -18.913 -8.140 -1.405
15 HE22 GLN 508 2HE2 GLN 508 -18.390 -6.799 -2.360
16 HA PRO 509 HA PRO 509 -12.544 -9.882 2.106
17 HB2 PRO 509 2HB PRO 509 -10.098 -9.027 1.413
18 HB3 PRO 509 1HB PRO 509 -10.634 -10.676 1.071
19 HG2 PRO 509 2HG PRO 509 -10.513 -8.307 -0.755
20 HG3 PRO 509 1HG PRO 509 -10.038 -9.986 -1.069
21 HD2 PRO 509 2HD PRO 509 -12.423 -8.910 -1.869
22 HD3 PRO 509 1HD PRO 509 -12.188 -10.636 -1.525
23 H LYS 510 H LYS 510 -12.445 -8.326 3.632
24 HA LYS 510 HA LYS 510 -12.957 -5.585 2.817
25 HB2 LYS 510 2HB LYS 510 -12.679 -6.545 5.656
26 HB3 LYS 510 1HB LYS 510 -13.594 -5.171 5.050
27 HG2 LYS 510 2HG LYS 510 -14.613 -7.509 3.809
28 HG3 LYS 510 1HG LYS 510 -14.481 -7.820 5.541
29 HD2 LYS 510 2HD LYS 510 -16.103 -6.338 6.058
30 HD3 LYS 510 1HD LYS 510 -15.593 -5.193 4.816
31 HE2 LYS 510 2HE LYS 510 -17.469 -5.820 3.761
32 HE3 LYS 510 1HE LYS 510 -16.541 -7.249 3.307
33 HZ1 LYS 510 3HZ LYS 510 -18.386 -7.000 5.620
34 HZ2 LYS 510 1HZ LYS 510 -17.420 -8.355 5.306
35 HZ3 LYS 510 2HZ LYS 510 -18.640 -7.915 4.220
36 H CYS 511 H CYS 511 -11.474 -4.038 2.724
37 HA CYS 511 HA CYS 511 -9.508 -2.914 2.914
38 HB2 CYS 511 2HB CYS 511 -9.362 -4.497 5.485
39 HB3 CYS 511 1HB CYS 511 -8.233 -3.216 5.056
40 H ASN 512 H ASN 512 -8.303 -3.581 1.243
41 HA ASN 512 HA ASN 512 -6.813 -6.077 1.454
42 HB2 ASN 512 2HB ASN 512 -7.047 -4.327 -0.987
43 HB3 ASN 512 1HB ASN 512 -6.484 -5.990 -0.910
44 HD21 ASN 512 1HD2 ASN 512 -9.332 -3.995 -0.204
45 HD22 ASN 512 2HD2 ASN 512 -10.490 -5.193 -0.650
46 HA PRO 513 HA PRO 513 -3.287 -2.986 0.970
47 HB2 PRO 513 2HB PRO 513 -3.853 -0.479 0.083
48 HB3 PRO 513 1HB PRO 513 -3.700 -1.878 -0.984
49 HG2 PRO 513 2HG PRO 513 -6.071 -0.350 -0.389
50 HG3 PRO 513 1HG PRO 513 -5.888 -1.703 -1.515
51 HD2 PRO 513 2HD PRO 513 -6.878 -1.696 1.271
52 HD3 PRO 513 1HD PRO 513 -7.221 -2.821 -0.055
53 H ASN 514 H ASN 514 -5.599 -2.605 3.106
54 HA ASN 514 HA ASN 514 -4.275 -0.399 4.532
55 HB2 ASN 514 2HB ASN 514 -7.146 -1.026 4.126
56 HB3 ASN 514 1HB ASN 514 -6.690 -0.524 5.753
57 HD21 ASN 514 1HD2 ASN 514 -6.878 0.422 2.397
58 HD22 ASN 514 2HD2 ASN 514 -6.693 2.118 2.666
59 H LEU 515 H LEU 515 -3.083 -2.655 4.742
60 HA LEU 515 HA LEU 515 -4.134 -4.166 7.004
61 HB2 LEU 515 2HB LEU 515 -1.598 -4.906 5.650
62 HB3 LEU 515 1HB LEU 515 -2.849 -5.932 6.314
63 HG LEU 515 HG LEU 515 -2.997 -6.326 4.035
64 HD11 LEU 515 1HD1 LEU 515 -5.097 -5.013 5.272
65 HD12 LEU 515 2HD1 LEU 515 -5.173 -5.963 3.788
66 HD13 LEU 515 3HD1 LEU 515 -4.947 -4.216 3.706
67 HD21 LEU 515 3HD2 LEU 515 -3.235 -3.733 2.852
68 HD22 LEU 515 1HD2 LEU 515 -2.050 -4.997 2.527
69 HD23 LEU 515 2HD2 LEU 515 -1.749 -3.809 3.798
70 H HIS 516 H HIS 516 -1.147 -2.493 6.001
71 HA HIS 516 HA HIS 516 -0.671 -1.425 8.558
72 HB2 HIS 516 2HB HIS 516 0.922 -2.807 9.521
73 HB3 HIS 516 1HB HIS 516 -0.193 -3.975 8.818
74 HD1 HIS 516 1HD HIS 516 0.674 -5.419 6.895
75 HD2 HIS 516 2HD HIS 516 3.367 -2.537 8.173
76 HE1 HIS 516 1HE HIS 516 2.809 -5.916 5.672
77 HE2 HIS 516 2HE HIS 516 4.485 -4.274 6.602
78 H TYR 517 H TYR 517 1.170 -2.731 5.783
79 HA TYR 517 HA TYR 517 3.199 -0.831 5.872
80 HB2 TYR 517 2HB TYR 517 2.968 -1.511 3.153
81 HB3 TYR 517 1HB TYR 517 4.125 -2.102 4.323
82 HD1 TYR 517 2HD TYR 517 0.462 -2.924 4.164
83 HD2 TYR 517 1HD TYR 517 4.465 -4.259 3.593
84 HE1 TYR 517 2HE TYR 517 -0.348 -5.216 3.810
85 HE2 TYR 517 1HE TYR 517 3.654 -6.545 3.216
86 HH TYR 517 HH TYR 517 1.646 -7.706 2.572
87 H TRP 518 H TRP 518 0.012 -0.524 4.582
88 HA TRP 518 HA TRP 518 0.819 2.028 3.351
89 HB2 TRP 518 2HB TRP 518 -1.785 0.855 2.581
90 HB3 TRP 518 1HB TRP 518 -0.597 1.679 1.599
91 HD1 TRP 518 HD TRP 518 0.943 -1.268 3.270
92 HE1 TRP 518 1HE TRP 518 1.157 -3.185 1.649
93 HE3 TRP 518 3HE TRP 518 -1.984 0.562 -0.485
94 HZ2 TRP 518 2HZ TRP 518 0.192 -3.900 -0.911
95 HZ3 TRP 518 3HZ TRP 518 -2.282 -0.813 -2.503
96 HH2 TRP 518 HH TRP 518 -1.211 -2.997 -2.714
97 H THR 519 H THR 519 -1.606 0.392 5.258
98 HA THR 519 HA THR 519 -3.390 2.487 5.694
99 HB THR 519 HB THR 519 -3.935 0.217 6.318
100 HG1 THR 519 1HG THR 519 -5.122 1.452 7.596
101 HG21 THR 519 3HG2 THR 519 -2.894 -1.032 7.979
102 HG22 THR 519 1HG2 THR 519 -2.039 0.366 8.627
103 HG23 THR 519 2HG2 THR 519 -1.556 -0.320 7.075
104 H THR 520 H THR 520 -0.220 1.995 6.927
105 HA THR 520 HA THR 520 -0.644 4.026 9.005
106 HB THR 520 HB THR 520 1.058 1.656 8.784
107 HG1 THR 520 1HG THR 520 0.833 1.738 11.004
108 HG21 THR 520 3HG2 THR 520 2.297 4.232 9.685
109 HG22 THR 520 1HG2 THR 520 2.966 2.993 8.623
110 HG23 THR 520 2HG2 THR 520 2.795 2.676 10.351
111 H GLN 521 H GLN 521 2.053 3.100 6.891
112 HA GLN 521 HA GLN 521 2.740 5.925 6.652
113 HB2 GLN 521 2HB GLN 521 4.940 5.219 6.084
114 HB3 GLN 521 1HB GLN 521 4.420 4.237 7.443
115 HG2 GLN 521 2HG GLN 521 4.298 2.322 6.202
116 HG3 GLN 521 1HG GLN 521 4.020 3.183 4.694
117 HE21 GLN 521 1HE2 GLN 521 6.056 4.918 4.512
118 HE22 GLN 521 2HE2 GLN 521 7.574 4.099 4.472
119 H ASP 522 H ASP 522 4.297 5.706 4.337
120 HA ASP 522 HA ASP 522 2.205 5.798 2.308
121 HB2 ASP 522 2HB ASP 522 4.410 7.387 2.886
122 HB3 ASP 522 1HB ASP 522 4.850 6.531 1.416
123 H GLU 523 H GLU 523 3.109 3.248 3.215
124 HA GLU 523 HA GLU 523 3.689 1.195 2.397
125 HB2 GLU 523 2HB GLU 523 3.696 2.388 -0.362
126 HB3 GLU 523 1HB GLU 523 3.278 0.751 0.121
127 HG2 GLU 523 2HG GLU 523 1.214 1.427 1.005
128 HG3 GLU 523 1HG GLU 523 1.659 3.131 0.950
129 H GLY 524 H GLY 524 5.691 3.440 2.846
130 HA2 GLY 524 2HA GLY 524 8.035 3.083 3.026
131 HA3 GLY 524 1HA GLY 524 7.945 2.018 1.630
132 H ALA 525 H ALA 525 6.390 5.167 1.797
133 HA ALA 525 HA ALA 525 8.305 6.088 -0.232
134 HB1 ALA 525 1HB ALA 525 5.667 7.374 -0.203
135 HB2 ALA 525 2HB ALA 525 5.683 5.676 -0.676
136 HB3 ALA 525 3HB ALA 525 6.663 6.846 -1.559
137 H ALA 526 H ALA 526 7.641 6.553 2.894
138 HA ALA 526 HA ALA 526 7.772 9.427 2.860
139 HB1 ALA 526 1HB ALA 526 6.363 8.968 4.566
140 HB2 ALA 526 2HB ALA 526 7.870 8.858 5.475
141 HB3 ALA 526 3HB ALA 526 7.092 7.393 4.876
142 H ILE 527 H ILE 527 9.989 7.483 2.086
143 HA ILE 527 HA ILE 527 12.070 8.642 3.806
144 HB ILE 527 HB ILE 527 12.933 6.201 2.530
145 HG12 ILE 527 2HG1 ILE 527 11.493 4.739 4.086
146 HG13 ILE 527 1HG1 ILE 527 10.398 6.106 4.163
147 HG21 ILE 527 1HG2 ILE 527 12.925 7.456 5.203
148 HG22 ILE 527 2HG2 ILE 527 14.247 6.724 4.293
149 HG23 ILE 527 3HG2 ILE 527 13.097 5.701 5.153
150 HD11 ILE 527 3HD1 ILE 527 11.088 5.484 1.443
151 HD12 ILE 527 1HD1 ILE 527 9.509 5.581 2.217
152 HD13 ILE 527 2HD1 ILE 527 10.430 4.077 2.277
153 H GLY 528 H GLY 528 11.573 7.127 0.579
154 HA2 GLY 528 2HA GLY 528 12.298 9.043 -1.108
155 HA3 GLY 528 1HA GLY 528 13.864 8.619 -0.437
156 H LEU 529 H LEU 529 12.765 5.764 -0.189
157 HA LEU 529 HA LEU 529 12.688 3.831 -1.393
158 HB2 LEU 529 2HB LEU 529 12.172 5.760 -3.618
159 HB3 LEU 529 1HB LEU 529 12.346 4.044 -3.919
160 HG LEU 529 HG LEU 529 10.413 3.571 -2.527
161 HD11 LEU 529 1HD1 LEU 529 10.357 5.102 -0.819
162 HD12 LEU 529 2HD1 LEU 529 9.082 5.724 -1.868
163 HD13 LEU 529 3HD1 LEU 529 10.681 6.467 -1.887
164 HD21 LEU 529 3HD2 LEU 529 8.697 4.590 -3.906
165 HD22 LEU 529 1HD2 LEU 529 10.072 4.111 -4.902
166 HD23 LEU 529 2HD2 LEU 529 9.843 5.805 -4.472
167 H ALA 530 H ALA 530 14.920 6.298 -2.150
168 HA ALA 530 HA ALA 530 16.594 4.628 -3.765
169 HB1 ALA 530 1HB ALA 530 17.382 7.226 -2.463
170 HB2 ALA 530 2HB ALA 530 16.480 7.128 -3.976
171 HB3 ALA 530 3HB ALA 530 18.110 6.461 -3.876
172 H TRP 531 H TRP 531 16.161 5.184 -0.452
173 HA TRP 531 HA TRP 531 18.725 4.510 0.539
174 HB2 TRP 531 2HB TRP 531 17.520 4.213 2.697
175 HB3 TRP 531 1HB TRP 531 17.107 5.729 1.903
176 HD1 TRP 531 HD TRP 531 14.761 5.452 0.279
177 HE1 TRP 531 1HE TRP 531 12.563 4.393 0.989
178 HE3 TRP 531 3HE TRP 531 16.441 2.653 4.213
179 HZ2 TRP 531 2HZ TRP 531 11.611 2.613 2.971
180 HZ3 TRP 531 3HZ TRP 531 14.813 1.303 5.471
181 HH2 TRP 531 HH TRP 531 12.448 1.283 4.862
182 H ILE 532 H ILE 532 16.267 2.675 -0.903
183 HA ILE 532 HA ILE 532 17.436 0.193 0.128
184 HB ILE 532 HB ILE 532 15.136 -0.787 -0.288
185 HG12 ILE 532 2HG1 ILE 532 14.560 2.141 -0.602
186 HG13 ILE 532 1HG1 ILE 532 13.961 0.791 -1.551
187 HG21 ILE 532 1HG2 ILE 532 16.028 -0.439 1.929
188 HG22 ILE 532 2HG2 ILE 532 14.318 -0.007 1.915
189 HG23 ILE 532 3HG2 ILE 532 15.549 1.258 1.882
190 HD11 ILE 532 3HD1 ILE 532 13.015 0.515 1.120
191 HD12 ILE 532 1HD1 ILE 532 12.102 0.782 -0.363
192 HD13 ILE 532 2HD1 ILE 532 12.697 2.158 0.562
193 HA PRO 533 HA PRO 533 18.015 -0.659 -4.183
194 HB2 PRO 533 2HB PRO 533 19.013 -3.119 -4.008
195 HB3 PRO 533 1HB PRO 533 19.884 -1.733 -3.342
196 HG2 PRO 533 2HG PRO 533 18.244 -3.795 -1.935
197 HG3 PRO 533 1HG PRO 533 19.772 -3.047 -1.437
198 HD2 PRO 533 2HD PRO 533 17.246 -2.292 -0.549
199 HD3 PRO 533 1HD PRO 533 18.708 -1.293 -0.453
200 H TYR 534 H TYR 534 15.872 -2.665 -2.258
201 HA TYR 534 HA TYR 534 14.373 -3.276 -4.673
202 HB2 TYR 534 2HB TYR 534 14.306 -5.682 -4.254
203 HB3 TYR 534 1HB TYR 534 15.956 -5.130 -4.518
204 HD1 TYR 534 2HD TYR 534 13.552 -5.835 -1.752
205 HD2 TYR 534 1HD TYR 534 17.611 -5.766 -3.025
206 HE1 TYR 534 2HE TYR 534 14.230 -6.868 0.374
207 HE2 TYR 534 1HE TYR 534 18.300 -6.799 -0.902
208 HH TYR 534 HH TYR 534 16.163 -7.111 1.771
209 H PHE 535 H PHE 535 14.220 -2.157 -1.645
210 HA PHE 535 HA PHE 535 11.900 -3.607 -0.724
211 HB2 PHE 535 2HB PHE 535 13.277 -1.131 0.294
212 HB3 PHE 535 1HB PHE 535 11.869 -1.839 1.069
213 HD1 PHE 535 2HD PHE 535 15.291 -2.745 -0.080
214 HD2 PHE 535 1HD PHE 535 12.191 -3.347 2.767
215 HE1 PHE 535 2HE PHE 535 16.775 -4.206 1.218
216 HE2 PHE 535 1HE PHE 535 13.669 -4.808 4.075
217 HZ PHE 535 HZ PHE 535 15.968 -5.245 3.302
218 H GLY 536 H GLY 536 12.596 -0.477 -2.181
219 HA2 GLY 536 2HA GLY 536 9.692 0.003 -2.404
220 HA3 GLY 536 1HA GLY 536 10.907 1.272 -2.357
221 HA PRO 537 HA PRO 537 11.519 1.464 -6.716
222 HB2 PRO 537 2HB PRO 537 14.088 -0.038 -6.587
223 HB3 PRO 537 1HB PRO 537 13.740 1.535 -7.313
224 HG2 PRO 537 2HG PRO 537 15.048 1.353 -4.995
225 HG3 PRO 537 1HG PRO 537 13.874 2.648 -5.285
226 HD2 PRO 537 2HD PRO 537 13.614 0.183 -3.637
227 HD3 PRO 537 1HD PRO 537 12.930 1.798 -3.369
228 H ALA 538 H ALA 538 12.509 -1.675 -5.403
229 HA ALA 538 HA ALA 538 11.747 -3.068 -7.828
230 HB1 ALA 538 1HB ALA 538 12.662 -4.167 -5.173
231 HB2 ALA 538 2HB ALA 538 13.703 -3.802 -6.549
232 HB3 ALA 538 3HB ALA 538 12.492 -5.078 -6.673
233 H ALA 539 H ALA 539 10.521 -2.617 -4.558
234 HA ALA 539 HA ALA 539 8.575 -4.517 -4.339
235 HB1 ALA 539 1HB ALA 539 7.271 -2.436 -3.248
236 HB2 ALA 539 2HB ALA 539 8.907 -1.780 -3.313
237 HB3 ALA 539 3HB ALA 539 8.596 -3.289 -2.456
238 H GLU 540 H GLU 540 6.198 -4.300 -4.558
239 HA GLU 540 HA GLU 540 5.274 -2.621 -6.749
240 HB2 GLU 540 2HB GLU 540 5.059 -5.638 -6.804
241 HB3 GLU 540 1HB GLU 540 4.257 -4.549 -7.927
242 HG2 GLU 540 2HG GLU 540 6.702 -3.696 -8.346
243 HG3 GLU 540 1HG GLU 540 7.127 -5.289 -7.722
244 H GLY 541 H GLY 541 4.494 -5.111 -4.366
245 HA2 GLY 541 2HA GLY 541 1.800 -3.936 -4.092
246 HA3 GLY 541 1HA GLY 541 2.212 -5.594 -3.676
247 H ILE 542 H ILE 542 4.418 -3.082 -2.867
248 HA ILE 542 HA ILE 542 3.439 -2.955 -0.110
249 HB ILE 542 HB ILE 542 6.377 -3.208 -0.461
250 HG12 ILE 542 2HG1 ILE 542 6.018 -5.753 -0.148
251 HG13 ILE 542 1HG1 ILE 542 4.416 -5.450 -0.824
252 HG21 ILE 542 1HG2 ILE 542 4.884 -4.663 1.631
253 HG22 ILE 542 2HG2 ILE 542 4.785 -2.903 1.684
254 HG23 ILE 542 3HG2 ILE 542 6.357 -3.699 1.747
255 HD11 ILE 542 3HD1 ILE 542 6.034 -4.149 -2.597
256 HD12 ILE 542 1HD1 ILE 542 5.412 -5.791 -2.795
257 HD13 ILE 542 2HD1 ILE 542 7.026 -5.536 -2.132
258 H TYR 543 H TYR 543 4.995 -1.502 -2.817
259 HA TYR 543 HA TYR 543 5.432 0.923 -1.282
260 HB2 TYR 543 2HB TYR 543 7.484 1.101 -2.175
261 HB3 TYR 543 1HB TYR 543 7.319 -0.606 -2.516
262 HD1 TYR 543 2HD TYR 543 6.016 -1.115 -4.777
263 HD2 TYR 543 1HD TYR 543 8.143 2.467 -3.912
264 HE1 TYR 543 2HE TYR 543 6.236 -0.667 -7.185
265 HE2 TYR 543 1HE TYR 543 8.361 2.932 -6.307
266 HH TYR 543 HH TYR 543 7.612 0.590 -8.711
267 H ILE 544 H ILE 544 3.540 -0.551 -3.513
268 HA ILE 544 HA ILE 544 2.685 0.234 -5.632
269 HB ILE 544 HB ILE 544 1.005 1.578 -3.549
270 HG12 ILE 544 2HG1 ILE 544 0.009 -0.847 -3.412
271 HG13 ILE 544 1HG1 ILE 544 1.624 -1.327 -3.922
272 HG21 ILE 544 1HG2 ILE 544 0.073 1.828 -5.680
273 HG22 ILE 544 2HG2 ILE 544 -0.782 0.449 -4.988
274 HG23 ILE 544 3HG2 ILE 544 0.510 0.188 -6.161
275 HD11 ILE 544 3HD1 ILE 544 0.723 -0.118 -1.370
276 HD12 ILE 544 1HD1 ILE 544 2.353 0.225 -1.934
277 HD13 ILE 544 2HD1 ILE 544 1.848 -1.441 -1.660
278 H GLU 545 H GLU 545 2.949 2.925 -3.314
279 HA GLU 545 HA GLU 545 3.017 5.183 -3.636
280 HB2 GLU 545 2HB GLU 545 4.795 5.835 -5.341
281 HB3 GLU 545 1HB GLU 545 5.302 4.776 -4.035
282 HG2 GLU 545 2HG GLU 545 5.523 2.941 -5.416
283 HG3 GLU 545 1HG GLU 545 4.431 3.612 -6.630
284 H GLY 546 H GLY 546 0.805 5.289 -4.339
285 HA2 GLY 546 2HA GLY 546 0.397 6.875 -6.577
286 HA3 GLY 546 1HA GLY 546 0.072 5.225 -7.082
287 H LEU 547 H LEU 547 -0.907 4.578 -4.310
288 HA LEU 547 HA LEU 547 -3.488 5.999 -4.442
289 HB2 LEU 547 2HB LEU 547 -4.700 4.035 -4.165
290 HB3 LEU 547 1HB LEU 547 -3.455 3.603 -5.321
291 HG LEU 547 HG LEU 547 -3.419 2.943 -2.375
292 HD11 LEU 547 1HD1 LEU 547 -3.746 1.093 -4.726
293 HD12 LEU 547 2HD1 LEU 547 -5.089 1.708 -3.764
294 HD13 LEU 547 3HD1 LEU 547 -3.860 0.690 -3.013
295 HD21 LEU 547 3HD2 LEU 547 -1.524 1.411 -3.220
296 HD22 LEU 547 1HD2 LEU 547 -1.178 3.122 -2.959
297 HD23 LEU 547 2HD2 LEU 547 -1.454 2.517 -4.592
298 H MET 548 H MET 548 -0.871 5.122 -2.519
299 HA MET 548 HA MET 548 -2.143 4.872 -0.011
300 HB2 MET 548 2HB MET 548 0.255 5.631 0.814
301 HB3 MET 548 1HB MET 548 -0.044 4.019 0.195
302 HG2 MET 548 2HG MET 548 1.984 4.754 -0.743
303 HG3 MET 548 1HG MET 548 0.800 4.828 -2.035
304 HE1 MET 548 3HE MET 548 0.493 8.324 -3.051
305 HE2 MET 548 1HE MET 548 -0.028 6.643 -3.134
306 HE3 MET 548 2HE MET 548 1.564 7.102 -3.735
307 H HIS 549 H HIS 549 -3.638 6.684 -0.364
308 HA HIS 549 HA HIS 549 -2.454 9.186 0.641
309 HB2 HIS 549 2HB HIS 549 -4.963 9.272 -0.966
310 HB3 HIS 549 1HB HIS 549 -3.699 10.483 -0.799
311 HD1 HIS 549 1HD HIS 549 -5.060 8.972 -3.428
312 HD2 HIS 549 2HD HIS 549 -1.181 8.740 -1.958
313 HE1 HIS 549 1HE HIS 549 -3.648 8.247 -5.374
314 HE2 HIS 549 2HE HIS 549 -1.288 8.211 -4.488
315 H ASN 550 H ASN 550 -3.693 6.860 2.020
316 HA ASN 550 HA ASN 550 -5.107 6.449 3.751
317 HB2 ASN 550 2HB ASN 550 -5.288 9.467 3.859
318 HB3 ASN 550 1HB ASN 550 -5.797 8.363 5.132
319 HD21 ASN 550 1HD2 ASN 550 -4.185 9.997 6.135
320 HD22 ASN 550 2HD2 ASN 550 -2.554 9.437 6.241
321 H GLN 551 H GLN 551 -6.383 5.794 1.671
322 HA GLN 551 HA GLN 551 -8.793 7.351 1.266
323 HB2 GLN 551 2HB GLN 551 -8.706 4.689 0.039
324 HB3 GLN 551 1HB GLN 551 -9.056 6.249 -0.685
325 HG2 GLN 551 2HG GLN 551 -7.111 6.074 -1.729
326 HG3 GLN 551 1HG GLN 551 -6.335 6.354 -0.173
327 HE21 GLN 551 1HE2 GLN 551 -6.803 4.015 1.142
328 HE22 GLN 551 2HE2 GLN 551 -6.024 2.707 0.332
329 H ASP 552 H ASP 552 -8.327 3.909 1.793
330 HA ASP 552 HA ASP 552 -9.410 2.366 3.041
331 HB2 ASP 552 2HB ASP 552 -10.014 4.814 4.709
332 HB3 ASP 552 1HB ASP 552 -10.477 3.184 5.191
333 H GLY 553 H GLY 553 -10.784 4.045 0.913
334 HA2 GLY 553 2HA GLY 553 -13.556 3.337 1.647
335 HA3 GLY 553 1HA GLY 553 -13.154 4.733 0.657
336 H LEU 554 H LEU 554 -11.064 3.283 -0.791
337 HA LEU 554 HA LEU 554 -12.782 1.997 -2.748
338 HB2 LEU 554 2HB LEU 554 -10.768 2.017 -4.162
339 HB3 LEU 554 1HB LEU 554 -11.191 3.607 -3.560
340 HG LEU 554 HG LEU 554 -9.392 2.712 -1.665
341 HD11 LEU 554 1HD1 LEU 554 -7.601 1.639 -2.670
342 HD12 LEU 554 2HD1 LEU 554 -8.147 2.031 -4.300
343 HD13 LEU 554 3HD1 LEU 554 -8.994 0.804 -3.357
344 HD21 LEU 554 3HD2 LEU 554 -9.304 4.543 -4.002
345 HD22 LEU 554 1HD2 LEU 554 -7.784 4.161 -3.195
346 HD23 LEU 554 2HD2 LEU 554 -9.109 4.886 -2.283
347 H ILE 555 H ILE 555 -11.317 0.954 -0.055
348 HA ILE 555 HA ILE 555 -11.101 -1.781 -1.025
349 HB ILE 555 HB ILE 555 -8.981 -2.120 0.205
350 HG12 ILE 555 2HG1 ILE 555 -9.142 -0.192 1.733
351 HG13 ILE 555 1HG1 ILE 555 -7.626 -0.201 0.857
352 HG21 ILE 555 1HG2 ILE 555 -7.844 -1.799 -1.676
353 HG22 ILE 555 2HG2 ILE 555 -8.104 -0.052 -1.634
354 HG23 ILE 555 3HG2 ILE 555 -9.334 -1.113 -2.321
355 HD11 ILE 555 3HD1 ILE 555 -8.051 1.937 0.482
356 HD12 ILE 555 1HD1 ILE 555 -9.768 1.758 0.844
357 HD13 ILE 555 2HD1 ILE 555 -9.155 1.334 -0.753
358 H CYS 556 H CYS 556 -10.990 0.472 1.675
359 HA CYS 556 HA CYS 556 -11.775 -1.598 3.550
360 HB2 CYS 556 2HB CYS 556 -10.646 1.138 3.716
361 HB3 CYS 556 1HB CYS 556 -11.671 0.637 5.051
362 H GLY 557 H GLY 557 -13.702 -0.896 1.549
363 HA2 GLY 557 2HA GLY 557 -16.085 -0.959 2.574
364 HA3 GLY 557 1HA GLY 557 -15.675 0.678 3.055
365 H LEU 558 H LEU 558 -14.916 -0.966 0.000
366 HA LEU 558 HA LEU 558 -16.250 1.225 -1.399
367 HB2 LEU 558 2HB LEU 558 -14.947 0.739 -3.274
368 HB3 LEU 558 1HB LEU 558 -13.862 0.491 -1.923
369 HG LEU 558 HG LEU 558 -15.294 -1.888 -3.008
370 HD11 LEU 558 1HD1 LEU 558 -14.285 -0.386 -4.889
371 HD12 LEU 558 2HD1 LEU 558 -14.009 -2.129 -4.887
372 HD13 LEU 558 3HD1 LEU 558 -12.754 -1.038 -4.303
373 HD21 LEU 558 3HD2 LEU 558 -13.746 -3.017 -1.865
374 HD22 LEU 558 1HD2 LEU 558 -13.378 -1.481 -1.080
375 HD23 LEU 558 2HD2 LEU 558 -12.436 -2.009 -2.474
376 H ARG 559 H ARG 559 -16.208 -2.290 -1.225
377 HA ARG 559 HA ARG 559 -18.901 -2.741 -1.459
378 HB2 ARG 559 2HB ARG 559 -19.236 -3.402 -3.787
379 HB3 ARG 559 1HB ARG 559 -18.752 -1.714 -3.709
380 HG2 ARG 559 2HG ARG 559 -16.482 -3.501 -3.942
381 HG3 ARG 559 1HG ARG 559 -17.619 -3.673 -5.283
382 HD2 ARG 559 2HD ARG 559 -16.457 -1.062 -4.327
383 HD3 ARG 559 1HD ARG 559 -15.849 -1.990 -5.696
384 HE ARG 559 HE ARG 559 -18.159 -0.299 -5.645
385 HH11 ARG 559 1HH1 ARG 559 -16.726 -3.089 -7.174
386 HH12 ARG 559 2HH1 ARG 559 -17.635 -2.910 -8.637
387 HH21 ARG 559 1HH2 ARG 559 -19.357 -0.062 -7.568
388 HH22 ARG 559 2HH2 ARG 559 -19.130 -1.193 -8.861
389 H GLN 560 H GLN 560 -16.593 -3.748 -0.234
390 HA GLN 560 HA GLN 560 -16.451 -6.487 -1.278
391 HB2 GLN 560 2HB GLN 560 -14.326 -6.571 0.143
392 HB3 GLN 560 1HB GLN 560 -14.288 -5.599 -1.321
393 HG2 GLN 560 2HG GLN 560 -13.220 -4.615 0.762
394 HG3 GLN 560 1HG GLN 560 -14.330 -3.590 -0.143
395 HE21 GLN 560 1HE2 GLN 560 -15.652 -2.473 1.062
396 HE22 GLN 560 2HE2 GLN 560 -16.263 -2.925 2.614
Start of MODEL 8
1 H1 ALA 507 1HT ALA 507 -10.848 -11.046 -6.700
2 H2 ALA 507 2HT ALA 507 -10.512 -12.729 -6.697
3 H3 ALA 507 3HT ALA 507 -10.871 -11.921 -5.227
4 HA ALA 507 HA ALA 507 -12.705 -12.235 -7.505
5 HB1 ALA 507 1HB ALA 507 -12.743 -14.358 -6.715
6 HB2 ALA 507 2HB ALA 507 -13.842 -13.642 -5.537
7 HB3 ALA 507 3HB ALA 507 -12.148 -13.895 -5.122
8 H GLN 508 H GLN 508 -12.417 -11.508 -4.024
9 HA GLN 508 HA GLN 508 -13.852 -9.076 -4.230
10 HB2 GLN 508 2HB GLN 508 -15.878 -9.719 -2.992
11 HB3 GLN 508 1HB GLN 508 -15.772 -10.545 -4.540
12 HG2 GLN 508 2HG GLN 508 -15.441 -12.590 -3.588
13 HG3 GLN 508 1HG GLN 508 -14.690 -11.919 -2.141
14 HE21 GLN 508 1HE2 GLN 508 -16.123 -10.777 -0.642
15 HE22 GLN 508 2HE2 GLN 508 -17.745 -11.340 -0.455
16 HA PRO 509 HA PRO 509 -11.369 -10.051 -0.332
17 HB2 PRO 509 2HB PRO 509 -9.288 -8.384 -0.794
18 HB3 PRO 509 1HB PRO 509 -9.317 -10.052 -1.375
19 HG2 PRO 509 2HG PRO 509 -9.931 -7.521 -2.853
20 HG3 PRO 509 1HG PRO 509 -8.987 -8.925 -3.383
21 HD2 PRO 509 2HD PRO 509 -11.563 -8.522 -4.130
22 HD3 PRO 509 1HD PRO 509 -10.864 -10.141 -3.928
23 H LYS 510 H LYS 510 -10.740 -8.470 1.362
24 HA LYS 510 HA LYS 510 -12.193 -5.921 1.088
25 HB2 LYS 510 2HB LYS 510 -11.998 -7.417 3.690
26 HB3 LYS 510 1HB LYS 510 -13.098 -6.117 3.254
27 HG2 LYS 510 2HG LYS 510 -14.631 -7.602 2.680
28 HG3 LYS 510 1HG LYS 510 -13.544 -8.263 1.457
29 HD2 LYS 510 2HD LYS 510 -12.473 -9.557 3.403
30 HD3 LYS 510 1HD LYS 510 -13.934 -9.139 4.302
31 HE2 LYS 510 2HE LYS 510 -14.387 -11.248 3.389
32 HE3 LYS 510 1HE LYS 510 -15.221 -10.115 2.325
33 HZ1 LYS 510 3HZ LYS 510 -12.596 -10.513 1.386
34 HZ2 LYS 510 1HZ LYS 510 -14.060 -10.886 0.623
35 HZ3 LYS 510 2HZ LYS 510 -13.318 -12.023 1.631
36 H CYS 511 H CYS 511 -11.021 -4.162 1.526
37 HA CYS 511 HA CYS 511 -9.293 -2.825 2.168
38 HB2 CYS 511 2HB CYS 511 -9.971 -4.408 4.414
39 HB3 CYS 511 1HB CYS 511 -8.213 -4.345 4.359
40 H ASN 512 H ASN 512 -7.863 -3.015 0.500
41 HA ASN 512 HA ASN 512 -6.023 -5.269 0.479
42 HB2 ASN 512 2HB ASN 512 -6.280 -3.106 -1.606
43 HB3 ASN 512 1HB ASN 512 -5.427 -4.635 -1.760
44 HD21 ASN 512 1HD2 ASN 512 -8.631 -3.240 -1.247
45 HD22 ASN 512 2HD2 ASN 512 -9.502 -4.521 -2.008
46 HA PRO 513 HA PRO 513 -2.953 -1.752 1.090
47 HB2 PRO 513 2HB PRO 513 -3.688 0.768 0.455
48 HB3 PRO 513 1HB PRO 513 -3.296 -0.446 -0.766
49 HG2 PRO 513 2HG PRO 513 -5.871 0.756 -0.199
50 HG3 PRO 513 1HG PRO 513 -5.429 -0.344 -1.514
51 HD2 PRO 513 2HD PRO 513 -6.682 -0.949 1.096
52 HD3 PRO 513 1HD PRO 513 -6.740 -1.854 -0.429
53 H ASN 514 H ASN 514 -5.573 -1.937 2.906
54 HA ASN 514 HA ASN 514 -4.693 0.161 4.774
55 HB2 ASN 514 2HB ASN 514 -7.403 -0.565 3.815
56 HB3 ASN 514 1HB ASN 514 -7.258 -0.228 5.538
57 HD21 ASN 514 1HD2 ASN 514 -7.285 1.072 2.364
58 HD22 ASN 514 2HD2 ASN 514 -7.155 2.735 2.805
59 H LEU 515 H LEU 515 -3.347 -1.979 5.048
60 HA LEU 515 HA LEU 515 -4.658 -3.601 7.125
61 HB2 LEU 515 2HB LEU 515 -2.230 -4.689 5.875
62 HB3 LEU 515 1HB LEU 515 -3.720 -5.490 6.320
63 HG LEU 515 HG LEU 515 -3.489 -5.698 3.971
64 HD11 LEU 515 1HD1 LEU 515 -5.364 -3.755 3.378
65 HD12 LEU 515 2HD1 LEU 515 -5.609 -4.080 5.092
66 HD13 LEU 515 3HD1 LEU 515 -5.685 -5.398 3.926
67 HD21 LEU 515 3HD2 LEU 515 -2.140 -3.255 4.132
68 HD22 LEU 515 1HD2 LEU 515 -3.553 -2.947 3.122
69 HD23 LEU 515 2HD2 LEU 515 -2.421 -4.230 2.690
70 H HIS 516 H HIS 516 -1.457 -2.407 6.083
71 HA HIS 516 HA HIS 516 -0.802 -1.296 8.573
72 HB2 HIS 516 2HB HIS 516 0.416 -2.883 9.695
73 HB3 HIS 516 1HB HIS 516 -0.773 -3.923 8.915
74 HD1 HIS 516 1HD HIS 516 0.055 -5.476 7.053
75 HD2 HIS 516 2HD HIS 516 2.984 -2.991 8.613
76 HE1 HIS 516 1HE HIS 516 2.199 -6.242 6.001
77 HE2 HIS 516 2HE HIS 516 3.972 -4.720 6.949
78 H TYR 517 H TYR 517 0.856 -3.142 5.999
79 HA TYR 517 HA TYR 517 3.206 -1.708 5.894
80 HB2 TYR 517 2HB TYR 517 2.563 -2.363 3.196
81 HB3 TYR 517 1HB TYR 517 3.731 -3.116 4.257
82 HD1 TYR 517 1HD TYR 517 -0.034 -3.288 4.472
83 HD2 TYR 517 2HD TYR 517 3.617 -5.330 3.668
84 HE1 TYR 517 1HE TYR 517 -1.258 -5.403 4.296
85 HE2 TYR 517 2HE TYR 517 2.392 -7.452 3.499
86 HH TYR 517 HH TYR 517 -0.863 -7.783 4.480
87 H TRP 518 H TRP 518 0.142 -0.552 5.041
88 HA TRP 518 HA TRP 518 1.372 1.635 3.510
89 HB2 TRP 518 2HB TRP 518 -1.511 0.925 3.159
90 HB3 TRP 518 1HB TRP 518 -0.403 1.636 2.013
91 HD1 TRP 518 HD TRP 518 0.304 -1.709 3.743
92 HE1 TRP 518 1HE TRP 518 0.380 -3.521 1.995
93 HE3 TRP 518 3HE TRP 518 -1.205 1.016 -0.302
94 HZ2 TRP 518 2HZ TRP 518 -0.155 -3.833 -0.756
95 HZ3 TRP 518 3HZ TRP 518 -1.404 -0.134 -2.469
96 HH2 TRP 518 HH TRP 518 -0.886 -2.509 -2.692
97 H THR 519 H THR 519 -1.220 0.672 5.660
98 HA THR 519 HA THR 519 -2.124 3.294 6.274
99 HB THR 519 HB THR 519 -3.574 1.369 6.551
100 HG1 THR 519 1HG THR 519 -4.379 1.900 8.536
101 HG21 THR 519 3HG2 THR 519 -2.704 0.217 8.954
102 HG22 THR 519 1HG2 THR 519 -1.308 0.239 7.874
103 HG23 THR 519 2HG2 THR 519 -2.809 -0.534 7.362
104 H THR 520 H THR 520 0.484 1.362 7.445
105 HA THR 520 HA THR 520 0.698 2.763 9.957
106 HB THR 520 HB THR 520 1.461 0.300 9.284
107 HG1 THR 520 1HG THR 520 2.945 1.855 11.119
108 HG21 THR 520 3HG2 THR 520 3.921 0.154 9.241
109 HG22 THR 520 1HG2 THR 520 3.993 1.892 8.950
110 HG23 THR 520 2HG2 THR 520 3.239 0.829 7.762
111 H GLN 521 H GLN 521 2.787 2.531 7.079
112 HA GLN 521 HA GLN 521 4.088 4.996 7.941
113 HB2 GLN 521 2HB GLN 521 5.942 4.386 6.622
114 HB3 GLN 521 1HB GLN 521 5.414 2.904 7.407
115 HG2 GLN 521 2HG GLN 521 4.584 2.008 5.439
116 HG3 GLN 521 1HG GLN 521 4.503 3.576 4.645
117 HE21 GLN 521 1HE2 GLN 521 6.588 4.646 4.173
118 HE22 GLN 521 2HE2 GLN 521 7.937 3.649 3.759
119 H ASP 522 H ASP 522 5.086 5.657 5.345
120 HA ASP 522 HA ASP 522 2.663 6.883 4.250
121 HB2 ASP 522 2HB ASP 522 5.526 7.662 4.353
122 HB3 ASP 522 1HB ASP 522 4.538 8.268 3.030
123 H GLU 523 H GLU 523 3.389 4.180 3.650
124 HA GLU 523 HA GLU 523 3.775 2.732 1.912
125 HB2 GLU 523 2HB GLU 523 1.913 4.808 1.066
126 HB3 GLU 523 1HB GLU 523 2.728 4.037 -0.290
127 HG2 GLU 523 2HG GLU 523 2.014 1.862 0.505
128 HG3 GLU 523 1HG GLU 523 1.228 2.620 1.888
129 H GLY 524 H GLY 524 6.091 3.231 2.143
130 HA2 GLY 524 2HA GLY 524 8.030 3.285 0.801
131 HA3 GLY 524 1HA GLY 524 7.139 4.218 -0.398
132 H ALA 525 H ALA 525 6.033 5.932 1.793
133 HA ALA 525 HA ALA 525 6.494 7.976 2.641
134 HB1 ALA 525 1HB ALA 525 9.225 7.400 3.455
135 HB2 ALA 525 2HB ALA 525 8.053 6.179 3.955
136 HB3 ALA 525 3HB ALA 525 7.826 7.863 4.427
137 H ALA 526 H ALA 526 7.779 7.132 -0.131
138 HA ALA 526 HA ALA 526 9.128 8.080 -1.694
139 HB1 ALA 526 1HB ALA 526 8.609 10.784 -0.604
140 HB2 ALA 526 2HB ALA 526 7.210 9.813 -1.063
141 HB3 ALA 526 3HB ALA 526 8.459 10.179 -2.254
142 H ILE 527 H ILE 527 10.183 7.640 1.166
143 HA ILE 527 HA ILE 527 12.070 9.524 1.859
144 HB ILE 527 HB ILE 527 13.405 7.316 2.569
145 HG12 ILE 527 2HG1 ILE 527 11.955 5.469 3.055
146 HG13 ILE 527 1HG1 ILE 527 10.544 6.361 2.502
147 HG21 ILE 527 1HG2 ILE 527 11.036 7.720 4.236
148 HG22 ILE 527 2HG2 ILE 527 11.910 9.193 3.818
149 HG23 ILE 527 3HG2 ILE 527 12.747 7.873 4.634
150 HD11 ILE 527 3HD1 ILE 527 11.632 4.550 0.995
151 HD12 ILE 527 1HD1 ILE 527 12.782 5.830 0.610
152 HD13 ILE 527 2HD1 ILE 527 11.064 6.061 0.286
153 H GLY 528 H GLY 528 12.105 7.332 -0.818
154 HA2 GLY 528 2HA GLY 528 13.976 8.552 -2.336
155 HA3 GLY 528 1HA GLY 528 14.960 7.574 -1.262
156 H LEU 529 H LEU 529 13.677 5.249 -1.066
157 HA LEU 529 HA LEU 529 13.133 3.281 -2.071
158 HB2 LEU 529 2HB LEU 529 12.596 5.050 -4.435
159 HB3 LEU 529 1HB LEU 529 12.387 3.314 -4.477
160 HG LEU 529 HG LEU 529 10.611 3.400 -2.889
161 HD11 LEU 529 1HD1 LEU 529 9.867 5.555 -1.907
162 HD12 LEU 529 2HD1 LEU 529 11.326 6.305 -2.558
163 HD13 LEU 529 3HD1 LEU 529 11.455 5.026 -1.352
164 HD21 LEU 529 3HD2 LEU 529 9.144 5.252 -4.027
165 HD22 LEU 529 1HD2 LEU 529 9.646 3.820 -4.925
166 HD23 LEU 529 2HD2 LEU 529 10.506 5.344 -5.143
167 H ALA 530 H ALA 530 15.531 5.352 -3.351
168 HA ALA 530 HA ALA 530 16.732 3.338 -5.000
169 HB1 ALA 530 1HB ALA 530 16.927 5.758 -5.514
170 HB2 ALA 530 2HB ALA 530 18.486 4.938 -5.423
171 HB3 ALA 530 3HB ALA 530 17.938 5.944 -4.082
172 H TRP 531 H TRP 531 16.947 4.377 -1.747
173 HA TRP 531 HA TRP 531 19.476 3.410 -1.011
174 HB2 TRP 531 2HB TRP 531 18.561 3.476 1.296
175 HB3 TRP 531 1HB TRP 531 18.186 4.943 0.398
176 HD1 TRP 531 HD TRP 531 15.614 4.654 -0.926
177 HE1 TRP 531 1HE TRP 531 13.447 3.969 0.216
178 HE3 TRP 531 3HE TRP 531 17.564 2.360 3.204
179 HZ2 TRP 531 2HZ TRP 531 12.625 2.646 2.572
180 HZ3 TRP 531 3HZ TRP 531 16.010 1.413 4.862
181 HH2 TRP 531 HH TRP 531 13.592 1.554 4.552
182 H ILE 532 H ILE 532 16.598 1.803 -1.860
183 HA ILE 532 HA ILE 532 17.628 -0.717 -0.790
184 HB ILE 532 HB ILE 532 15.199 -1.404 -0.697
185 HG12 ILE 532 2HG1 ILE 532 14.916 1.545 -1.222
186 HG13 ILE 532 1HG1 ILE 532 14.061 0.212 -1.982
187 HG21 ILE 532 1HG2 ILE 532 16.234 0.786 1.093
188 HG22 ILE 532 2HG2 ILE 532 16.484 -0.951 1.292
189 HG23 ILE 532 3HG2 ILE 532 14.871 -0.265 1.489
190 HD11 ILE 532 3HD1 ILE 532 12.394 0.426 -0.547
191 HD12 ILE 532 1HD1 ILE 532 13.199 1.846 0.115
192 HD13 ILE 532 2HD1 ILE 532 13.489 0.256 0.824
193 HA PRO 533 HA PRO 533 17.377 -1.879 -5.078
194 HB2 PRO 533 2HB PRO 533 18.150 -4.553 -4.488
195 HB3 PRO 533 1HB PRO 533 19.180 -3.224 -5.016
196 HG2 PRO 533 2HG PRO 533 19.269 -4.445 -2.519
197 HG3 PRO 533 1HG PRO 533 19.961 -2.864 -2.919
198 HD2 PRO 533 2HD PRO 533 17.391 -3.524 -1.552
199 HD3 PRO 533 1HD PRO 533 18.510 -2.172 -1.274
200 H TYR 534 H TYR 534 15.561 -3.569 -2.602
201 HA TYR 534 HA TYR 534 13.656 -4.357 -4.667
202 HB2 TYR 534 2HB TYR 534 13.488 -6.659 -3.814
203 HB3 TYR 534 1HB TYR 534 15.084 -6.304 -4.465
204 HD1 TYR 534 1HD TYR 534 13.235 -6.310 -1.220
205 HD2 TYR 534 2HD TYR 534 16.949 -6.874 -3.217
206 HE1 TYR 534 1HE TYR 534 14.251 -7.055 0.892
207 HE2 TYR 534 2HE TYR 534 17.975 -7.620 -1.111
208 HH TYR 534 HH TYR 534 17.350 -7.126 1.519
209 H PHE 535 H PHE 535 14.015 -2.789 -1.863
210 HA PHE 535 HA PHE 535 11.687 -3.866 -0.496
211 HB2 PHE 535 2HB PHE 535 13.440 -1.495 0.133
212 HB3 PHE 535 1HB PHE 535 12.116 -2.042 1.146
213 HD1 PHE 535 2HD PHE 535 15.246 -3.311 -0.424
214 HD2 PHE 535 1HD PHE 535 12.588 -3.443 2.893
215 HE1 PHE 535 2HE PHE 535 16.801 -4.798 0.756
216 HE2 PHE 535 1HE PHE 535 14.139 -4.930 4.081
217 HZ PHE 535 HZ PHE 535 16.251 -5.616 3.013
218 H GLY 536 H GLY 536 12.623 -0.996 -2.302
219 HA2 GLY 536 2HA GLY 536 9.824 -0.072 -2.229
220 HA3 GLY 536 1HA GLY 536 11.213 0.970 -2.486
221 HA PRO 537 HA PRO 537 11.206 0.616 -6.880
222 HB2 PRO 537 2HB PRO 537 13.523 -1.251 -6.914
223 HB3 PRO 537 1HB PRO 537 13.310 0.293 -7.747
224 HG2 PRO 537 2HG PRO 537 14.897 0.090 -5.609
225 HG3 PRO 537 1HG PRO 537 13.902 1.532 -5.880
226 HD2 PRO 537 2HD PRO 537 13.503 -0.723 -3.972
227 HD3 PRO 537 1HD PRO 537 13.132 1.002 -3.775
228 H ALA 538 H ALA 538 11.857 -2.459 -5.273
229 HA ALA 538 HA ALA 538 10.480 -3.941 -7.380
230 HB1 ALA 538 1HB ALA 538 11.287 -5.927 -6.305
231 HB2 ALA 538 2HB ALA 538 11.789 -5.010 -4.884
232 HB3 ALA 538 3HB ALA 538 12.619 -4.778 -6.423
233 H ALA 539 H ALA 539 9.836 -2.551 -4.326
234 HA ALA 539 HA ALA 539 8.018 -4.206 -3.120
235 HB1 ALA 539 1HB ALA 539 8.760 -1.488 -2.928
236 HB2 ALA 539 2HB ALA 539 7.901 -2.472 -1.746
237 HB3 ALA 539 3HB ALA 539 6.998 -1.551 -2.948
238 H GLU 540 H GLU 540 6.756 -1.402 -4.881
239 HA GLU 540 HA GLU 540 5.096 -1.162 -6.408
240 HB2 GLU 540 2HB GLU 540 4.921 -4.160 -6.517
241 HB3 GLU 540 1HB GLU 540 4.312 -3.017 -7.701
242 HG2 GLU 540 2HG GLU 540 6.725 -2.291 -8.007
243 HG3 GLU 540 1HG GLU 540 7.155 -3.739 -7.099
244 H GLY 541 H GLY 541 4.489 -3.752 -4.049
245 HA2 GLY 541 2HA GLY 541 1.735 -2.729 -3.778
246 HA3 GLY 541 1HA GLY 541 2.233 -4.370 -3.392
247 H ILE 542 H ILE 542 4.031 -1.500 -2.491
248 HA ILE 542 HA ILE 542 3.033 -1.577 0.237
249 HB ILE 542 HB ILE 542 5.996 -1.697 -0.038
250 HG12 ILE 542 2HG1 ILE 542 5.801 -4.223 0.362
251 HG13 ILE 542 1HG1 ILE 542 4.157 -4.076 -0.247
252 HG21 ILE 542 1HG2 ILE 542 5.975 -2.170 2.188
253 HG22 ILE 542 2HG2 ILE 542 4.462 -3.072 2.096
254 HG23 ILE 542 3HG2 ILE 542 4.440 -1.309 2.073
255 HD11 ILE 542 3HD1 ILE 542 5.644 -2.781 -2.160
256 HD12 ILE 542 1HD1 ILE 542 5.045 -4.438 -2.253
257 HD13 ILE 542 2HD1 ILE 542 6.682 -4.123 -1.676
258 H TYR 543 H TYR 543 5.114 -0.198 -2.223
259 HA TYR 543 HA TYR 543 5.390 2.264 -0.726
260 HB2 TYR 543 2HB TYR 543 7.318 2.543 -1.865
261 HB3 TYR 543 1HB TYR 543 7.163 0.825 -2.161
262 HD1 TYR 543 2HD TYR 543 5.751 0.218 -4.314
263 HD2 TYR 543 1HD TYR 543 7.724 3.926 -3.665
264 HE1 TYR 543 2HE TYR 543 5.779 0.621 -6.736
265 HE2 TYR 543 1HE TYR 543 7.765 4.340 -6.085
266 HH TYR 543 HH TYR 543 7.110 1.949 -8.371
267 H ILE 544 H ILE 544 4.015 0.992 -3.696
268 HA ILE 544 HA ILE 544 2.793 1.935 -5.389
269 HB ILE 544 HB ILE 544 1.274 3.142 -3.094
270 HG12 ILE 544 2HG1 ILE 544 0.021 0.971 -3.072
271 HG13 ILE 544 1HG1 ILE 544 1.283 0.293 -4.095
272 HG21 ILE 544 1HG2 ILE 544 0.294 3.862 -5.068
273 HG22 ILE 544 2HG2 ILE 544 -0.644 2.425 -4.663
274 HG23 ILE 544 3HG2 ILE 544 0.613 2.340 -5.897
275 HD11 ILE 544 3HD1 ILE 544 2.160 1.590 -1.594
276 HD12 ILE 544 1HD1 ILE 544 2.753 0.134 -2.393
277 HD13 ILE 544 2HD1 ILE 544 1.272 0.074 -1.440
278 H GLU 545 H GLU 545 2.495 4.488 -2.974
279 HA GLU 545 HA GLU 545 2.872 6.723 -3.025
280 HB2 GLU 545 2HB GLU 545 4.674 6.197 -5.385
281 HB3 GLU 545 1HB GLU 545 4.734 7.559 -4.269
282 HG2 GLU 545 2HG GLU 545 5.144 5.834 -2.451
283 HG3 GLU 545 1HG GLU 545 5.460 4.698 -3.760
284 H GLY 546 H GLY 546 0.742 7.100 -3.593
285 HA2 GLY 546 2HA GLY 546 0.164 8.850 -5.565
286 HA3 GLY 546 1HA GLY 546 -0.042 7.297 -6.363
287 H LEU 547 H LEU 547 -0.865 6.290 -3.532
288 HA LEU 547 HA LEU 547 -3.599 7.402 -3.563
289 HB2 LEU 547 2HB LEU 547 -4.602 5.317 -3.521
290 HB3 LEU 547 1HB LEU 547 -3.291 5.099 -4.664
291 HG LEU 547 HG LEU 547 -3.297 4.195 -1.782
292 HD11 LEU 547 1HD1 LEU 547 -4.594 3.014 -3.822
293 HD12 LEU 547 2HD1 LEU 547 -3.868 2.130 -2.480
294 HD13 LEU 547 3HD1 LEU 547 -2.999 2.286 -4.007
295 HD21 LEU 547 3HD2 LEU 547 -1.173 4.384 -3.841
296 HD22 LEU 547 1HD2 LEU 547 -1.208 2.937 -2.834
297 HD23 LEU 547 2HD2 LEU 547 -1.070 4.529 -2.087
298 H MET 548 H MET 548 -0.882 6.579 -1.746
299 HA MET 548 HA MET 548 -2.098 5.985 0.736
300 HB2 MET 548 2HB MET 548 0.256 6.805 1.603
301 HB3 MET 548 1HB MET 548 0.072 5.268 0.783
302 HG2 MET 548 2HG MET 548 2.025 6.308 -0.056
303 HG3 MET 548 1HG MET 548 0.819 6.390 -1.327
304 HE1 MET 548 3HE MET 548 1.328 8.828 -2.796
305 HE2 MET 548 1HE MET 548 0.217 9.947 -2.006
306 HE3 MET 548 2HE MET 548 -0.234 8.255 -2.212
307 H HIS 549 H HIS 549 -3.711 7.771 0.491
308 HA HIS 549 HA HIS 549 -2.658 10.234 1.722
309 HB2 HIS 549 2HB HIS 549 -5.226 10.271 0.203
310 HB3 HIS 549 1HB HIS 549 -4.044 11.553 0.434
311 HD1 HIS 549 1HD HIS 549 -5.365 10.203 -2.287
312 HD2 HIS 549 2HD HIS 549 -1.451 10.033 -0.907
313 HE1 HIS 549 1HE HIS 549 -3.963 9.705 -4.311
314 HE2 HIS 549 2HE HIS 549 -1.585 9.763 -3.476
315 H ASN 550 H ASN 550 -5.615 8.289 1.361
316 HA ASN 550 HA ASN 550 -6.076 7.956 4.096
317 HB2 ASN 550 2HB ASN 550 -6.476 10.398 4.072
318 HB3 ASN 550 1HB ASN 550 -7.736 10.167 2.864
319 HD21 ASN 550 1HD2 ASN 550 -6.785 9.090 6.100
320 HD22 ASN 550 2HD2 ASN 550 -8.390 9.006 6.732
321 H GLN 551 H GLN 551 -7.976 8.742 1.197
322 HA GLN 551 HA GLN 551 -9.972 7.769 0.500
323 HB2 GLN 551 2HB GLN 551 -9.155 5.330 -0.343
324 HB3 GLN 551 1HB GLN 551 -8.835 6.831 -1.190
325 HG2 GLN 551 2HG GLN 551 -6.659 6.495 -1.015
326 HG3 GLN 551 1HG GLN 551 -6.777 6.436 0.739
327 HE21 GLN 551 1HE2 GLN 551 -6.584 4.525 1.767
328 HE22 GLN 551 2HE2 GLN 551 -6.347 3.008 0.977
329 H ASP 552 H ASP 552 -8.702 4.674 1.469
330 HA ASP 552 HA ASP 552 -9.500 3.030 2.818
331 HB2 ASP 552 2HB ASP 552 -10.202 5.510 4.286
332 HB3 ASP 552 1HB ASP 552 -11.050 4.047 4.776
333 H GLY 553 H GLY 553 -11.159 4.392 0.593
334 HA2 GLY 553 2HA GLY 553 -13.682 3.011 1.257
335 HA3 GLY 553 1HA GLY 553 -13.667 4.561 0.427
336 H LEU 554 H LEU 554 -11.280 3.821 -1.126
337 HA LEU 554 HA LEU 554 -12.630 2.516 -3.310
338 HB2 LEU 554 2HB LEU 554 -10.548 2.966 -4.529
339 HB3 LEU 554 1HB LEU 554 -11.183 4.400 -3.746
340 HG LEU 554 HG LEU 554 -9.440 3.440 -1.843
341 HD11 LEU 554 1HD1 LEU 554 -7.586 2.494 -2.748
342 HD12 LEU 554 2HD1 LEU 554 -7.800 3.288 -4.308
343 HD13 LEU 554 3HD1 LEU 554 -8.774 1.877 -3.895
344 HD21 LEU 554 3HD2 LEU 554 -8.795 5.375 -4.070
345 HD22 LEU 554 1HD2 LEU 554 -8.034 5.300 -2.481
346 HD23 LEU 554 2HD2 LEU 554 -9.728 5.766 -2.626
347 H ILE 555 H ILE 555 -11.219 1.319 -0.638
348 HA ILE 555 HA ILE 555 -10.515 -1.193 -1.950
349 HB ILE 555 HB ILE 555 -8.563 -1.464 -0.465
350 HG12 ILE 555 2HG1 ILE 555 -9.227 0.110 1.308
351 HG13 ILE 555 1HG1 ILE 555 -7.622 0.462 0.700
352 HG21 ILE 555 1HG2 ILE 555 -7.408 -0.799 -2.227
353 HG22 ILE 555 2HG2 ILE 555 -7.534 0.872 -1.672
354 HG23 ILE 555 3HG2 ILE 555 -8.759 0.208 -2.754
355 HD11 ILE 555 3HD1 ILE 555 -10.014 2.101 0.681
356 HD12 ILE 555 1HD1 ILE 555 -9.162 2.056 -0.860
357 HD13 ILE 555 2HD1 ILE 555 -8.315 2.558 0.600
358 H CYS 556 H CYS 556 -11.118 0.542 1.063
359 HA CYS 556 HA CYS 556 -12.070 -1.946 2.268
360 HB2 CYS 556 2HB CYS 556 -10.283 -0.133 3.254
361 HB3 CYS 556 1HB CYS 556 -11.782 0.424 3.993
362 H GLY 557 H GLY 557 -14.175 -2.104 1.655
363 HA2 GLY 557 2HA GLY 557 -15.955 0.038 2.612
364 HA3 GLY 557 1HA GLY 557 -16.147 -0.592 0.982
365 H LEU 558 H LEU 558 -16.408 -3.042 0.877
366 HA LEU 558 HA LEU 558 -17.816 -4.091 3.214
367 HB2 LEU 558 2HB LEU 558 -19.682 -4.860 1.877
368 HB3 LEU 558 1HB LEU 558 -19.523 -3.120 1.759
369 HG LEU 558 HG LEU 558 -18.554 -5.057 -0.343
370 HD11 LEU 558 1HD1 LEU 558 -20.534 -4.939 -1.408
371 HD12 LEU 558 2HD1 LEU 558 -20.846 -3.287 -0.874
372 HD13 LEU 558 3HD1 LEU 558 -21.147 -4.639 0.218
373 HD21 LEU 558 3HD2 LEU 558 -18.910 -2.638 -1.539
374 HD22 LEU 558 1HD2 LEU 558 -17.366 -3.249 -0.946
375 HD23 LEU 558 2HD2 LEU 558 -18.326 -2.161 0.055
376 H ARG 559 H ARG 559 -16.619 -4.833 -0.063
377 HA ARG 559 HA ARG 559 -14.985 -6.945 0.714
378 HB2 ARG 559 2HB ARG 559 -16.269 -8.903 0.023
379 HB3 ARG 559 1HB ARG 559 -17.098 -8.063 1.327
380 HG2 ARG 559 2HG ARG 559 -17.898 -7.110 -1.292
381 HG3 ARG 559 1HG ARG 559 -18.200 -8.838 -1.075
382 HD2 ARG 559 2HD ARG 559 -19.110 -6.635 0.777
383 HD3 ARG 559 1HD ARG 559 -20.124 -7.479 -0.393
384 HE ARG 559 HE ARG 559 -18.826 -9.222 1.491
385 HH11 ARG 559 1HH1 ARG 559 -21.623 -7.221 0.897
386 HH12 ARG 559 2HH1 ARG 559 -22.628 -8.078 2.017
387 HH21 ARG 559 1HH2 ARG 559 -20.146 -10.349 2.964
388 HH22 ARG 559 2HH2 ARG 559 -21.790 -9.854 3.191
389 H GLN 560 H GLN 560 -14.956 -4.816 -1.104
390 HA GLN 560 HA GLN 560 -14.947 -6.141 -3.718
391 HB2 GLN 560 2HB GLN 560 -15.159 -4.045 -4.737
392 HB3 GLN 560 1HB GLN 560 -16.198 -3.944 -3.325
393 HG2 GLN 560 2HG GLN 560 -13.438 -3.013 -2.915
394 HG3 GLN 560 1HG GLN 560 -14.401 -2.064 -4.045
395 HE21 GLN 560 1HE2 GLN 560 -14.136 -3.206 -0.761
396 HE22 GLN 560 2HE2 GLN 560 -15.217 -2.053 -0.068
Start of MODEL 9
1 H1 ALA 507 1HT ALA 507 -8.202 -8.709 -5.649
2 H2 ALA 507 2HT ALA 507 -7.550 -10.049 -6.501
3 H3 ALA 507 3HT ALA 507 -8.283 -10.278 -4.966
4 HA ALA 507 HA ALA 507 -9.492 -9.738 -7.562
5 HB1 ALA 507 1HB ALA 507 -11.048 -11.510 -6.711
6 HB2 ALA 507 2HB ALA 507 -9.986 -11.678 -5.312
7 HB3 ALA 507 3HB ALA 507 -9.376 -12.029 -6.930
8 H GLN 508 H GLN 508 -10.820 -10.142 -4.292
9 HA GLN 508 HA GLN 508 -11.973 -7.494 -4.317
10 HB2 GLN 508 2HB GLN 508 -14.309 -8.434 -3.988
11 HB3 GLN 508 1HB GLN 508 -13.664 -8.509 -5.622
12 HG2 GLN 508 2HG GLN 508 -14.370 -10.627 -5.556
13 HG3 GLN 508 1HG GLN 508 -12.880 -10.911 -4.659
14 HE21 GLN 508 1HE2 GLN 508 -16.215 -9.838 -4.092
15 HE22 GLN 508 2HE2 GLN 508 -16.433 -10.727 -2.627
16 HA PRO 509 HA PRO 509 -11.331 -9.515 -0.123
17 HB2 PRO 509 2HB PRO 509 -8.939 -8.574 0.590
18 HB3 PRO 509 1HB PRO 509 -9.081 -9.980 -0.474
19 HG2 PRO 509 2HG PRO 509 -8.490 -7.131 -1.170
20 HG3 PRO 509 1HG PRO 509 -7.753 -8.614 -1.803
21 HD2 PRO 509 2HD PRO 509 -9.749 -7.187 -3.074
22 HD3 PRO 509 1HD PRO 509 -9.403 -8.905 -3.351
23 H LYS 510 H LYS 510 -11.596 -8.486 1.885
24 HA LYS 510 HA LYS 510 -12.648 -5.838 1.778
25 HB2 LYS 510 2HB LYS 510 -11.969 -7.492 4.216
26 HB3 LYS 510 1HB LYS 510 -13.035 -6.095 4.165
27 HG2 LYS 510 2HG LYS 510 -14.697 -7.550 3.930
28 HG3 LYS 510 1HG LYS 510 -14.122 -7.777 2.278
29 HD2 LYS 510 2HD LYS 510 -12.551 -9.542 3.264
30 HD3 LYS 510 1HD LYS 510 -13.560 -9.452 4.708
31 HE2 LYS 510 2HE LYS 510 -15.478 -9.739 2.873
32 HE3 LYS 510 1HE LYS 510 -14.164 -10.556 2.027
33 HZ1 LYS 510 3HZ LYS 510 -15.152 -12.241 3.233
34 HZ2 LYS 510 1HZ LYS 510 -15.436 -11.269 4.588
35 HZ3 LYS 510 2HZ LYS 510 -13.867 -11.796 4.239
36 H CYS 511 H CYS 511 -11.445 -4.061 1.683
37 HA CYS 511 HA CYS 511 -9.778 -2.552 2.031
38 HB2 CYS 511 2HB CYS 511 -9.007 -4.095 4.501
39 HB3 CYS 511 1HB CYS 511 -8.863 -2.367 4.203
40 H ASN 512 H ASN 512 -8.251 -2.738 0.527
41 HA ASN 512 HA ASN 512 -6.489 -5.032 0.507
42 HB2 ASN 512 2HB ASN 512 -6.487 -2.777 -1.485
43 HB3 ASN 512 1HB ASN 512 -5.839 -4.398 -1.684
44 HD21 ASN 512 1HD2 ASN 512 -8.878 -2.670 -1.083
45 HD22 ASN 512 2HD2 ASN 512 -9.876 -3.778 -1.952
46 HA PRO 513 HA PRO 513 -3.296 -1.698 1.404
47 HB2 PRO 513 2HB PRO 513 -3.845 0.858 0.785
48 HB3 PRO 513 1HB PRO 513 -3.515 -0.357 -0.452
49 HG2 PRO 513 2HG PRO 513 -6.020 0.995 0.124
50 HG3 PRO 513 1HG PRO 513 -5.609 -0.044 -1.246
51 HD2 PRO 513 2HD PRO 513 -6.982 -0.732 1.273
52 HD3 PRO 513 1HD PRO 513 -7.006 -1.562 -0.293
53 H ASN 514 H ASN 514 -5.907 -1.924 3.118
54 HA ASN 514 HA ASN 514 -5.193 0.198 5.030
55 HB2 ASN 514 2HB ASN 514 -7.801 -0.705 4.012
56 HB3 ASN 514 1HB ASN 514 -7.725 -0.585 5.769
57 HD21 ASN 514 1HD2 ASN 514 -7.374 1.176 2.758
58 HD22 ASN 514 2HD2 ASN 514 -7.587 2.748 3.437
59 H LEU 515 H LEU 515 -3.673 -1.912 5.114
60 HA LEU 515 HA LEU 515 -4.753 -3.693 7.182
61 HB2 LEU 515 2HB LEU 515 -2.191 -4.355 5.875
62 HB3 LEU 515 1HB LEU 515 -3.511 -5.400 6.351
63 HG LEU 515 HG LEU 515 -3.426 -5.564 4.019
64 HD11 LEU 515 1HD1 LEU 515 -5.447 -3.712 3.509
65 HD12 LEU 515 2HD1 LEU 515 -5.636 -4.153 5.204
66 HD13 LEU 515 3HD1 LEU 515 -5.633 -5.404 3.964
67 HD21 LEU 515 3HD2 LEU 515 -2.268 -3.012 4.135
68 HD22 LEU 515 1HD2 LEU 515 -3.712 -2.848 3.135
69 HD23 LEU 515 2HD2 LEU 515 -2.478 -4.036 2.714
70 H HIS 516 H HIS 516 -1.656 -2.160 6.254
71 HA HIS 516 HA HIS 516 -1.217 -1.014 8.785
72 HB2 HIS 516 2HB HIS 516 0.165 -2.470 9.909
73 HB3 HIS 516 1HB HIS 516 -0.927 -3.605 9.123
74 HD1 HIS 516 1HD HIS 516 0.038 -5.050 7.221
75 HD2 HIS 516 2HD HIS 516 2.763 -2.421 8.911
76 HE1 HIS 516 1HE HIS 516 2.263 -5.685 6.248
77 HE2 HIS 516 2HE HIS 516 3.904 -4.063 7.263
78 H TYR 517 H TYR 517 0.721 -2.615 6.250
79 HA TYR 517 HA TYR 517 2.870 -0.877 6.267
80 HB2 TYR 517 2HB TYR 517 2.629 -1.649 3.579
81 HB3 TYR 517 1HB TYR 517 3.669 -2.334 4.807
82 HD1 TYR 517 1HD TYR 517 -0.066 -2.765 4.670
83 HD2 TYR 517 2HD TYR 517 3.765 -4.517 4.028
84 HE1 TYR 517 1HE TYR 517 -1.121 -4.951 4.336
85 HE2 TYR 517 2HE TYR 517 2.707 -6.709 3.699
86 HH TYR 517 HH TYR 517 -0.237 -7.233 2.929
87 H TRP 518 H TRP 518 -0.267 -0.185 5.138
88 HA TRP 518 HA TRP 518 0.797 2.127 3.650
89 HB2 TRP 518 2HB TRP 518 -1.949 1.092 3.115
90 HB3 TRP 518 1HB TRP 518 -0.843 1.910 2.041
91 HD1 TRP 518 HD TRP 518 0.305 -1.245 3.832
92 HE1 TRP 518 1HE TRP 518 0.592 -3.095 2.140
93 HE3 TRP 518 3HE TRP 518 -1.677 1.093 -0.246
94 HZ2 TRP 518 2HZ TRP 518 0.023 -3.576 -0.578
95 HZ3 TRP 518 3HZ TRP 518 -1.771 -0.149 -2.369
96 HH2 TRP 518 HH TRP 518 -0.931 -2.435 -2.533
97 H THR 519 H THR 519 -1.479 0.972 5.985
98 HA THR 519 HA THR 519 -2.918 3.438 6.253
99 HB THR 519 HB THR 519 -4.080 1.420 6.791
100 HG1 THR 519 1HG THR 519 -4.672 3.064 8.164
101 HG21 THR 519 3HG2 THR 519 -1.618 0.606 7.942
102 HG22 THR 519 1HG2 THR 519 -3.083 -0.340 7.670
103 HG23 THR 519 2HG2 THR 519 -2.870 0.537 9.185
104 H THR 520 H THR 520 0.004 2.162 7.506
105 HA THR 520 HA THR 520 0.026 4.008 9.767
106 HB THR 520 HB THR 520 1.437 1.537 9.061
107 HG1 THR 520 1HG THR 520 1.470 1.386 11.336
108 HG21 THR 520 3HG2 THR 520 3.003 3.825 10.196
109 HG22 THR 520 1HG2 THR 520 3.459 2.691 8.923
110 HG23 THR 520 2HG2 THR 520 3.379 2.151 10.603
111 H GLN 521 H GLN 521 2.430 3.122 7.304
112 HA GLN 521 HA GLN 521 3.378 5.882 7.356
113 HB2 GLN 521 2HB GLN 521 5.452 5.090 6.576
114 HB3 GLN 521 1HB GLN 521 4.919 3.911 7.765
115 HG2 GLN 521 2HG GLN 521 4.501 2.294 6.172
116 HG3 GLN 521 1HG GLN 521 4.376 3.468 4.866
117 HE21 GLN 521 1HE2 GLN 521 6.427 4.724 4.435
118 HE22 GLN 521 2HE2 GLN 521 7.907 3.834 4.471
119 H ASP 522 H ASP 522 4.733 5.697 4.838
120 HA ASP 522 HA ASP 522 2.468 6.281 3.088
121 HB2 ASP 522 2HB ASP 522 4.752 7.671 3.611
122 HB3 ASP 522 1HB ASP 522 5.167 6.847 2.115
123 H GLU 523 H GLU 523 3.181 3.571 3.600
124 HA GLU 523 HA GLU 523 3.522 1.583 2.529
125 HB2 GLU 523 2HB GLU 523 3.015 3.242 0.056
126 HB3 GLU 523 1HB GLU 523 2.906 1.487 0.171
127 HG2 GLU 523 2HG GLU 523 1.113 1.685 1.766
128 HG3 GLU 523 1HG GLU 523 1.231 3.440 1.706
129 H GLY 524 H GLY 524 5.736 3.231 3.112
130 HA2 GLY 524 2HA GLY 524 8.031 2.953 2.835
131 HA3 GLY 524 1HA GLY 524 7.702 1.937 1.439
132 H ALA 525 H ALA 525 6.368 5.155 1.858
133 HA ALA 525 HA ALA 525 8.081 6.027 -0.364
134 HB1 ALA 525 1HB ALA 525 5.257 6.886 0.207
135 HB2 ALA 525 2HB ALA 525 5.762 5.761 -1.052
136 HB3 ALA 525 3HB ALA 525 6.262 7.450 -1.127
137 H ALA 526 H ALA 526 7.744 6.470 2.840
138 HA ALA 526 HA ALA 526 8.047 9.327 2.826
139 HB1 ALA 526 1HB ALA 526 8.370 8.715 5.410
140 HB2 ALA 526 2HB ALA 526 7.467 7.297 4.878
141 HB3 ALA 526 3HB ALA 526 6.788 8.909 4.655
142 H ILE 527 H ILE 527 10.075 7.313 1.790
143 HA ILE 527 HA ILE 527 12.367 8.305 3.337
144 HB ILE 527 HB ILE 527 12.983 5.884 1.889
145 HG12 ILE 527 2HG1 ILE 527 11.630 4.429 3.532
146 HG13 ILE 527 1HG1 ILE 527 10.613 5.839 3.751
147 HG21 ILE 527 1HG2 ILE 527 14.483 6.314 3.536
148 HG22 ILE 527 2HG2 ILE 527 13.404 5.249 4.437
149 HG23 ILE 527 3HG2 ILE 527 13.269 6.998 4.617
150 HD11 ILE 527 3HD1 ILE 527 9.531 5.432 1.872
151 HD12 ILE 527 1HD1 ILE 527 10.367 3.881 1.812
152 HD13 ILE 527 2HD1 ILE 527 11.031 5.273 0.959
153 H GLY 528 H GLY 528 11.469 6.977 0.114
154 HA2 GLY 528 2HA GLY 528 12.139 8.929 -1.551
155 HA3 GLY 528 1HA GLY 528 13.735 8.396 -1.053
156 H LEU 529 H LEU 529 12.463 5.593 -0.839
157 HA LEU 529 HA LEU 529 12.163 3.736 -2.126
158 HB2 LEU 529 2HB LEU 529 11.600 5.833 -4.180
159 HB3 LEU 529 1HB LEU 529 11.678 4.140 -4.624
160 HG LEU 529 HG LEU 529 9.818 3.618 -3.193
161 HD11 LEU 529 1HD1 LEU 529 8.665 5.750 -2.163
162 HD12 LEU 529 2HD1 LEU 529 10.320 6.361 -2.166
163 HD13 LEU 529 3HD1 LEU 529 9.930 4.880 -1.293
164 HD21 LEU 529 3HD2 LEU 529 8.625 6.017 -4.325
165 HD22 LEU 529 1HD2 LEU 529 8.335 4.321 -4.708
166 HD23 LEU 529 2HD2 LEU 529 9.676 5.177 -5.466
167 H ALA 530 H ALA 530 14.444 6.125 -3.079
168 HA ALA 530 HA ALA 530 15.905 4.361 -4.800
169 HB1 ALA 530 1HB ALA 530 16.498 7.102 -3.718
170 HB2 ALA 530 2HB ALA 530 16.067 6.646 -5.367
171 HB3 ALA 530 3HB ALA 530 17.646 6.207 -4.714
172 H TRP 531 H TRP 531 15.871 5.111 -1.472
173 HA TRP 531 HA TRP 531 18.461 4.388 -0.680
174 HB2 TRP 531 2HB TRP 531 17.428 4.097 1.562
175 HB3 TRP 531 1HB TRP 531 16.919 5.595 0.789
176 HD1 TRP 531 HD TRP 531 14.481 5.201 -0.687
177 HE1 TRP 531 1HE TRP 531 12.358 4.116 0.196
178 HE3 TRP 531 3HE TRP 531 16.486 2.593 3.221
179 HZ2 TRP 531 2HZ TRP 531 11.588 2.380 2.303
180 HZ3 TRP 531 3HZ TRP 531 14.982 1.247 4.630
181 HH2 TRP 531 HH TRP 531 12.584 1.144 4.179
182 H ILE 532 H ILE 532 15.871 2.518 -1.859
183 HA ILE 532 HA ILE 532 17.164 0.053 -0.944
184 HB ILE 532 HB ILE 532 14.850 -0.944 -1.072
185 HG12 ILE 532 2HG1 ILE 532 14.207 1.968 -1.435
186 HG13 ILE 532 1HG1 ILE 532 13.556 0.583 -2.293
187 HG21 ILE 532 1HG2 ILE 532 14.224 0.014 1.164
188 HG22 ILE 532 2HG2 ILE 532 15.533 1.177 0.945
189 HG23 ILE 532 3HG2 ILE 532 15.892 -0.547 1.038
190 HD11 ILE 532 3HD1 ILE 532 12.871 0.443 0.491
191 HD12 ILE 532 1HD1 ILE 532 11.824 0.500 -0.924
192 HD13 ILE 532 2HD1 ILE 532 12.396 1.997 -0.195
193 HA PRO 533 HA PRO 533 17.243 -0.830 -5.295
194 HB2 PRO 533 2HB PRO 533 18.433 -3.207 -5.208
195 HB3 PRO 533 1HB PRO 533 19.281 -1.747 -4.686
196 HG2 PRO 533 2HG PRO 533 18.024 -3.897 -3.046
197 HG3 PRO 533 1HG PRO 533 19.513 -2.984 -2.751
198 HD2 PRO 533 2HD PRO 533 17.007 -2.467 -1.609
199 HD3 PRO 533 1HD PRO 533 18.394 -1.362 -1.625
200 H TYR 534 H TYR 534 15.470 -2.855 -3.061
201 HA TYR 534 HA TYR 534 13.787 -3.719 -5.278
202 HB2 TYR 534 2HB TYR 534 13.873 -6.087 -4.594
203 HB3 TYR 534 1HB TYR 534 15.433 -5.490 -5.152
204 HD1 TYR 534 1HD TYR 534 13.489 -5.993 -2.006
205 HD2 TYR 534 2HD TYR 534 17.318 -5.880 -3.859
206 HE1 TYR 534 1HE TYR 534 14.520 -6.755 0.092
207 HE2 TYR 534 2HE TYR 534 18.359 -6.643 -1.765
208 HH TYR 534 HH TYR 534 17.015 -8.127 0.526
209 H PHE 535 H PHE 535 13.838 -2.357 -2.342
210 HA PHE 535 HA PHE 535 11.632 -3.817 -1.153
211 HB2 PHE 535 2HB PHE 535 13.041 -1.283 -0.328
212 HB3 PHE 535 1HB PHE 535 11.743 -2.025 0.592
213 HD1 PHE 535 1HD PHE 535 15.055 -2.879 -0.887
214 HD2 PHE 535 2HD PHE 535 12.303 -3.428 2.310
215 HE1 PHE 535 1HE PHE 535 16.712 -4.245 0.299
216 HE2 PHE 535 2HE PHE 535 13.955 -4.799 3.501
217 HZ PHE 535 HZ PHE 535 16.167 -5.213 2.499
218 H GLY 536 H GLY 536 12.212 -0.731 -2.740
219 HA2 GLY 536 2HA GLY 536 9.300 -0.249 -2.778
220 HA3 GLY 536 1HA GLY 536 10.514 1.019 -2.831
221 HA PRO 537 HA PRO 537 10.860 1.159 -7.225
222 HB2 PRO 537 2HB PRO 537 13.393 -0.413 -7.216
223 HB3 PRO 537 1HB PRO 537 13.039 1.143 -7.974
224 HG2 PRO 537 2HG PRO 537 14.483 0.997 -5.732
225 HG3 PRO 537 1HG PRO 537 13.337 2.322 -6.004
226 HD2 PRO 537 2HD PRO 537 13.114 -0.046 -4.224
227 HD3 PRO 537 1HD PRO 537 12.458 1.590 -4.016
228 H ALA 538 H ALA 538 11.835 -1.971 -5.895
229 HA ALA 538 HA ALA 538 10.860 -3.401 -8.227
230 HB1 ALA 538 1HB ALA 538 11.647 -5.403 -7.083
231 HB2 ALA 538 2HB ALA 538 11.966 -4.460 -5.626
232 HB3 ALA 538 3HB ALA 538 12.897 -4.158 -7.095
233 H ALA 539 H ALA 539 9.845 -2.662 -4.967
234 HA ALA 539 HA ALA 539 7.891 -4.546 -4.490
235 HB1 ALA 539 1HB ALA 539 8.455 -1.830 -3.573
236 HB2 ALA 539 2HB ALA 539 7.997 -3.269 -2.662
237 HB3 ALA 539 3HB ALA 539 6.758 -2.295 -3.453
238 H GLU 540 H GLU 540 5.486 -4.099 -4.463
239 HA GLU 540 HA GLU 540 4.454 -2.523 -6.660
240 HB2 GLU 540 2HB GLU 540 3.934 -5.497 -6.640
241 HB3 GLU 540 1HB GLU 540 3.436 -4.333 -7.860
242 HG2 GLU 540 2HG GLU 540 5.855 -3.937 -8.347
243 HG3 GLU 540 1HG GLU 540 6.226 -5.284 -7.270
244 H GLY 541 H GLY 541 3.848 -4.892 -4.121
245 HA2 GLY 541 2HA GLY 541 1.211 -3.646 -3.652
246 HA3 GLY 541 1HA GLY 541 1.595 -5.317 -3.259
247 H ILE 542 H ILE 542 3.733 -2.614 -2.710
248 HA ILE 542 HA ILE 542 3.105 -2.517 0.130
249 HB ILE 542 HB ILE 542 5.985 -2.896 -0.577
250 HG12 ILE 542 2HG1 ILE 542 5.602 -5.365 0.066
251 HG13 ILE 542 1HG1 ILE 542 3.919 -5.068 -0.368
252 HG21 ILE 542 1HG2 ILE 542 4.398 -3.655 1.874
253 HG22 ILE 542 2HG2 ILE 542 5.272 -2.136 1.670
254 HG23 ILE 542 3HG2 ILE 542 6.153 -3.663 1.702
255 HD11 ILE 542 3HD1 ILE 542 5.341 -4.033 -2.497
256 HD12 ILE 542 1HD1 ILE 542 4.506 -5.589 -2.444
257 HD13 ILE 542 2HD1 ILE 542 6.226 -5.499 -2.061
258 H TYR 543 H TYR 543 4.859 -1.344 -2.671
259 HA TYR 543 HA TYR 543 5.455 1.123 -1.285
260 HB2 TYR 543 2HB TYR 543 7.311 1.246 -2.540
261 HB3 TYR 543 1HB TYR 543 7.042 -0.466 -2.749
262 HD1 TYR 543 2HD TYR 543 5.659 -1.173 -4.813
263 HD2 TYR 543 1HD TYR 543 7.523 2.622 -4.389
264 HE1 TYR 543 2HE TYR 543 5.585 -0.873 -7.246
265 HE2 TYR 543 1HE TYR 543 7.464 2.938 -6.821
266 HH TYR 543 HH TYR 543 6.941 0.496 -8.981
267 H ILE 544 H ILE 544 3.952 -0.092 -4.235
268 HA ILE 544 HA ILE 544 2.646 0.867 -5.833
269 HB ILE 544 HB ILE 544 1.279 2.178 -3.509
270 HG12 ILE 544 2HG1 ILE 544 -0.020 -0.008 -3.395
271 HG13 ILE 544 1HG1 ILE 544 1.299 -0.722 -4.313
272 HG21 ILE 544 1HG2 ILE 544 -0.694 1.259 -5.015
273 HG22 ILE 544 2HG2 ILE 544 0.545 1.364 -6.267
274 HG23 ILE 544 3HG2 ILE 544 0.090 2.802 -5.355
275 HD11 ILE 544 3HD1 ILE 544 2.224 0.762 -1.999
276 HD12 ILE 544 1HD1 ILE 544 2.581 -0.887 -2.508
277 HD13 ILE 544 2HD1 ILE 544 1.124 -0.546 -1.578
278 H GLU 545 H GLU 545 2.600 3.463 -3.428
279 HA GLU 545 HA GLU 545 3.130 5.669 -3.525
280 HB2 GLU 545 2HB GLU 545 4.542 5.236 -6.134
281 HB3 GLU 545 1HB GLU 545 4.912 6.385 -4.854
282 HG2 GLU 545 2HG GLU 545 5.072 3.535 -4.136
283 HG3 GLU 545 1HG GLU 545 6.283 4.129 -5.269
284 H GLY 546 H GLY 546 0.770 4.523 -4.805
285 HA2 GLY 546 2HA GLY 546 0.126 6.827 -6.504
286 HA3 GLY 546 1HA GLY 546 -0.227 5.210 -7.092
287 H LEU 547 H LEU 547 -0.672 5.005 -3.845
288 HA LEU 547 HA LEU 547 -3.415 6.066 -3.923
289 HB2 LEU 547 2HB LEU 547 -4.461 4.080 -3.381
290 HB3 LEU 547 1HB LEU 547 -3.270 3.594 -4.572
291 HG LEU 547 HG LEU 547 -3.017 3.260 -1.582
292 HD11 LEU 547 1HD1 LEU 547 -3.282 1.125 -3.682
293 HD12 LEU 547 2HD1 LEU 547 -4.661 1.783 -2.798
294 HD13 LEU 547 3HD1 LEU 547 -3.371 0.951 -1.928
295 HD21 LEU 547 3HD2 LEU 547 -0.826 3.309 -2.067
296 HD22 LEU 547 1HD2 LEU 547 -1.097 3.073 -3.791
297 HD23 LEU 547 2HD2 LEU 547 -1.111 1.688 -2.701
298 H MET 548 H MET 548 -0.579 5.618 -2.179
299 HA MET 548 HA MET 548 -1.654 5.493 0.443
300 HB2 MET 548 2HB MET 548 0.748 6.520 0.973
301 HB3 MET 548 1HB MET 548 0.518 4.829 0.582
302 HG2 MET 548 2HG MET 548 2.413 5.651 -0.605
303 HG3 MET 548 1HG MET 548 1.131 5.326 -1.766
304 HE1 MET 548 3HE MET 548 0.705 6.453 -3.410
305 HE2 MET 548 1HE MET 548 1.744 7.781 -3.925
306 HE3 MET 548 2HE MET 548 0.103 8.109 -3.372
307 H HIS 549 H HIS 549 -3.294 7.195 -0.152
308 HA HIS 549 HA HIS 549 -2.251 9.853 0.578
309 HB2 HIS 549 2HB HIS 549 -4.873 9.648 -0.803
310 HB3 HIS 549 1HB HIS 549 -3.634 10.888 -0.925
311 HD1 HIS 549 1HD HIS 549 -5.173 9.230 -3.269
312 HD2 HIS 549 2HD HIS 549 -1.228 8.837 -2.025
313 HE1 HIS 549 1HE HIS 549 -3.948 8.231 -5.223
314 HE2 HIS 549 2HE HIS 549 -1.540 8.130 -4.492
315 H ASN 550 H ASN 550 -3.236 7.564 2.235
316 HA ASN 550 HA ASN 550 -4.420 7.278 4.150
317 HB2 ASN 550 2HB ASN 550 -5.135 10.203 3.905
318 HB3 ASN 550 1HB ASN 550 -5.213 9.215 5.360
319 HD21 ASN 550 1HD2 ASN 550 -3.630 11.664 4.375
320 HD22 ASN 550 2HD2 ASN 550 -2.012 11.306 4.863
321 H GLN 551 H GLN 551 -5.726 6.108 2.370
322 HA GLN 551 HA GLN 551 -8.452 7.215 2.293
323 HB2 GLN 551 2HB GLN 551 -8.491 5.139 0.489
324 HB3 GLN 551 1HB GLN 551 -8.304 6.837 0.088
325 HG2 GLN 551 2HG GLN 551 -6.552 5.980 -1.053
326 HG3 GLN 551 1HG GLN 551 -5.754 6.293 0.484
327 HE21 GLN 551 1HE2 GLN 551 -6.188 4.326 2.070
328 HE22 GLN 551 2HE2 GLN 551 -5.783 2.789 1.401
329 H ASP 552 H ASP 552 -10.024 5.178 1.863
330 HA ASP 552 HA ASP 552 -9.562 2.773 3.193
331 HB2 ASP 552 2HB ASP 552 -10.727 3.099 5.306
332 HB3 ASP 552 1HB ASP 552 -9.366 4.208 5.193
333 H GLY 553 H GLY 553 -11.699 5.157 1.942
334 HA2 GLY 553 2HA GLY 553 -14.042 3.454 2.055
335 HA3 GLY 553 1HA GLY 553 -13.949 5.056 1.338
336 H LEU 554 H LEU 554 -11.540 4.269 -0.211
337 HA LEU 554 HA LEU 554 -12.960 3.155 -2.475
338 HB2 LEU 554 2HB LEU 554 -10.811 3.606 -3.669
339 HB3 LEU 554 1HB LEU 554 -11.573 5.014 -2.954
340 HG LEU 554 HG LEU 554 -9.775 4.004 -1.016
341 HD11 LEU 554 1HD1 LEU 554 -8.047 4.615 -3.292
342 HD12 LEU 554 2HD1 LEU 554 -8.898 3.076 -3.427
343 HD13 LEU 554 3HD1 LEU 554 -7.878 3.398 -2.027
344 HD21 LEU 554 3HD2 LEU 554 -10.147 6.435 -2.651
345 HD22 LEU 554 1HD2 LEU 554 -8.548 6.202 -1.944
346 HD23 LEU 554 2HD2 LEU 554 -9.971 6.253 -0.905
347 H ILE 555 H ILE 555 -11.424 1.788 0.087
348 HA ILE 555 HA ILE 555 -10.898 -0.659 -1.410
349 HB ILE 555 HB ILE 555 -8.802 -1.024 -0.113
350 HG12 ILE 555 2HG1 ILE 555 -9.263 0.661 1.657
351 HG13 ILE 555 1HG1 ILE 555 -7.683 0.847 0.931
352 HG21 ILE 555 1HG2 ILE 555 -8.313 1.430 -1.696
353 HG22 ILE 555 2HG2 ILE 555 -9.098 0.070 -2.504
354 HG23 ILE 555 3HG2 ILE 555 -7.514 -0.145 -1.756
355 HD11 ILE 555 3HD1 ILE 555 -9.155 2.498 -0.605
356 HD12 ILE 555 1HD1 ILE 555 -8.215 2.990 0.802
357 HD13 ILE 555 2HD1 ILE 555 -9.942 2.670 0.963
358 H CYS 556 H CYS 556 -11.137 0.944 1.725
359 HA CYS 556 HA CYS 556 -11.784 -1.600 2.972
360 HB2 CYS 556 2HB CYS 556 -10.131 0.309 3.847
361 HB3 CYS 556 1HB CYS 556 -11.620 0.927 4.543
362 H GLY 557 H GLY 557 -13.888 -1.744 1.968
363 HA2 GLY 557 2HA GLY 557 -15.874 -0.066 3.368
364 HA3 GLY 557 1HA GLY 557 -16.033 -0.427 1.657
365 H LEU 558 H LEU 558 -15.949 -2.874 1.172
366 HA LEU 558 HA LEU 558 -17.262 -4.408 3.289
367 HB2 LEU 558 2HB LEU 558 -18.981 -5.213 1.785
368 HB3 LEU 558 1HB LEU 558 -19.049 -3.468 1.916
369 HG LEU 558 HG LEU 558 -17.798 -4.949 -0.397
370 HD11 LEU 558 1HD1 LEU 558 -20.071 -5.432 -0.579
371 HD12 LEU 558 2HD1 LEU 558 -19.856 -4.003 -1.590
372 HD13 LEU 558 3HD1 LEU 558 -20.552 -3.846 0.023
373 HD21 LEU 558 3HD2 LEU 558 -16.858 -2.957 -0.759
374 HD22 LEU 558 1HD2 LEU 558 -17.889 -2.153 0.423
375 HD23 LEU 558 2HD2 LEU 558 -18.474 -2.420 -1.219
376 H ARG 559 H ARG 559 -15.905 -4.540 -0.007
377 HA ARG 559 HA ARG 559 -14.032 -6.517 0.562
378 HB2 ARG 559 2HB ARG 559 -15.014 -8.510 -0.426
379 HB3 ARG 559 1HB ARG 559 -16.010 -7.955 0.913
380 HG2 ARG 559 2HG ARG 559 -16.789 -6.818 -1.648
381 HG3 ARG 559 1HG ARG 559 -16.907 -8.581 -1.596
382 HD2 ARG 559 2HD ARG 559 -18.114 -6.703 0.433
383 HD3 ARG 559 1HD ARG 559 -18.994 -7.436 -0.908
384 HE ARG 559 HE ARG 559 -17.689 -9.384 0.721
385 HH11 ARG 559 1HH1 ARG 559 -20.520 -7.354 0.496
386 HH12 ARG 559 2HH1 ARG 559 -21.496 -8.392 1.482
387 HH21 ARG 559 1HH2 ARG 559 -18.970 -10.750 2.016
388 HH22 ARG 559 2HH2 ARG 559 -20.615 -10.320 2.346
389 H GLN 560 H GLN 560 -14.213 -4.170 -0.941
390 HA GLN 560 HA GLN 560 -13.990 -5.076 -3.719
391 HB2 GLN 560 2HB GLN 560 -14.287 -2.838 -4.402
392 HB3 GLN 560 1HB GLN 560 -15.430 -3.083 -3.089
393 HG2 GLN 560 2HG GLN 560 -12.972 -2.123 -2.004
394 HG3 GLN 560 1HG GLN 560 -13.455 -1.088 -3.346
395 HE21 GLN 560 1HE2 GLN 560 -14.452 -2.429 -0.270
396 HE22 GLN 560 2HE2 GLN 560 -15.642 -1.230 0.082
Start of MODEL 10
1 H1 ALA 507 1HT ALA 507 -10.742 -10.354 -6.438
2 H2 ALA 507 2HT ALA 507 -10.845 -8.691 -6.853
3 H3 ALA 507 3HT ALA 507 -10.560 -9.867 -8.071
4 HA ALA 507 HA ALA 507 -12.737 -9.429 -8.351
5 HB1 ALA 507 1HB ALA 507 -12.490 -11.789 -8.181
6 HB2 ALA 507 2HB ALA 507 -13.969 -11.357 -7.324
7 HB3 ALA 507 3HB ALA 507 -12.501 -11.725 -6.418
8 H GLN 508 H GLN 508 -12.501 -10.129 -4.857
9 HA GLN 508 HA GLN 508 -13.784 -7.643 -4.185
10 HB2 GLN 508 2HB GLN 508 -15.235 -10.267 -3.866
11 HB3 GLN 508 1HB GLN 508 -15.641 -8.843 -2.918
12 HG2 GLN 508 2HG GLN 508 -16.034 -7.623 -5.053
13 HG3 GLN 508 1HG GLN 508 -15.810 -9.151 -5.904
14 HE21 GLN 508 1HE2 GLN 508 -17.672 -7.752 -3.229
15 HE22 GLN 508 2HE2 GLN 508 -19.135 -8.603 -3.575
16 HA PRO 509 HA PRO 509 -11.142 -9.532 -0.874
17 HB2 PRO 509 2HB PRO 509 -9.010 -7.734 -1.315
18 HB3 PRO 509 1HB PRO 509 -9.072 -9.433 -1.777
19 HG2 PRO 509 2HG PRO 509 -9.009 -7.246 -3.528
20 HG3 PRO 509 1HG PRO 509 -9.415 -8.916 -3.955
21 HD2 PRO 509 2HD PRO 509 -11.218 -6.601 -3.414
22 HD3 PRO 509 1HD PRO 509 -11.418 -7.953 -4.550
23 H LYS 510 H LYS 510 -11.155 -8.787 1.182
24 HA LYS 510 HA LYS 510 -12.150 -6.093 1.637
25 HB2 LYS 510 2HB LYS 510 -11.973 -8.597 3.233
26 HB3 LYS 510 1HB LYS 510 -11.981 -7.076 4.114
27 HG2 LYS 510 2HG LYS 510 -14.174 -6.903 3.883
28 HG3 LYS 510 1HG LYS 510 -14.037 -7.027 2.129
29 HD2 LYS 510 2HD LYS 510 -13.880 -9.476 3.847
30 HD3 LYS 510 1HD LYS 510 -15.444 -8.784 3.411
31 HE2 LYS 510 2HE LYS 510 -15.082 -9.140 1.117
32 HE3 LYS 510 1HE LYS 510 -13.354 -9.409 1.347
33 HZ1 LYS 510 3HZ LYS 510 -13.903 -11.460 2.547
34 HZ2 LYS 510 1HZ LYS 510 -14.466 -11.489 0.952
35 HZ3 LYS 510 2HZ LYS 510 -15.544 -11.213 2.225
36 H CYS 511 H CYS 511 -10.803 -4.460 1.947
37 HA CYS 511 HA CYS 511 -8.964 -3.238 2.493
38 HB2 CYS 511 2HB CYS 511 -9.543 -4.933 4.722
39 HB3 CYS 511 1HB CYS 511 -7.795 -4.775 4.581
40 H ASN 512 H ASN 512 -7.608 -3.400 0.791
41 HA ASN 512 HA ASN 512 -5.822 -5.707 0.643
42 HB2 ASN 512 2HB ASN 512 -6.193 -3.585 -1.466
43 HB3 ASN 512 1HB ASN 512 -5.391 -5.139 -1.641
44 HD21 ASN 512 1HD2 ASN 512 -8.537 -3.738 -0.772
45 HD22 ASN 512 2HD2 ASN 512 -9.479 -4.979 -1.511
46 HA PRO 513 HA PRO 513 -2.723 -2.177 0.991
47 HB2 PRO 513 2HB PRO 513 -3.505 0.335 0.356
48 HB3 PRO 513 1HB PRO 513 -3.164 -0.896 -0.863
49 HG2 PRO 513 2HG PRO 513 -5.712 0.303 -0.196
50 HG3 PRO 513 1HG PRO 513 -5.332 -0.831 -1.501
51 HD2 PRO 513 2HD PRO 513 -6.442 -1.367 1.189
52 HD3 PRO 513 1HD PRO 513 -6.590 -2.306 -0.308
53 H ASN 514 H ASN 514 -5.199 -2.388 2.952
54 HA ASN 514 HA ASN 514 -4.308 -0.225 4.741
55 HB2 ASN 514 2HB ASN 514 -7.020 -1.113 3.965
56 HB3 ASN 514 1HB ASN 514 -6.789 -0.837 5.688
57 HD21 ASN 514 1HD2 ASN 514 -6.879 0.615 2.532
58 HD22 ASN 514 2HD2 ASN 514 -6.923 2.254 3.070
59 H LEU 515 H LEU 515 -2.802 -2.272 4.910
60 HA LEU 515 HA LEU 515 -3.853 -4.025 7.022
61 HB2 LEU 515 2HB LEU 515 -1.341 -4.707 5.609
62 HB3 LEU 515 1HB LEU 515 -2.607 -5.755 6.212
63 HG LEU 515 HG LEU 515 -2.672 -5.994 3.882
64 HD11 LEU 515 1HD1 LEU 515 -4.848 -5.108 5.217
65 HD12 LEU 515 2HD1 LEU 515 -4.862 -5.649 3.539
66 HD13 LEU 515 3HD1 LEU 515 -4.757 -3.930 3.910
67 HD21 LEU 515 3HD2 LEU 515 -3.091 -3.305 2.959
68 HD22 LEU 515 1HD2 LEU 515 -1.870 -4.480 2.466
69 HD23 LEU 515 2HD2 LEU 515 -1.570 -3.419 3.842
70 H HIS 516 H HIS 516 -0.855 -2.386 5.979
71 HA HIS 516 HA HIS 516 -0.311 -1.292 8.503
72 HB2 HIS 516 2HB HIS 516 1.144 -2.731 9.542
73 HB3 HIS 516 1HB HIS 516 0.080 -3.893 8.757
74 HD1 HIS 516 1HD HIS 516 1.050 -5.257 6.807
75 HD2 HIS 516 2HD HIS 516 3.694 -2.509 8.438
76 HE1 HIS 516 1HE HIS 516 3.262 -5.746 5.728
77 HE2 HIS 516 2HE HIS 516 4.859 -4.064 6.722
78 H TYR 517 H TYR 517 1.539 -2.791 5.841
79 HA TYR 517 HA TYR 517 3.654 -1.019 5.779
80 HB2 TYR 517 2HB TYR 517 3.173 -1.699 3.074
81 HB3 TYR 517 1HB TYR 517 4.382 -2.346 4.160
82 HD1 TYR 517 1HD TYR 517 0.667 -2.957 4.299
83 HD2 TYR 517 2HD TYR 517 4.532 -4.531 3.441
84 HE1 TYR 517 1HE TYR 517 -0.304 -5.191 4.026
85 HE2 TYR 517 2HE TYR 517 3.560 -6.771 3.173
86 HH TYR 517 HH TYR 517 0.465 -7.383 2.653
87 H TRP 518 H TRP 518 0.440 -0.356 4.864
88 HA TRP 518 HA TRP 518 1.364 2.056 3.452
89 HB2 TRP 518 2HB TRP 518 -1.362 1.007 2.906
90 HB3 TRP 518 1HB TRP 518 -0.247 1.821 1.840
91 HD1 TRP 518 HD TRP 518 0.947 -1.370 3.522
92 HE1 TRP 518 1HE TRP 518 1.149 -3.191 1.792
93 HE3 TRP 518 3HE TRP 518 -1.264 1.019 -0.411
94 HZ2 TRP 518 2HZ TRP 518 0.446 -3.638 -0.902
95 HZ3 TRP 518 3HZ TRP 518 -1.463 -0.195 -2.544
96 HH2 TRP 518 HH TRP 518 -0.621 -2.474 -2.786
97 H THR 519 H THR 519 -1.084 0.636 5.515
98 HA THR 519 HA THR 519 -2.575 2.954 6.043
99 HB THR 519 HB THR 519 -3.403 0.719 6.555
100 HG1 THR 519 1HG THR 519 -4.203 1.176 8.628
101 HG21 THR 519 3HG2 THR 519 -2.357 -0.794 7.796
102 HG22 THR 519 1HG2 THR 519 -1.960 0.376 9.052
103 HG23 THR 519 2HG2 THR 519 -0.931 0.230 7.625
104 H THR 520 H THR 520 0.429 1.805 7.324
105 HA THR 520 HA THR 520 0.372 3.670 9.551
106 HB THR 520 HB THR 520 1.796 1.255 8.934
107 HG1 THR 520 1HG THR 520 1.028 1.283 10.899
108 HG21 THR 520 3HG2 THR 520 3.555 3.593 9.620
109 HG22 THR 520 1HG2 THR 520 3.770 2.401 8.339
110 HG23 THR 520 2HG2 THR 520 3.971 1.929 10.026
111 H GLN 521 H GLN 521 2.691 3.042 6.917
112 HA GLN 521 HA GLN 521 3.509 5.839 7.101
113 HB2 GLN 521 2HB GLN 521 5.551 5.229 6.102
114 HB3 GLN 521 1HB GLN 521 5.186 3.941 7.241
115 HG2 GLN 521 2HG GLN 521 4.764 2.409 5.583
116 HG3 GLN 521 1HG GLN 521 4.394 3.646 4.389
117 HE21 GLN 521 1HE2 GLN 521 6.428 5.243 4.181
118 HE22 GLN 521 2HE2 GLN 521 7.906 4.408 3.852
119 H ASP 522 H ASP 522 4.607 6.150 4.600
120 HA ASP 522 HA ASP 522 2.180 6.425 2.984
121 HB2 ASP 522 2HB ASP 522 4.631 8.009 3.340
122 HB3 ASP 522 1HB ASP 522 3.993 7.953 1.703
123 H GLU 523 H GLU 523 3.565 3.947 3.086
124 HA GLU 523 HA GLU 523 4.544 2.328 1.786
125 HB2 GLU 523 2HB GLU 523 3.242 3.686 -0.557
126 HB3 GLU 523 1HB GLU 523 3.439 1.964 -0.248
127 HG2 GLU 523 2HG GLU 523 1.793 2.043 1.502
128 HG3 GLU 523 1HG GLU 523 1.665 3.792 1.341
129 H GLY 524 H GLY 524 6.068 4.714 2.200
130 HA2 GLY 524 2HA GLY 524 8.342 4.299 0.777
131 HA3 GLY 524 1HA GLY 524 7.415 5.389 -0.246
132 H ALA 525 H ALA 525 6.158 6.689 2.048
133 HA ALA 525 HA ALA 525 6.470 8.547 3.293
134 HB1 ALA 525 1HB ALA 525 7.483 7.765 5.102
135 HB2 ALA 525 2HB ALA 525 9.001 8.317 4.392
136 HB3 ALA 525 3HB ALA 525 8.458 6.658 4.137
137 H ALA 526 H ALA 526 7.813 8.259 0.490
138 HA ALA 526 HA ALA 526 9.144 9.485 -0.876
139 HB1 ALA 526 1HB ALA 526 7.172 11.031 0.023
140 HB2 ALA 526 2HB ALA 526 8.403 11.621 -1.094
141 HB3 ALA 526 3HB ALA 526 8.543 11.959 0.633
142 H ILE 527 H ILE 527 10.214 8.643 1.889
143 HA ILE 527 HA ILE 527 12.173 10.582 2.577
144 HB ILE 527 HB ILE 527 13.247 8.476 3.697
145 HG12 ILE 527 2HG1 ILE 527 11.660 6.716 4.225
146 HG13 ILE 527 1HG1 ILE 527 10.418 7.517 3.270
147 HG21 ILE 527 1HG2 ILE 527 12.458 10.014 5.177
148 HG22 ILE 527 2HG2 ILE 527 11.324 8.699 5.482
149 HG23 ILE 527 3HG2 ILE 527 10.852 10.048 4.450
150 HD11 ILE 527 3HD1 ILE 527 12.993 6.648 2.026
151 HD12 ILE 527 1HD1 ILE 527 11.433 6.958 1.262
152 HD13 ILE 527 2HD1 ILE 527 11.656 5.520 2.259
153 H GLY 528 H GLY 528 11.996 8.379 0.000
154 HA2 GLY 528 2HA GLY 528 14.196 9.141 -1.363
155 HA3 GLY 528 1HA GLY 528 14.854 7.962 -0.240
156 H LEU 529 H LEU 529 13.216 5.934 -0.166
157 HA LEU 529 HA LEU 529 12.258 4.181 -1.218
158 HB2 LEU 529 2HB LEU 529 11.415 6.223 -2.765
159 HB3 LEU 529 1HB LEU 529 12.348 5.302 -3.931
160 HG LEU 529 HG LEU 529 9.842 4.556 -2.504
161 HD11 LEU 529 1HD1 LEU 529 9.705 3.462 -4.938
162 HD12 LEU 529 2HD1 LEU 529 10.874 4.740 -5.271
163 HD13 LEU 529 3HD1 LEU 529 9.285 5.146 -4.626
164 HD21 LEU 529 3HD2 LEU 529 11.826 2.582 -3.609
165 HD22 LEU 529 1HD2 LEU 529 10.208 2.206 -3.018
166 HD23 LEU 529 2HD2 LEU 529 11.441 2.807 -1.904
167 H ALA 530 H ALA 530 15.045 5.663 -2.566
168 HA ALA 530 HA ALA 530 15.837 3.371 -4.071
169 HB1 ALA 530 1HB ALA 530 16.489 5.602 -4.806
170 HB2 ALA 530 2HB ALA 530 17.906 4.591 -4.521
171 HB3 ALA 530 3HB ALA 530 17.443 5.814 -3.337
172 H TRP 531 H TRP 531 15.807 3.941 -0.862
173 HA TRP 531 HA TRP 531 18.313 2.751 -0.072
174 HB2 TRP 531 2HB TRP 531 17.277 2.879 2.213
175 HB3 TRP 531 1HB TRP 531 17.271 4.427 1.371
176 HD1 TRP 531 HD TRP 531 14.875 4.950 0.027
177 HE1 TRP 531 1HE TRP 531 12.494 4.552 0.834
178 HE3 TRP 531 3HE TRP 531 15.848 1.578 3.736
179 HZ2 TRP 531 2HZ TRP 531 11.165 3.035 2.825
180 HZ3 TRP 531 3HZ TRP 531 13.962 0.709 5.058
181 HH2 TRP 531 HH TRP 531 11.669 1.424 4.612
182 H ILE 532 H ILE 532 15.485 1.619 -1.348
183 HA ILE 532 HA ILE 532 15.813 -1.041 -0.153
184 HB ILE 532 HB ILE 532 13.225 -1.120 -0.591
185 HG12 ILE 532 2HG1 ILE 532 13.809 1.834 -0.315
186 HG13 ILE 532 1HG1 ILE 532 12.977 1.037 -1.642
187 HG21 ILE 532 1HG2 ILE 532 14.181 -1.449 1.582
188 HG22 ILE 532 2HG2 ILE 532 12.876 -0.273 1.742
189 HG23 ILE 532 3HG2 ILE 532 14.555 0.268 1.725
190 HD11 ILE 532 3HD1 ILE 532 11.064 0.646 -0.310
191 HD12 ILE 532 1HD1 ILE 532 11.545 2.320 -0.037
192 HD13 ILE 532 2HD1 ILE 532 11.922 1.085 1.165
193 HA PRO 533 HA PRO 533 16.366 -0.778 -4.924
194 HB2 PRO 533 2HB PRO 533 17.850 -3.177 -3.917
195 HB3 PRO 533 1HB PRO 533 18.251 -2.091 -5.253
196 HG2 PRO 533 2HG PRO 533 19.429 -1.857 -2.856
197 HG3 PRO 533 1HG PRO 533 19.049 -0.441 -3.852
198 HD2 PRO 533 2HD PRO 533 17.812 -1.346 -1.338
199 HD3 PRO 533 1HD PRO 533 17.791 0.260 -2.092
200 H TYR 534 H TYR 534 15.826 -3.660 -2.877
201 HA TYR 534 HA TYR 534 13.961 -4.638 -4.938
202 HB2 TYR 534 2HB TYR 534 14.410 -6.899 -4.015
203 HB3 TYR 534 1HB TYR 534 15.846 -6.116 -4.670
204 HD1 TYR 534 2HD TYR 534 14.046 -6.549 -1.419
205 HD2 TYR 534 1HD TYR 534 17.783 -6.128 -3.412
206 HE1 TYR 534 2HE TYR 534 15.217 -6.910 0.713
207 HE2 TYR 534 1HE TYR 534 18.964 -6.486 -1.285
208 HH TYR 534 HH TYR 534 17.378 -7.612 1.534
209 H PHE 535 H PHE 535 13.794 -3.034 -2.157
210 HA PHE 535 HA PHE 535 11.497 -4.575 -1.146
211 HB2 PHE 535 2HB PHE 535 13.215 -4.425 0.507
212 HB3 PHE 535 1HB PHE 535 13.391 -2.701 0.269
213 HD1 PHE 535 1HD PHE 535 11.404 -1.218 0.865
214 HD2 PHE 535 2HD PHE 535 11.774 -5.262 2.133
215 HE1 PHE 535 1HE PHE 535 9.791 -0.792 2.672
216 HE2 PHE 535 2HE PHE 535 10.158 -4.845 3.943
217 HZ PHE 535 HZ PHE 535 9.168 -2.606 4.212
218 H GLY 536 H GLY 536 12.505 -1.612 -2.533
219 HA2 GLY 536 2HA GLY 536 9.891 -0.393 -1.893
220 HA3 GLY 536 1HA GLY 536 11.344 0.522 -2.239
221 HA PRO 537 HA PRO 537 10.283 0.902 -6.492
222 HB2 PRO 537 2HB PRO 537 12.890 -0.225 -7.329
223 HB3 PRO 537 1HB PRO 537 12.201 1.369 -7.652
224 HG2 PRO 537 2HG PRO 537 14.209 1.074 -5.920
225 HG3 PRO 537 1HG PRO 537 12.901 2.231 -5.609
226 HD2 PRO 537 2HD PRO 537 13.323 -0.505 -4.473
227 HD3 PRO 537 1HD PRO 537 12.808 0.981 -3.649
228 H ALA 538 H ALA 538 11.821 -2.112 -5.565
229 HA ALA 538 HA ALA 538 10.573 -3.557 -7.768
230 HB1 ALA 538 1HB ALA 538 12.098 -4.924 -5.602
231 HB2 ALA 538 2HB ALA 538 12.969 -3.925 -6.765
232 HB3 ALA 538 3HB ALA 538 12.008 -5.294 -7.324
233 H ALA 539 H ALA 539 9.935 -2.718 -4.535
234 HA ALA 539 HA ALA 539 8.569 -4.863 -3.472
235 HB1 ALA 539 1HB ALA 539 8.974 -2.205 -2.805
236 HB2 ALA 539 2HB ALA 539 8.137 -3.416 -1.834
237 HB3 ALA 539 3HB ALA 539 7.221 -2.360 -2.911
238 H GLU 540 H GLU 540 7.105 -2.162 -5.273
239 HA GLU 540 HA GLU 540 5.336 -2.036 -6.673
240 HB2 GLU 540 2HB GLU 540 5.295 -5.041 -6.596
241 HB3 GLU 540 1HB GLU 540 4.543 -4.010 -7.803
242 HG2 GLU 540 2HG GLU 540 7.233 -3.271 -7.765
243 HG3 GLU 540 1HG GLU 540 7.225 -5.031 -7.672
244 H GLY 541 H GLY 541 4.748 -4.681 -4.344
245 HA2 GLY 541 2HA GLY 541 2.023 -3.616 -3.977
246 HA3 GLY 541 1HA GLY 541 2.522 -5.259 -3.611
247 H ILE 542 H ILE 542 4.347 -2.423 -2.717
248 HA ILE 542 HA ILE 542 3.378 -2.502 0.018
249 HB ILE 542 HB ILE 542 6.336 -2.646 -0.290
250 HG12 ILE 542 2HG1 ILE 542 6.130 -5.172 0.079
251 HG13 ILE 542 1HG1 ILE 542 4.474 -5.009 -0.493
252 HG21 ILE 542 1HG2 ILE 542 4.311 -3.014 1.816
253 HG22 ILE 542 2HG2 ILE 542 5.937 -2.336 1.905
254 HG23 ILE 542 3HG2 ILE 542 5.710 -4.084 1.897
255 HD11 ILE 542 3HD1 ILE 542 6.982 -5.015 -1.977
256 HD12 ILE 542 1HD1 ILE 542 5.885 -3.713 -2.442
257 HD13 ILE 542 2HD1 ILE 542 5.343 -5.392 -2.510
258 H TYR 543 H TYR 543 5.349 -1.075 -2.499
259 HA TYR 543 HA TYR 543 5.684 1.340 -0.945
260 HB2 TYR 543 2HB TYR 543 7.611 1.621 -2.088
261 HB3 TYR 543 1HB TYR 543 7.432 -0.089 -2.420
262 HD1 TYR 543 2HD TYR 543 6.152 -0.704 -4.581
263 HD2 TYR 543 1HD TYR 543 7.889 3.106 -3.856
264 HE1 TYR 543 2HE TYR 543 6.179 -0.266 -6.996
265 HE2 TYR 543 1HE TYR 543 7.925 3.559 -6.269
266 HH TYR 543 HH TYR 543 6.220 2.275 -8.408
267 H ILE 544 H ILE 544 4.441 0.217 -4.057
268 HA ILE 544 HA ILE 544 3.201 1.209 -5.694
269 HB ILE 544 HB ILE 544 1.581 2.217 -3.379
270 HG12 ILE 544 2HG1 ILE 544 0.430 -0.033 -3.541
271 HG13 ILE 544 1HG1 ILE 544 1.814 -0.579 -4.479
272 HG21 ILE 544 1HG2 ILE 544 -0.271 1.503 -5.011
273 HG22 ILE 544 2HG2 ILE 544 1.008 1.496 -6.225
274 HG23 ILE 544 3HG2 ILE 544 0.627 2.982 -5.356
275 HD11 ILE 544 3HD1 ILE 544 1.563 -0.777 -1.779
276 HD12 ILE 544 1HD1 ILE 544 2.522 0.691 -1.948
277 HD13 ILE 544 2HD1 ILE 544 3.085 -0.817 -2.664
278 H GLU 545 H GLU 545 2.772 3.600 -3.126
279 HA GLU 545 HA GLU 545 3.139 5.839 -3.018
280 HB2 GLU 545 2HB GLU 545 4.754 5.737 -5.533
281 HB3 GLU 545 1HB GLU 545 4.963 6.765 -4.121
282 HG2 GLU 545 2HG GLU 545 5.347 4.374 -2.993
283 HG3 GLU 545 1HG GLU 545 5.896 4.021 -4.627
284 H GLY 546 H GLY 546 0.914 4.731 -4.434
285 HA2 GLY 546 2HA GLY 546 0.269 7.075 -6.073
286 HA3 GLY 546 1HA GLY 546 0.027 5.481 -6.766
287 H LEU 547 H LEU 547 -0.588 5.206 -3.509
288 HA LEU 547 HA LEU 547 -3.375 6.092 -3.738
289 HB2 LEU 547 2HB LEU 547 -4.334 4.023 -3.292
290 HB3 LEU 547 1HB LEU 547 -3.106 3.690 -4.496
291 HG LEU 547 HG LEU 547 -2.781 3.207 -1.536
292 HD11 LEU 547 1HD1 LEU 547 -3.059 0.872 -2.017
293 HD12 LEU 547 2HD1 LEU 547 -3.233 1.204 -3.740
294 HD13 LEU 547 3HD1 LEU 547 -4.472 1.747 -2.608
295 HD21 LEU 547 3HD2 LEU 547 -0.991 3.005 -3.879
296 HD22 LEU 547 1HD2 LEU 547 -0.909 1.700 -2.695
297 HD23 LEU 547 2HD2 LEU 547 -0.620 3.366 -2.195
298 H MET 548 H MET 548 -0.636 5.747 -1.824
299 HA MET 548 HA MET 548 -1.971 5.503 0.696
300 HB2 MET 548 2HB MET 548 0.442 6.468 1.439
301 HB3 MET 548 1HB MET 548 0.105 4.775 1.151
302 HG2 MET 548 2HG MET 548 2.120 5.224 0.058
303 HG3 MET 548 1HG MET 548 0.918 5.152 -1.220
304 HE1 MET 548 3HE MET 548 1.866 7.812 -3.233
305 HE2 MET 548 1HE MET 548 0.223 7.984 -2.619
306 HE3 MET 548 2HE MET 548 0.898 6.379 -2.888
307 H HIS 549 H HIS 549 -3.510 7.220 0.272
308 HA HIS 549 HA HIS 549 -2.471 9.784 1.255
309 HB2 HIS 549 2HB HIS 549 -4.766 10.076 -0.547
310 HB3 HIS 549 1HB HIS 549 -3.281 11.013 -0.457
311 HD1 HIS 549 1HD HIS 549 -4.995 9.351 -2.892
312 HD2 HIS 549 2HD HIS 549 -1.092 8.958 -1.526
313 HE1 HIS 549 1HE HIS 549 -3.730 8.274 -4.778
314 HE2 HIS 549 2HE HIS 549 -1.348 8.140 -3.967
315 H ASN 550 H ASN 550 -3.824 7.490 2.510
316 HA ASN 550 HA ASN 550 -5.420 7.099 4.080
317 HB2 ASN 550 2HB ASN 550 -6.012 10.058 3.966
318 HB3 ASN 550 1HB ASN 550 -6.334 8.951 5.297
319 HD21 ASN 550 1HD2 ASN 550 -4.713 8.409 6.690
320 HD22 ASN 550 2HD2 ASN 550 -3.157 9.160 6.676
321 H GLN 551 H GLN 551 -6.680 5.897 2.630
322 HA GLN 551 HA GLN 551 -9.024 7.314 1.564
323 HB2 GLN 551 2HB GLN 551 -8.769 4.747 0.345
324 HB3 GLN 551 1HB GLN 551 -8.706 6.329 -0.409
325 HG2 GLN 551 2HG GLN 551 -6.615 5.868 -0.969
326 HG3 GLN 551 1HG GLN 551 -6.191 6.017 0.732
327 HE21 GLN 551 1HE2 GLN 551 -6.391 4.038 2.037
328 HE22 GLN 551 2HE2 GLN 551 -6.018 2.522 1.301
329 H ASP 552 H ASP 552 -8.363 3.908 2.098
330 HA ASP 552 HA ASP 552 -9.457 2.281 3.250
331 HB2 ASP 552 2HB ASP 552 -9.081 4.232 5.068
332 HB3 ASP 552 1HB ASP 552 -10.841 4.189 5.056
333 H GLY 553 H GLY 553 -10.748 3.807 1.036
334 HA2 GLY 553 2HA GLY 553 -13.520 2.968 1.605
335 HA3 GLY 553 1HA GLY 553 -13.181 4.480 0.773
336 H LEU 554 H LEU 554 -10.974 3.438 -0.754
337 HA LEU 554 HA LEU 554 -12.477 2.197 -2.895
338 HB2 LEU 554 2HB LEU 554 -10.424 2.537 -4.194
339 HB3 LEU 554 1HB LEU 554 -10.979 4.012 -3.426
340 HG LEU 554 HG LEU 554 -9.200 3.046 -1.561
341 HD11 LEU 554 1HD1 LEU 554 -7.321 2.144 -2.561
342 HD12 LEU 554 2HD1 LEU 554 -7.790 2.680 -4.175
343 HD13 LEU 554 3HD1 LEU 554 -8.629 1.327 -3.415
344 HD21 LEU 554 3HD2 LEU 554 -9.539 5.346 -2.727
345 HD22 LEU 554 1HD2 LEU 554 -8.258 4.790 -3.803
346 HD23 LEU 554 2HD2 LEU 554 -7.957 4.927 -2.071
347 H ILE 555 H ILE 555 -11.051 0.981 -0.251
348 HA ILE 555 HA ILE 555 -10.473 -1.570 -1.550
349 HB ILE 555 HB ILE 555 -8.472 -1.891 -0.149
350 HG12 ILE 555 2HG1 ILE 555 -9.028 -0.285 1.641
351 HG13 ILE 555 1HG1 ILE 555 -7.434 0.005 0.977
352 HG21 ILE 555 1HG2 ILE 555 -7.240 -1.173 -1.847
353 HG22 ILE 555 2HG2 ILE 555 -7.586 0.516 -1.468
354 HG23 ILE 555 3HG2 ILE 555 -8.694 -0.407 -2.485
355 HD11 ILE 555 3HD1 ILE 555 -8.967 1.643 -0.544
356 HD12 ILE 555 1HD1 ILE 555 -8.058 2.125 0.884
357 HD13 ILE 555 2HD1 ILE 555 -9.768 1.726 1.023
358 H CYS 556 H CYS 556 -10.924 0.216 1.463
359 HA CYS 556 HA CYS 556 -12.006 -2.227 2.676
360 HB2 CYS 556 2HB CYS 556 -9.952 -0.645 3.594
361 HB3 CYS 556 1HB CYS 556 -11.331 -0.017 4.491
362 H GLY 557 H GLY 557 -14.125 -1.902 1.872
363 HA2 GLY 557 2HA GLY 557 -15.535 0.366 3.133
364 HA3 GLY 557 1HA GLY 557 -15.928 -0.211 1.520
365 H LEU 558 H LEU 558 -16.508 -2.616 1.440
366 HA LEU 558 HA LEU 558 -17.860 -3.501 3.870
367 HB2 LEU 558 2HB LEU 558 -19.936 -3.945 2.636
368 HB3 LEU 558 1HB LEU 558 -19.542 -2.240 2.719
369 HG LEU 558 HG LEU 558 -18.745 -3.790 0.293
370 HD11 LEU 558 1HD1 LEU 558 -20.935 -4.453 0.213
371 HD12 LEU 558 2HD1 LEU 558 -21.039 -2.887 -0.593
372 HD13 LEU 558 3HD1 LEU 558 -21.511 -3.040 1.098
373 HD21 LEU 558 3HD2 LEU 558 -18.400 -1.202 1.059
374 HD22 LEU 558 1HD2 LEU 558 -19.879 -1.095 0.103
375 HD23 LEU 558 2HD2 LEU 558 -18.412 -1.765 -0.612
376 H ARG 559 H ARG 559 -16.900 -4.250 0.543
377 HA ARG 559 HA ARG 559 -15.713 -6.678 1.118
378 HB2 ARG 559 2HB ARG 559 -17.502 -8.208 0.082
379 HB3 ARG 559 1HB ARG 559 -17.747 -7.683 1.745
380 HG2 ARG 559 2HG ARG 559 -19.777 -7.051 1.087
381 HG3 ARG 559 1HG ARG 559 -18.959 -5.698 0.300
382 HD2 ARG 559 2HD ARG 559 -19.643 -6.424 -1.673
383 HD3 ARG 559 1HD ARG 559 -18.776 -7.940 -1.423
384 HE ARG 559 HE ARG 559 -21.049 -8.349 -0.049
385 HH11 ARG 559 1HH1 ARG 559 -20.467 -7.186 -3.290
386 HH12 ARG 559 2HH1 ARG 559 -21.945 -7.829 -3.919
387 HH21 ARG 559 1HH2 ARG 559 -22.992 -9.193 -0.876
388 HH22 ARG 559 2HH2 ARG 559 -23.381 -8.967 -2.548
389 H GLN 560 H GLN 560 -15.553 -4.396 -0.570
390 HA GLN 560 HA GLN 560 -15.983 -5.189 -3.285
391 HB2 GLN 560 2HB GLN 560 -15.036 -3.102 -3.898
392 HB3 GLN 560 1HB GLN 560 -15.955 -2.804 -2.431
393 HG2 GLN 560 2HG GLN 560 -12.993 -3.307 -2.411
394 HG3 GLN 560 1HG GLN 560 -13.692 -1.700 -2.600
395 HE21 GLN 560 1HE2 GLN 560 -13.417 -4.461 -0.454
396 HE22 GLN 560 2HE2 GLN 560 -13.771 -3.605 1.003
Start of MODEL 11
1 H1 ALA 507 1HT ALA 507 -12.016 -10.243 -7.239
2 H2 ALA 507 2HT ALA 507 -12.009 -11.920 -6.876
3 H3 ALA 507 3HT ALA 507 -12.092 -10.767 -5.609
4 HA ALA 507 HA ALA 507 -14.127 -10.890 -7.703
5 HB1 ALA 507 1HB ALA 507 -14.525 -12.297 -5.107
6 HB2 ALA 507 2HB ALA 507 -13.656 -13.120 -6.402
7 HB3 ALA 507 3HB ALA 507 -15.308 -12.561 -6.666
8 H GLN 508 H GLN 508 -13.531 -10.509 -4.202
9 HA GLN 508 HA GLN 508 -14.340 -7.828 -4.087
10 HB2 GLN 508 2HB GLN 508 -16.492 -9.836 -3.896
11 HB3 GLN 508 1HB GLN 508 -16.493 -8.627 -2.620
12 HG2 GLN 508 2HG GLN 508 -16.106 -7.180 -4.960
13 HG3 GLN 508 1HG GLN 508 -17.305 -8.403 -5.378
14 HE21 GLN 508 1HE2 GLN 508 -18.944 -8.689 -3.446
15 HE22 GLN 508 2HE2 GLN 508 -19.650 -7.210 -2.901
16 HA PRO 509 HA PRO 509 -12.331 -9.859 -0.347
17 HB2 PRO 509 2HB PRO 509 -9.964 -8.547 -0.493
18 HB3 PRO 509 1HB PRO 509 -10.266 -10.068 -1.339
19 HG2 PRO 509 2HG PRO 509 -10.350 -7.266 -2.390
20 HG3 PRO 509 1HG PRO 509 -9.649 -8.719 -3.130
21 HD2 PRO 509 2HD PRO 509 -12.072 -7.737 -3.845
22 HD3 PRO 509 1HD PRO 509 -11.690 -9.470 -3.888
23 H LYS 510 H LYS 510 -10.900 -8.392 1.328
24 HA LYS 510 HA LYS 510 -12.238 -5.793 1.605
25 HB2 LYS 510 2HB LYS 510 -11.880 -7.716 3.904
26 HB3 LYS 510 1HB LYS 510 -12.740 -6.183 3.920
27 HG2 LYS 510 2HG LYS 510 -14.536 -7.519 3.707
28 HG3 LYS 510 1HG LYS 510 -14.114 -7.446 1.995
29 HD2 LYS 510 2HD LYS 510 -12.547 -9.496 2.809
30 HD3 LYS 510 1HD LYS 510 -13.919 -9.680 3.905
31 HE2 LYS 510 2HE LYS 510 -15.431 -9.979 2.141
32 HE3 LYS 510 1HE LYS 510 -14.306 -9.324 0.951
33 HZ1 LYS 510 3HZ LYS 510 -14.714 -11.920 1.295
34 HZ2 LYS 510 1HZ LYS 510 -13.429 -11.703 2.374
35 HZ3 LYS 510 2HZ LYS 510 -13.246 -11.286 0.746
36 H CYS 511 H CYS 511 -10.814 -4.221 1.920
37 HA CYS 511 HA CYS 511 -8.891 -3.106 2.408
38 HB2 CYS 511 2HB CYS 511 -9.374 -4.886 4.633
39 HB3 CYS 511 1HB CYS 511 -7.646 -4.652 4.398
40 H ASN 512 H ASN 512 -7.811 -3.461 0.484
41 HA ASN 512 HA ASN 512 -6.155 -5.831 0.232
42 HB2 ASN 512 2HB ASN 512 -6.464 -3.614 -1.788
43 HB3 ASN 512 1HB ASN 512 -5.812 -5.224 -2.057
44 HD21 ASN 512 1HD2 ASN 512 -8.757 -3.508 -1.111
45 HD22 ASN 512 2HD2 ASN 512 -9.852 -4.670 -1.766
46 HA PRO 513 HA PRO 513 -2.769 -2.568 0.518
47 HB2 PRO 513 2HB PRO 513 -3.383 0.015 0.008
48 HB3 PRO 513 1HB PRO 513 -3.215 -1.192 -1.269
49 HG2 PRO 513 2HG PRO 513 -5.617 0.174 -0.396
50 HG3 PRO 513 1HG PRO 513 -5.409 -0.924 -1.768
51 HD2 PRO 513 2HD PRO 513 -6.398 -1.492 0.961
52 HD3 PRO 513 1HD PRO 513 -6.703 -2.355 -0.559
53 H ASN 514 H ASN 514 -5.123 -2.698 2.608
54 HA ASN 514 HA ASN 514 -3.998 -0.670 4.422
55 HB2 ASN 514 2HB ASN 514 -6.798 -1.332 3.757
56 HB3 ASN 514 1HB ASN 514 -6.466 -1.172 5.478
57 HD21 ASN 514 1HD2 ASN 514 -6.551 0.459 2.404
58 HD22 ASN 514 2HD2 ASN 514 -6.475 2.065 3.033
59 H LEU 515 H LEU 515 -2.621 -2.806 4.436
60 HA LEU 515 HA LEU 515 -3.683 -4.581 6.523
61 HB2 LEU 515 2HB LEU 515 -1.296 -5.374 4.965
62 HB3 LEU 515 1HB LEU 515 -2.615 -6.352 5.572
63 HG LEU 515 HG LEU 515 -2.787 -6.470 3.236
64 HD11 LEU 515 1HD1 LEU 515 -4.781 -4.999 4.697
65 HD12 LEU 515 2HD1 LEU 515 -4.977 -6.206 3.428
66 HD13 LEU 515 3HD1 LEU 515 -4.762 -4.509 3.004
67 HD21 LEU 515 3HD2 LEU 515 -1.497 -3.984 3.268
68 HD22 LEU 515 1HD2 LEU 515 -3.040 -3.714 2.459
69 HD23 LEU 515 2HD2 LEU 515 -1.934 -4.950 1.858
70 H HIS 516 H HIS 516 -0.681 -2.996 5.422
71 HA HIS 516 HA HIS 516 0.053 -2.101 7.967
72 HB2 HIS 516 2HB HIS 516 1.471 -3.666 8.857
73 HB3 HIS 516 1HB HIS 516 0.342 -4.738 8.034
74 HD1 HIS 516 1HD HIS 516 1.213 -6.052 6.024
75 HD2 HIS 516 2HD HIS 516 3.976 -3.408 7.626
76 HE1 HIS 516 1HE HIS 516 3.365 -6.542 4.832
77 HE2 HIS 516 2HE HIS 516 5.035 -4.923 5.807
78 H TYR 517 H TYR 517 1.696 -3.524 5.135
79 HA TYR 517 HA TYR 517 3.871 -1.814 5.068
80 HB2 TYR 517 2HB TYR 517 3.313 -2.391 2.364
81 HB3 TYR 517 1HB TYR 517 4.505 -3.134 3.407
82 HD1 TYR 517 2HD TYR 517 0.774 -3.589 3.627
83 HD2 TYR 517 1HD TYR 517 4.535 -5.284 2.558
84 HE1 TYR 517 2HE TYR 517 -0.300 -5.768 3.305
85 HE2 TYR 517 1HE TYR 517 3.455 -7.464 2.221
86 HH TYR 517 HH TYR 517 0.652 -8.332 3.408
87 H TRP 518 H TRP 518 0.646 -1.034 4.283
88 HA TRP 518 HA TRP 518 1.603 1.409 2.948
89 HB2 TRP 518 2HB TRP 518 -1.160 0.500 2.382
90 HB3 TRP 518 1HB TRP 518 -0.004 1.280 1.335
91 HD1 TRP 518 HD TRP 518 1.100 -1.996 2.878
92 HE1 TRP 518 1HE TRP 518 1.149 -3.777 1.101
93 HE3 TRP 518 3HE TRP 518 -1.198 0.573 -0.887
94 HZ2 TRP 518 2HZ TRP 518 0.305 -4.128 -1.569
95 HZ3 TRP 518 3HZ TRP 518 -1.538 -0.573 -3.039
96 HH2 TRP 518 HH TRP 518 -0.797 -2.875 -3.373
97 H THR 519 H THR 519 -0.774 -0.045 5.063
98 HA THR 519 HA THR 519 -2.207 2.299 5.699
99 HB THR 519 HB THR 519 -3.123 0.096 6.140
100 HG1 THR 519 1HG THR 519 -3.730 0.434 8.337
101 HG21 THR 519 3HG2 THR 519 -0.659 -0.633 6.989
102 HG22 THR 519 1HG2 THR 519 -2.141 -1.537 7.300
103 HG23 THR 519 2HG2 THR 519 -1.510 -0.435 8.522
104 H THR 520 H THR 520 0.826 1.051 6.771
105 HA THR 520 HA THR 520 0.883 2.784 9.105
106 HB THR 520 HB THR 520 2.019 0.315 8.564
107 HG1 THR 520 1HG THR 520 1.547 1.030 10.611
108 HG21 THR 520 3HG2 THR 520 3.928 1.036 7.387
109 HG22 THR 520 1HG2 THR 520 4.462 0.743 9.042
110 HG23 THR 520 2HG2 THR 520 4.192 2.393 8.481
111 H GLN 521 H GLN 521 3.034 2.252 6.308
112 HA GLN 521 HA GLN 521 3.931 5.015 6.605
113 HB2 GLN 521 2HB GLN 521 5.901 4.441 5.459
114 HB3 GLN 521 1HB GLN 521 5.586 3.089 6.536
115 HG2 GLN 521 2HG GLN 521 5.152 1.652 4.839
116 HG3 GLN 521 1HG GLN 521 4.555 2.911 3.769
117 HE21 GLN 521 1HE2 GLN 521 6.601 4.695 3.655
118 HE22 GLN 521 2HE2 GLN 521 8.012 3.948 2.996
119 H ASP 522 H ASP 522 4.843 5.534 4.109
120 HA ASP 522 HA ASP 522 2.328 5.828 2.630
121 HB2 ASP 522 2HB ASP 522 4.701 7.502 3.038
122 HB3 ASP 522 1HB ASP 522 4.078 7.505 1.394
123 H GLU 523 H GLU 523 3.929 3.429 2.533
124 HA GLU 523 HA GLU 523 4.938 1.959 1.091
125 HB2 GLU 523 2HB GLU 523 3.444 3.243 -1.158
126 HB3 GLU 523 1HB GLU 523 3.693 1.538 -0.816
127 HG2 GLU 523 2HG GLU 523 2.008 1.494 0.799
128 HG3 GLU 523 1HG GLU 523 1.987 3.251 0.951
129 H GLY 524 H GLY 524 6.247 4.527 1.481
130 HA2 GLY 524 2HA GLY 524 8.494 4.421 0.050
131 HA3 GLY 524 1HA GLY 524 7.410 5.216 -1.084
132 H ALA 525 H ALA 525 5.968 6.423 1.251
133 HA ALA 525 HA ALA 525 5.894 8.607 1.938
134 HB1 ALA 525 1HB ALA 525 7.313 6.907 3.638
135 HB2 ALA 525 2HB ALA 525 6.389 8.346 4.069
136 HB3 ALA 525 3HB ALA 525 8.111 8.479 3.699
137 H ALA 526 H ALA 526 7.631 8.364 -0.413
138 HA ALA 526 HA ALA 526 9.288 9.466 -1.492
139 HB1 ALA 526 1HB ALA 526 8.471 11.995 -0.178
140 HB2 ALA 526 2HB ALA 526 7.245 11.098 -1.074
141 HB3 ALA 526 3HB ALA 526 8.714 11.639 -1.887
142 H ILE 527 H ILE 527 9.836 8.644 1.414
143 HA ILE 527 HA ILE 527 11.586 10.473 2.594
144 HB ILE 527 HB ILE 527 12.692 8.282 3.467
145 HG12 ILE 527 2HG1 ILE 527 11.108 7.160 1.521
146 HG13 ILE 527 1HG1 ILE 527 11.836 6.289 2.862
147 HG21 ILE 527 1HG2 ILE 527 10.738 7.992 5.054
148 HG22 ILE 527 2HG2 ILE 527 9.922 9.229 4.098
149 HG23 ILE 527 3HG2 ILE 527 11.429 9.609 4.930
150 HD11 ILE 527 3HD1 ILE 527 9.702 6.799 4.129
151 HD12 ILE 527 1HD1 ILE 527 9.594 5.648 2.795
152 HD13 ILE 527 2HD1 ILE 527 9.056 7.309 2.570
153 H GLY 528 H GLY 528 12.005 8.143 0.036
154 HA2 GLY 528 2HA GLY 528 14.096 9.378 -1.254
155 HA3 GLY 528 1HA GLY 528 14.870 8.339 -0.068
156 H LEU 529 H LEU 529 13.032 6.203 -0.155
157 HA LEU 529 HA LEU 529 12.498 4.307 -1.283
158 HB2 LEU 529 2HB LEU 529 12.880 6.075 -3.679
159 HB3 LEU 529 1HB LEU 529 12.407 4.395 -3.800
160 HG LEU 529 HG LEU 529 10.320 4.810 -2.720
161 HD11 LEU 529 1HD1 LEU 529 10.950 6.317 -0.987
162 HD12 LEU 529 2HD1 LEU 529 9.733 7.130 -1.973
163 HD13 LEU 529 3HD1 LEU 529 11.438 7.547 -2.152
164 HD21 LEU 529 3HD2 LEU 529 9.515 6.838 -4.173
165 HD22 LEU 529 1HD2 LEU 529 9.991 5.319 -4.931
166 HD23 LEU 529 2HD2 LEU 529 11.114 6.678 -4.900
167 H ALA 530 H ALA 530 15.462 5.903 -1.755
168 HA ALA 530 HA ALA 530 16.707 3.727 -3.141
169 HB1 ALA 530 1HB ALA 530 17.450 6.104 -3.372
170 HB2 ALA 530 2HB ALA 530 18.748 4.970 -2.997
171 HB3 ALA 530 3HB ALA 530 18.086 6.004 -1.730
172 H TRP 531 H TRP 531 15.981 4.490 0.055
173 HA TRP 531 HA TRP 531 18.020 3.017 1.401
174 HB2 TRP 531 2HB TRP 531 16.574 3.366 3.380
175 HB3 TRP 531 1HB TRP 531 16.800 4.864 2.482
176 HD1 TRP 531 HD TRP 531 14.702 5.302 0.600
177 HE1 TRP 531 1HE TRP 531 12.204 5.095 1.039
178 HE3 TRP 531 3HE TRP 531 14.857 2.340 4.761
179 HZ2 TRP 531 2HZ TRP 531 10.479 3.856 2.916
180 HZ3 TRP 531 3HZ TRP 531 12.733 1.693 5.823
181 HH2 TRP 531 HH TRP 531 10.590 2.436 4.919
182 H ILE 532 H ILE 532 15.308 2.153 -0.392
183 HA ILE 532 HA ILE 532 15.180 -0.485 0.891
184 HB ILE 532 HB ILE 532 12.784 -0.467 -0.072
185 HG12 ILE 532 2HG1 ILE 532 13.426 2.485 0.005
186 HG13 ILE 532 1HG1 ILE 532 12.912 1.553 -1.396
187 HG21 ILE 532 1HG2 ILE 532 13.617 1.189 2.300
188 HG22 ILE 532 2HG2 ILE 532 13.244 -0.537 2.286
189 HG23 ILE 532 3HG2 ILE 532 11.964 0.645 2.000
190 HD11 ILE 532 3HD1 ILE 532 10.740 1.183 -0.325
191 HD12 ILE 532 1HD1 ILE 532 11.095 2.896 -0.548
192 HD13 ILE 532 2HD1 ILE 532 11.265 2.160 1.045
193 HA PRO 533 HA PRO 533 16.741 -0.572 -3.653
194 HB2 PRO 533 2HB PRO 533 18.058 -2.850 -2.236
195 HB3 PRO 533 1HB PRO 533 18.692 -1.804 -3.510
196 HG2 PRO 533 2HG PRO 533 19.379 -1.443 -0.952
197 HG3 PRO 533 1HG PRO 533 19.144 -0.072 -2.051
198 HD2 PRO 533 2HD PRO 533 17.446 -1.009 0.184
199 HD3 PRO 533 1HD PRO 533 17.591 0.609 -0.527
200 H TYR 534 H TYR 534 15.738 -3.176 -1.440
201 HA TYR 534 HA TYR 534 14.401 -4.471 -3.725
202 HB2 TYR 534 2HB TYR 534 14.617 -6.582 -2.441
203 HB3 TYR 534 1HB TYR 534 16.171 -5.854 -2.835
204 HD1 TYR 534 2HD TYR 534 13.651 -5.910 -0.069
205 HD2 TYR 534 1HD TYR 534 17.756 -5.670 -1.165
206 HE1 TYR 534 2HE TYR 534 14.284 -5.972 2.306
207 HE2 TYR 534 1HE TYR 534 18.399 -5.732 1.207
208 HH TYR 534 HH TYR 534 17.248 -5.108 3.444
209 H PHE 535 H PHE 535 13.627 -2.516 -1.290
210 HA PHE 535 HA PHE 535 11.143 -3.958 -0.645
211 HB2 PHE 535 2HB PHE 535 12.422 -3.600 1.341
212 HB3 PHE 535 1HB PHE 535 12.703 -1.919 0.942
213 HD1 PHE 535 2HD PHE 535 10.683 -0.365 0.884
214 HD2 PHE 535 1HD PHE 535 10.618 -4.227 2.663
215 HE1 PHE 535 2HE PHE 535 8.711 0.284 2.202
216 HE2 PHE 535 1HE PHE 535 8.643 -3.586 3.987
217 HZ PHE 535 HZ PHE 535 7.691 -1.326 3.756
218 H GLY 536 H GLY 536 12.506 -1.079 -1.983
219 HA2 GLY 536 2HA GLY 536 9.804 0.096 -2.221
220 HA3 GLY 536 1HA GLY 536 11.292 1.029 -2.235
221 HA PRO 537 HA PRO 537 11.381 1.356 -6.626
222 HB2 PRO 537 2HB PRO 537 14.092 0.111 -6.397
223 HB3 PRO 537 1HB PRO 537 13.589 1.546 -7.296
224 HG2 PRO 537 2HG PRO 537 14.873 1.737 -4.949
225 HG3 PRO 537 1HG PRO 537 13.620 2.894 -5.425
226 HD2 PRO 537 2HD PRO 537 13.536 0.760 -3.391
227 HD3 PRO 537 1HD PRO 537 12.574 2.242 -3.509
228 H ALA 538 H ALA 538 12.815 -1.611 -5.296
229 HA ALA 538 HA ALA 538 12.231 -3.193 -7.608
230 HB1 ALA 538 1HB ALA 538 14.058 -3.614 -5.887
231 HB2 ALA 538 2HB ALA 538 13.125 -5.016 -6.413
232 HB3 ALA 538 3HB ALA 538 12.785 -4.264 -4.853
233 H ALA 539 H ALA 539 10.614 -2.438 -4.614
234 HA ALA 539 HA ALA 539 8.680 -4.495 -4.637
235 HB1 ALA 539 1HB ALA 539 8.616 -3.570 -2.592
236 HB2 ALA 539 2HB ALA 539 7.440 -2.473 -3.317
237 HB3 ALA 539 3HB ALA 539 9.129 -1.991 -3.182
238 H GLU 540 H GLU 540 6.495 -4.436 -5.233
239 HA GLU 540 HA GLU 540 5.699 -2.299 -7.085
240 HB2 GLU 540 2HB GLU 540 5.395 -5.267 -7.575
241 HB3 GLU 540 1HB GLU 540 4.695 -4.002 -8.579
242 HG2 GLU 540 2HG GLU 540 7.058 -3.154 -8.907
243 HG3 GLU 540 1HG GLU 540 7.591 -4.673 -8.187
244 H GLY 541 H GLY 541 4.809 -4.817 -4.838
245 HA2 GLY 541 2HA GLY 541 2.084 -3.684 -4.701
246 HA3 GLY 541 1HA GLY 541 2.449 -5.376 -4.386
247 H ILE 542 H ILE 542 4.491 -2.770 -3.320
248 HA ILE 542 HA ILE 542 3.466 -2.958 -0.587
249 HB ILE 542 HB ILE 542 6.425 -2.996 -0.892
250 HG12 ILE 542 2HG1 ILE 542 6.224 -5.582 -0.727
251 HG13 ILE 542 1HG1 ILE 542 4.636 -5.343 -1.450
252 HG21 ILE 542 1HG2 ILE 542 5.945 -2.894 1.318
253 HG22 ILE 542 2HG2 ILE 542 5.870 -4.647 1.136
254 HG23 ILE 542 3HG2 ILE 542 4.386 -3.694 1.129
255 HD11 ILE 542 3HD1 ILE 542 5.807 -5.621 -3.353
256 HD12 ILE 542 1HD1 ILE 542 7.320 -5.074 -2.633
257 HD13 ILE 542 2HD1 ILE 542 6.113 -3.895 -3.149
258 H TYR 543 H TYR 543 5.396 -1.362 -3.026
259 HA TYR 543 HA TYR 543 5.587 1.022 -1.369
260 HB2 TYR 543 2HB TYR 543 7.591 1.367 -2.332
261 HB3 TYR 543 1HB TYR 543 7.487 -0.323 -2.768
262 HD1 TYR 543 2HD TYR 543 6.120 -0.723 -5.044
263 HD2 TYR 543 1HD TYR 543 8.207 2.833 -3.999
264 HE1 TYR 543 2HE TYR 543 6.297 -0.137 -7.418
265 HE2 TYR 543 1HE TYR 543 8.397 3.432 -6.372
266 HH TYR 543 HH TYR 543 7.623 1.223 -8.893
267 H ILE 544 H ILE 544 4.313 -0.253 -4.351
268 HA ILE 544 HA ILE 544 3.194 0.703 -6.123
269 HB ILE 544 HB ILE 544 1.509 1.871 -3.936
270 HG12 ILE 544 2HG1 ILE 544 0.406 -0.519 -4.153
271 HG13 ILE 544 1HG1 ILE 544 2.043 -0.988 -4.594
272 HG21 ILE 544 1HG2 ILE 544 0.492 2.418 -5.911
273 HG22 ILE 544 2HG2 ILE 544 -0.244 0.846 -5.600
274 HG23 ILE 544 3HG2 ILE 544 1.094 0.983 -6.742
275 HD11 ILE 544 3HD1 ILE 544 1.601 -1.327 -2.223
276 HD12 ILE 544 1HD1 ILE 544 1.240 0.388 -2.043
277 HD13 ILE 544 2HD1 ILE 544 2.868 -0.130 -2.477
278 H GLU 545 H GLU 545 2.760 3.220 -3.675
279 HA GLU 545 HA GLU 545 3.171 5.452 -3.665
280 HB2 GLU 545 2HB GLU 545 4.825 5.018 -6.145
281 HB3 GLU 545 1HB GLU 545 4.930 6.357 -5.007
282 HG2 GLU 545 2HG GLU 545 5.515 4.614 -3.259
283 HG3 GLU 545 1HG GLU 545 5.749 3.504 -4.607
284 H GLY 546 H GLY 546 0.904 4.365 -4.954
285 HA2 GLY 546 2HA GLY 546 0.285 6.618 -6.728
286 HA3 GLY 546 1HA GLY 546 -0.050 4.988 -7.290
287 H LEU 547 H LEU 547 -0.536 4.917 -4.024
288 HA LEU 547 HA LEU 547 -3.262 5.973 -4.113
289 HB2 LEU 547 2HB LEU 547 -4.312 3.950 -3.493
290 HB3 LEU 547 1HB LEU 547 -3.329 3.620 -4.905
291 HG LEU 547 HG LEU 547 -2.339 3.031 -2.129
292 HD11 LEU 547 1HD1 LEU 547 -3.832 1.130 -3.930
293 HD12 LEU 547 2HD1 LEU 547 -4.505 1.890 -2.487
294 HD13 LEU 547 3HD1 LEU 547 -3.146 0.775 -2.345
295 HD21 LEU 547 3HD2 LEU 547 -0.589 2.977 -3.696
296 HD22 LEU 547 1HD2 LEU 547 -1.586 2.176 -4.909
297 HD23 LEU 547 2HD2 LEU 547 -1.060 1.293 -3.476
298 H MET 548 H MET 548 -0.459 5.510 -2.381
299 HA MET 548 HA MET 548 -1.634 5.271 0.220
300 HB2 MET 548 2HB MET 548 0.867 6.101 0.813
301 HB3 MET 548 1HB MET 548 0.434 4.431 0.510
302 HG2 MET 548 2HG MET 548 2.390 4.824 -0.707
303 HG3 MET 548 1HG MET 548 1.103 4.829 -1.900
304 HE1 MET 548 3HE MET 548 2.018 7.468 -3.931
305 HE2 MET 548 1HE MET 548 0.440 7.740 -3.193
306 HE3 MET 548 2HE MET 548 0.987 6.098 -3.526
307 H HIS 549 H HIS 549 -3.106 7.056 -0.003
308 HA HIS 549 HA HIS 549 -1.859 9.558 0.885
309 HB2 HIS 549 2HB HIS 549 -4.301 9.976 -0.684
310 HB3 HIS 549 1HB HIS 549 -2.771 10.842 -0.735
311 HD1 HIS 549 1HD HIS 549 -4.797 9.264 -2.989
312 HD2 HIS 549 2HD HIS 549 -0.791 8.717 -2.033
313 HE1 HIS 549 1HE HIS 549 -3.774 8.152 -4.997
314 HE2 HIS 549 2HE HIS 549 -1.328 7.925 -4.437
315 H ASN 550 H ASN 550 -3.175 7.322 2.257
316 HA ASN 550 HA ASN 550 -4.641 6.970 3.957
317 HB2 ASN 550 2HB ASN 550 -4.912 9.982 3.921
318 HB3 ASN 550 1HB ASN 550 -5.424 8.916 5.225
319 HD21 ASN 550 1HD2 ASN 550 -3.142 11.026 4.433
320 HD22 ASN 550 2HD2 ASN 550 -1.792 10.388 5.303
321 H GLN 551 H GLN 551 -6.138 5.875 2.671
322 HA GLN 551 HA GLN 551 -8.486 7.462 1.893
323 HB2 GLN 551 2HB GLN 551 -8.569 5.014 0.493
324 HB3 GLN 551 1HB GLN 551 -8.341 6.625 -0.165
325 HG2 GLN 551 2HG GLN 551 -6.393 5.887 -0.924
326 HG3 GLN 551 1HG GLN 551 -5.822 5.953 0.739
327 HE21 GLN 551 1HE2 GLN 551 -5.898 4.019 1.996
328 HE22 GLN 551 2HE2 GLN 551 -5.868 2.469 1.233
329 H ASP 552 H ASP 552 -7.992 3.997 2.134
330 HA ASP 552 HA ASP 552 -9.003 2.369 3.359
331 HB2 ASP 552 2HB ASP 552 -8.456 4.217 5.217
332 HB3 ASP 552 1HB ASP 552 -10.214 4.292 5.287
333 H GLY 553 H GLY 553 -10.376 4.031 1.282
334 HA2 GLY 553 2HA GLY 553 -13.130 3.210 1.952
335 HA3 GLY 553 1HA GLY 553 -12.803 4.759 1.188
336 H LEU 554 H LEU 554 -10.710 3.779 -0.517
337 HA LEU 554 HA LEU 554 -12.340 2.734 -2.653
338 HB2 LEU 554 2HB LEU 554 -10.323 3.028 -4.007
339 HB3 LEU 554 1HB LEU 554 -10.728 4.478 -3.110
340 HG LEU 554 HG LEU 554 -8.964 3.212 -1.407
341 HD11 LEU 554 1HD1 LEU 554 -8.640 1.800 -3.694
342 HD12 LEU 554 2HD1 LEU 554 -7.368 2.066 -2.505
343 HD13 LEU 554 3HD1 LEU 554 -7.464 3.090 -3.936
344 HD21 LEU 554 3HD2 LEU 554 -8.601 5.350 -3.492
345 HD22 LEU 554 1HD2 LEU 554 -7.318 4.903 -2.367
346 HD23 LEU 554 2HD2 LEU 554 -8.847 5.535 -1.756
347 H ILE 555 H ILE 555 -10.880 1.272 -0.139
348 HA ILE 555 HA ILE 555 -10.544 -1.231 -1.608
349 HB ILE 555 HB ILE 555 -8.542 -1.792 -0.292
350 HG12 ILE 555 2HG1 ILE 555 -8.928 -0.289 1.623
351 HG13 ILE 555 1HG1 ILE 555 -7.334 -0.066 0.933
352 HG21 ILE 555 1HG2 ILE 555 -7.316 0.477 -1.401
353 HG22 ILE 555 2HG2 ILE 555 -8.699 0.095 -2.428
354 HG23 ILE 555 3HG2 ILE 555 -7.470 -1.132 -2.108
355 HD11 ILE 555 3HD1 ILE 555 -9.534 1.811 1.173
356 HD12 ILE 555 1HD1 ILE 555 -8.777 1.787 -0.418
357 HD13 ILE 555 2HD1 ILE 555 -7.802 2.094 1.016
358 H CYS 556 H CYS 556 -10.765 0.393 1.512
359 HA CYS 556 HA CYS 556 -11.967 -2.029 2.640
360 HB2 CYS 556 2HB CYS 556 -9.839 -0.544 3.570
361 HB3 CYS 556 1HB CYS 556 -11.183 0.077 4.523
362 H GLY 557 H GLY 557 -14.100 -1.977 2.939
363 HA2 GLY 557 2HA GLY 557 -15.388 0.383 3.994
364 HA3 GLY 557 1HA GLY 557 -15.850 -0.002 2.345
365 H LEU 558 H LEU 558 -16.558 -2.341 2.015
366 HA LEU 558 HA LEU 558 -17.897 -3.388 4.400
367 HB2 LEU 558 2HB LEU 558 -19.968 -3.748 3.170
368 HB3 LEU 558 1HB LEU 558 -19.553 -2.048 3.239
369 HG LEU 558 HG LEU 558 -18.922 -3.738 0.831
370 HD11 LEU 558 1HD1 LEU 558 -21.457 -3.444 1.682
371 HD12 LEU 558 2HD1 LEU 558 -20.994 -3.532 -0.017
372 HD13 LEU 558 3HD1 LEU 558 -21.267 -1.964 0.742
373 HD21 LEU 558 3HD2 LEU 558 -17.835 -1.853 0.320
374 HD22 LEU 558 1HD2 LEU 558 -18.636 -0.935 1.595
375 HD23 LEU 558 2HD2 LEU 558 -19.433 -1.166 0.038
376 H ARG 559 H ARG 559 -17.011 -4.007 1.004
377 HA ARG 559 HA ARG 559 -15.774 -6.448 1.504
378 HB2 ARG 559 2HB ARG 559 -17.420 -8.062 0.689
379 HB3 ARG 559 1HB ARG 559 -18.026 -7.233 2.117
380 HG2 ARG 559 2HG ARG 559 -18.726 -5.929 -0.399
381 HG3 ARG 559 1HG ARG 559 -19.395 -7.555 -0.216
382 HD2 ARG 559 2HD ARG 559 -19.659 -5.322 1.794
383 HD3 ARG 559 1HD ARG 559 -20.902 -5.794 0.638
384 HE ARG 559 HE ARG 559 -20.164 -7.169 3.071
385 HH11 ARG 559 1HH1 ARG 559 -21.787 -7.404 -0.012
386 HH12 ARG 559 2HH1 ARG 559 -22.784 -8.732 0.475
387 HH21 ARG 559 1HH2 ARG 559 -21.474 -8.915 3.710
388 HH22 ARG 559 2HH2 ARG 559 -22.608 -9.590 2.587
389 H GLN 560 H GLN 560 -15.393 -4.200 -0.101
390 HA GLN 560 HA GLN 560 -15.751 -5.181 -2.836
391 HB2 GLN 560 2HB GLN 560 -15.416 -2.973 -3.597
392 HB3 GLN 560 1HB GLN 560 -16.436 -2.829 -2.174
393 HG2 GLN 560 2HG GLN 560 -13.778 -2.652 -1.274
394 HG3 GLN 560 1HG GLN 560 -13.897 -1.636 -2.709
395 HE21 GLN 560 1HE2 GLN 560 -15.492 -2.337 0.363
396 HE22 GLN 560 2HE2 GLN 560 -16.054 -0.728 0.640
Start of MODEL 12
1 H1 ALA 507 1HT ALA 507 -12.637 -9.715 -8.702
2 H2 ALA 507 2HT ALA 507 -13.282 -10.269 -7.212
3 H3 ALA 507 3HT ALA 507 -11.839 -9.339 -7.233
4 HA ALA 507 HA ALA 507 -12.908 -7.421 -7.762
5 HB1 ALA 507 1HB ALA 507 -14.765 -9.235 -9.049
6 HB2 ALA 507 2HB ALA 507 -14.413 -7.542 -9.398
7 HB3 ALA 507 3HB ALA 507 -15.597 -7.960 -8.158
8 H GLN 508 H GLN 508 -12.601 -9.113 -5.386
9 HA GLN 508 HA GLN 508 -14.322 -7.612 -3.636
10 HB2 GLN 508 2HB GLN 508 -14.809 -10.489 -4.196
11 HB3 GLN 508 1HB GLN 508 -14.918 -9.974 -2.519
12 HG2 GLN 508 2HG GLN 508 -16.433 -8.086 -3.549
13 HG3 GLN 508 1HG GLN 508 -16.633 -9.272 -4.839
14 HE21 GLN 508 1HE2 GLN 508 -17.107 -8.636 -1.433
15 HE22 GLN 508 2HE2 GLN 508 -18.298 -9.859 -1.172
16 HA PRO 509 HA PRO 509 -10.137 -9.118 -2.029
17 HB2 PRO 509 2HB PRO 509 -8.766 -6.801 -2.181
18 HB3 PRO 509 1HB PRO 509 -8.864 -7.926 -3.540
19 HG2 PRO 509 2HG PRO 509 -10.419 -5.414 -3.047
20 HG3 PRO 509 1HG PRO 509 -9.680 -5.995 -4.551
21 HD2 PRO 509 2HD PRO 509 -12.332 -6.264 -3.989
22 HD3 PRO 509 1HD PRO 509 -11.434 -7.406 -5.010
23 H LYS 510 H LYS 510 -10.139 -9.205 0.123
24 HA LYS 510 HA LYS 510 -11.586 -7.280 1.689
25 HB2 LYS 510 2HB LYS 510 -9.831 -9.510 2.712
26 HB3 LYS 510 1HB LYS 510 -11.144 -8.707 3.560
27 HG2 LYS 510 2HG LYS 510 -12.374 -10.452 2.921
28 HG3 LYS 510 1HG LYS 510 -12.409 -9.668 1.340
29 HD2 LYS 510 2HD LYS 510 -10.780 -11.066 0.468
30 HD3 LYS 510 1HD LYS 510 -10.142 -11.481 2.060
31 HE2 LYS 510 2HE LYS 510 -12.678 -12.428 2.248
32 HE3 LYS 510 1HE LYS 510 -12.351 -12.675 0.533
33 HZ1 LYS 510 3HZ LYS 510 -10.757 -13.710 2.814
34 HZ2 LYS 510 1HZ LYS 510 -10.294 -13.846 1.192
35 HZ3 LYS 510 2HZ LYS 510 -11.697 -14.616 1.738
36 H CYS 511 H CYS 511 -10.449 -5.343 1.385
37 HA CYS 511 HA CYS 511 -8.953 -3.718 1.908
38 HB2 CYS 511 2HB CYS 511 -8.051 -5.606 4.090
39 HB3 CYS 511 1HB CYS 511 -7.806 -3.862 4.037
40 H ASN 512 H ASN 512 -7.338 -3.275 0.612
41 HA ASN 512 HA ASN 512 -5.270 -5.298 0.172
42 HB2 ASN 512 2HB ASN 512 -5.871 -2.959 -1.632
43 HB3 ASN 512 1HB ASN 512 -4.848 -4.342 -1.978
44 HD21 ASN 512 1HD2 ASN 512 -8.195 -3.672 -0.951
45 HD22 ASN 512 2HD2 ASN 512 -8.914 -4.850 -1.978
46 HA PRO 513 HA PRO 513 -2.750 -1.473 1.236
47 HB2 PRO 513 2HB PRO 513 -3.814 0.975 0.810
48 HB3 PRO 513 1HB PRO 513 -3.237 -0.050 -0.509
49 HG2 PRO 513 2HG PRO 513 -5.957 0.736 0.074
50 HG3 PRO 513 1HG PRO 513 -5.352 -0.198 -1.303
51 HD2 PRO 513 2HD PRO 513 -6.525 -1.151 1.250
52 HD3 PRO 513 1HD PRO 513 -6.495 -1.928 -0.345
53 H ASN 514 H ASN 514 -5.348 -2.198 2.929
54 HA ASN 514 HA ASN 514 -4.857 -0.167 5.000
55 HB2 ASN 514 2HB ASN 514 -7.403 -1.299 3.939
56 HB3 ASN 514 1HB ASN 514 -7.319 -0.973 5.668
57 HD21 ASN 514 1HD2 ASN 514 -7.693 0.366 2.549
58 HD22 ASN 514 2HD2 ASN 514 -7.770 2.025 3.021
59 H LEU 515 H LEU 515 -3.196 -2.160 5.051
60 HA LEU 515 HA LEU 515 -4.239 -4.053 7.050
61 HB2 LEU 515 2HB LEU 515 -1.740 -4.810 5.726
62 HB3 LEU 515 1HB LEU 515 -3.157 -5.771 6.083
63 HG LEU 515 HG LEU 515 -2.860 -5.780 3.728
64 HD11 LEU 515 1HD1 LEU 515 -4.927 -4.000 3.252
65 HD12 LEU 515 2HD1 LEU 515 -5.159 -4.502 4.926
66 HD13 LEU 515 3HD1 LEU 515 -5.074 -5.711 3.646
67 HD21 LEU 515 3HD2 LEU 515 -1.799 -3.215 4.108
68 HD22 LEU 515 1HD2 LEU 515 -3.209 -3.005 3.069
69 HD23 LEU 515 2HD2 LEU 515 -1.923 -4.116 2.597
70 H HIS 516 H HIS 516 -1.003 -2.957 6.006
71 HA HIS 516 HA HIS 516 -0.475 -1.741 8.552
72 HB2 HIS 516 2HB HIS 516 0.995 -3.244 9.491
73 HB3 HIS 516 1HB HIS 516 -0.163 -4.339 8.742
74 HD1 HIS 516 1HD HIS 516 0.616 -5.620 6.632
75 HD2 HIS 516 2HD HIS 516 3.515 -3.205 8.354
76 HE1 HIS 516 1HE HIS 516 2.752 -6.217 5.467
77 HE2 HIS 516 2HE HIS 516 4.503 -4.729 6.502
78 H TYR 517 H TYR 517 1.238 -3.169 5.757
79 HA TYR 517 HA TYR 517 3.421 -1.470 5.705
80 HB2 TYR 517 2HB TYR 517 2.674 -1.987 2.987
81 HB3 TYR 517 1HB TYR 517 4.036 -2.606 3.893
82 HD1 TYR 517 2HD TYR 517 0.359 -3.398 4.244
83 HD2 TYR 517 1HD TYR 517 4.257 -4.785 3.238
84 HE1 TYR 517 2HE TYR 517 -0.523 -5.667 3.979
85 HE2 TYR 517 1HE TYR 517 3.373 -7.059 2.952
86 HH TYR 517 HH TYR 517 1.174 -8.134 2.453
87 H TRP 518 H TRP 518 0.240 -0.547 5.194
88 HA TRP 518 HA TRP 518 1.112 1.836 3.703
89 HB2 TRP 518 2HB TRP 518 -1.694 0.794 3.585
90 HB3 TRP 518 1HB TRP 518 -0.830 1.761 2.411
91 HD1 TRP 518 HD TRP 518 0.181 -1.680 3.830
92 HE1 TRP 518 1HE TRP 518 0.478 -3.282 1.886
93 HE3 TRP 518 3HE TRP 518 -1.279 1.399 0.031
94 HZ2 TRP 518 2HZ TRP 518 0.097 -3.295 -0.913
95 HZ3 TRP 518 3HZ TRP 518 -1.291 0.505 -2.261
96 HH2 TRP 518 HH TRP 518 -0.614 -1.795 -2.723
97 H THR 519 H THR 519 -1.191 0.500 5.972
98 HA THR 519 HA THR 519 -2.383 2.899 6.808
99 HB THR 519 HB THR 519 -3.303 0.648 7.264
100 HG1 THR 519 1HG THR 519 -3.800 2.562 8.590
101 HG21 THR 519 3HG2 THR 519 -2.277 -0.925 8.446
102 HG22 THR 519 1HG2 THR 519 -1.801 0.211 9.706
103 HG23 THR 519 2HG2 THR 519 -0.813 0.041 8.253
104 H THR 520 H THR 520 0.580 1.349 7.730
105 HA THR 520 HA THR 520 0.980 3.017 10.052
106 HB THR 520 HB THR 520 2.194 0.635 8.940
107 HG1 THR 520 1HG THR 520 1.249 1.062 11.082
108 HG21 THR 520 3HG2 THR 520 4.082 2.803 9.802
109 HG22 THR 520 1HG2 THR 520 4.162 1.780 8.367
110 HG23 THR 520 2HG2 THR 520 4.471 1.090 9.961
111 H GLN 521 H GLN 521 2.920 2.528 7.107
112 HA GLN 521 HA GLN 521 3.902 5.262 7.406
113 HB2 GLN 521 2HB GLN 521 5.784 4.637 6.134
114 HB3 GLN 521 1HB GLN 521 5.475 3.278 7.205
115 HG2 GLN 521 2HG GLN 521 4.763 1.916 5.492
116 HG3 GLN 521 1HG GLN 521 4.359 3.269 4.445
117 HE21 GLN 521 1HE2 GLN 521 6.426 4.737 4.057
118 HE22 GLN 521 2HE2 GLN 521 7.816 3.850 3.534
119 H ASP 522 H ASP 522 4.744 5.590 4.738
120 HA ASP 522 HA ASP 522 2.162 6.208 3.498
121 HB2 ASP 522 2HB ASP 522 4.868 7.433 3.394
122 HB3 ASP 522 1HB ASP 522 3.795 7.643 2.017
123 H GLU 523 H GLU 523 3.268 3.586 3.330
124 HA GLU 523 HA GLU 523 3.897 1.937 1.859
125 HB2 GLU 523 2HB GLU 523 2.386 3.510 -0.209
126 HB3 GLU 523 1HB GLU 523 2.499 1.766 -0.023
127 HG2 GLU 523 2HG GLU 523 0.850 1.683 1.478
128 HG3 GLU 523 1HG GLU 523 1.336 3.188 2.256
129 H GLY 524 H GLY 524 5.712 4.066 2.129
130 HA2 GLY 524 2HA GLY 524 7.803 3.666 0.638
131 HA3 GLY 524 1HA GLY 524 6.796 4.467 -0.562
132 H ALA 525 H ALA 525 5.532 6.314 1.113
133 HA ALA 525 HA ALA 525 5.797 8.437 1.865
134 HB1 ALA 525 1HB ALA 525 8.318 8.210 3.193
135 HB2 ALA 525 2HB ALA 525 7.329 6.783 3.502
136 HB3 ALA 525 3HB ALA 525 6.703 8.387 3.883
137 H ALA 526 H ALA 526 7.573 7.330 -0.541
138 HA ALA 526 HA ALA 526 9.141 8.152 -1.960
139 HB1 ALA 526 1HB ALA 526 8.369 10.938 -1.325
140 HB2 ALA 526 2HB ALA 526 7.095 9.853 -1.881
141 HB3 ALA 526 3HB ALA 526 8.518 10.131 -2.886
142 H ILE 527 H ILE 527 9.699 8.118 1.072
143 HA ILE 527 HA ILE 527 11.409 10.175 1.782
144 HB ILE 527 HB ILE 527 12.614 8.150 3.052
145 HG12 ILE 527 2HG1 ILE 527 11.107 6.359 3.568
146 HG13 ILE 527 1HG1 ILE 527 9.815 7.110 2.641
147 HG21 ILE 527 1HG2 ILE 527 10.512 8.427 4.680
148 HG22 ILE 527 2HG2 ILE 527 10.236 9.792 3.598
149 HG23 ILE 527 3HG2 ILE 527 11.756 9.660 4.482
150 HD11 ILE 527 3HD1 ILE 527 12.361 6.314 1.303
151 HD12 ILE 527 1HD1 ILE 527 10.747 6.505 0.619
152 HD13 ILE 527 2HD1 ILE 527 11.109 5.120 1.644
153 H GLY 528 H GLY 528 11.948 7.584 -0.461
154 HA2 GLY 528 2HA GLY 528 14.198 8.729 -1.615
155 HA3 GLY 528 1HA GLY 528 14.795 7.618 -0.394
156 H LEU 529 H LEU 529 13.189 5.478 -0.578
157 HA LEU 529 HA LEU 529 12.596 3.637 -1.782
158 HB2 LEU 529 2HB LEU 529 12.985 5.470 -4.123
159 HB3 LEU 529 1HB LEU 529 12.554 3.786 -4.302
160 HG LEU 529 HG LEU 529 10.439 4.118 -3.264
161 HD11 LEU 529 1HD1 LEU 529 11.423 6.886 -2.590
162 HD12 LEU 529 2HD1 LEU 529 11.079 5.578 -1.458
163 HD13 LEU 529 3HD1 LEU 529 9.765 6.323 -2.368
164 HD21 LEU 529 3HD2 LEU 529 9.908 4.770 -5.341
165 HD22 LEU 529 1HD2 LEU 529 11.288 5.861 -5.457
166 HD23 LEU 529 2HD2 LEU 529 9.813 6.386 -4.644
167 H ALA 530 H ALA 530 15.553 5.264 -2.191
168 HA ALA 530 HA ALA 530 16.828 3.118 -3.609
169 HB1 ALA 530 1HB ALA 530 18.929 4.363 -3.153
170 HB2 ALA 530 2HB ALA 530 17.996 5.514 -2.195
171 HB3 ALA 530 3HB ALA 530 17.689 5.352 -3.924
172 H TRP 531 H TRP 531 16.306 4.065 -0.355
173 HA TRP 531 HA TRP 531 18.214 2.480 0.986
174 HB2 TRP 531 2HB TRP 531 16.813 2.911 2.958
175 HB3 TRP 531 1HB TRP 531 16.976 4.382 2.004
176 HD1 TRP 531 HD TRP 531 14.796 4.221 -0.071
177 HE1 TRP 531 1HE TRP 531 12.332 4.147 0.525
178 HE3 TRP 531 3HE TRP 531 15.188 2.545 4.741
179 HZ2 TRP 531 2HZ TRP 531 10.710 3.480 2.756
180 HZ3 TRP 531 3HZ TRP 531 13.124 2.218 6.041
181 HH2 TRP 531 HH TRP 531 10.932 2.677 5.067
182 H ILE 532 H ILE 532 15.350 1.707 -0.691
183 HA ILE 532 HA ILE 532 15.246 -0.946 0.562
184 HB ILE 532 HB ILE 532 12.804 -0.881 -0.171
185 HG12 ILE 532 2HG1 ILE 532 13.545 2.029 -0.438
186 HG13 ILE 532 1HG1 ILE 532 12.760 1.005 -1.628
187 HG21 ILE 532 1HG2 ILE 532 13.490 -0.786 2.148
188 HG22 ILE 532 2HG2 ILE 532 12.159 0.343 1.885
189 HG23 ILE 532 3HG2 ILE 532 13.817 0.943 2.003
190 HD11 ILE 532 3HD1 ILE 532 10.749 0.948 -0.298
191 HD12 ILE 532 1HD1 ILE 532 11.234 2.619 -0.582
192 HD13 ILE 532 2HD1 ILE 532 11.541 1.866 0.982
193 HA PRO 533 HA PRO 533 16.485 -1.156 -4.043
194 HB2 PRO 533 2HB PRO 533 17.791 -3.506 -2.742
195 HB3 PRO 533 1HB PRO 533 18.392 -2.455 -4.031
196 HG2 PRO 533 2HG PRO 533 19.264 -2.181 -1.528
197 HG3 PRO 533 1HG PRO 533 18.985 -0.768 -2.562
198 HD2 PRO 533 2HD PRO 533 17.389 -1.783 -0.271
199 HD3 PRO 533 1HD PRO 533 17.598 -0.124 -0.860
200 H TYR 534 H TYR 534 15.376 -3.612 -1.726
201 HA TYR 534 HA TYR 534 13.865 -4.864 -3.928
202 HB2 TYR 534 2HB TYR 534 14.048 -6.991 -2.624
203 HB3 TYR 534 1HB TYR 534 15.586 -6.379 -3.226
204 HD1 TYR 534 1HD TYR 534 13.445 -6.115 -0.158
205 HD2 TYR 534 2HD TYR 534 17.373 -6.395 -1.775
206 HE1 TYR 534 1HE TYR 534 14.371 -6.194 2.116
207 HE2 TYR 534 2HE TYR 534 18.307 -6.475 0.497
208 HH TYR 534 HH TYR 534 17.528 -7.120 2.788
209 H PHE 535 H PHE 535 13.379 -2.905 -1.419
210 HA PHE 535 HA PHE 535 10.910 -4.257 -0.563
211 HB2 PHE 535 2HB PHE 535 12.330 -3.908 1.307
212 HB3 PHE 535 1HB PHE 535 12.670 -2.256 0.843
213 HD1 PHE 535 2HD PHE 535 10.730 -0.595 0.892
214 HD2 PHE 535 1HD PHE 535 10.623 -4.397 2.796
215 HE1 PHE 535 2HE PHE 535 8.913 0.194 2.347
216 HE2 PHE 535 1HE PHE 535 8.803 -3.615 4.260
217 HZ PHE 535 HZ PHE 535 7.951 -1.314 4.035
218 H GLY 536 H GLY 536 12.230 -1.402 -2.021
219 HA2 GLY 536 2HA GLY 536 9.526 -0.206 -2.109
220 HA3 GLY 536 1HA GLY 536 11.015 0.713 -2.224
221 HA PRO 537 HA PRO 537 10.891 1.023 -6.615
222 HB2 PRO 537 2HB PRO 537 13.544 -0.361 -6.509
223 HB3 PRO 537 1HB PRO 537 13.069 1.086 -7.406
224 HG2 PRO 537 2HG PRO 537 14.473 1.230 -5.113
225 HG3 PRO 537 1HG PRO 537 13.285 2.461 -5.570
226 HD2 PRO 537 2HD PRO 537 13.150 0.423 -3.459
227 HD3 PRO 537 1HD PRO 537 12.234 1.928 -3.629
228 H ALA 538 H ALA 538 12.249 -2.012 -5.353
229 HA ALA 538 HA ALA 538 11.445 -3.564 -7.618
230 HB1 ALA 538 1HB ALA 538 13.358 -4.091 -6.046
231 HB2 ALA 538 2HB ALA 538 12.296 -5.439 -6.453
232 HB3 ALA 538 3HB ALA 538 12.139 -4.634 -4.892
233 H ALA 539 H ALA 539 10.103 -2.832 -4.464
234 HA ALA 539 HA ALA 539 8.072 -4.743 -4.330
235 HB1 ALA 539 1HB ALA 539 8.066 -3.718 -2.344
236 HB2 ALA 539 2HB ALA 539 6.975 -2.557 -3.101
237 HB3 ALA 539 3HB ALA 539 8.702 -2.217 -3.015
238 H GLU 540 H GLU 540 5.786 -4.493 -4.684
239 HA GLU 540 HA GLU 540 5.047 -2.533 -6.742
240 HB2 GLU 540 2HB GLU 540 4.300 -5.462 -6.836
241 HB3 GLU 540 1HB GLU 540 3.853 -4.231 -8.010
242 HG2 GLU 540 2HG GLU 540 5.912 -4.194 -8.970
243 HG3 GLU 540 1HG GLU 540 6.738 -4.647 -7.479
244 H GLY 541 H GLY 541 4.101 -4.714 -4.184
245 HA2 GLY 541 2HA GLY 541 1.538 -3.267 -3.941
246 HA3 GLY 541 1HA GLY 541 1.741 -4.960 -3.505
247 H ILE 542 H ILE 542 4.010 -2.369 -2.853
248 HA ILE 542 HA ILE 542 3.262 -2.259 -0.040
249 HB ILE 542 HB ILE 542 6.159 -2.694 -0.620
250 HG12 ILE 542 2HG1 ILE 542 5.685 -5.174 -0.038
251 HG13 ILE 542 1HG1 ILE 542 4.045 -4.829 -0.584
252 HG21 ILE 542 1HG2 ILE 542 5.635 -3.957 1.697
253 HG22 ILE 542 2HG2 ILE 542 4.334 -2.768 1.696
254 HG23 ILE 542 3HG2 ILE 542 6.012 -2.238 1.586
255 HD11 ILE 542 3HD1 ILE 542 4.834 -5.440 -2.586
256 HD12 ILE 542 1HD1 ILE 542 6.512 -5.175 -2.118
257 HD13 ILE 542 2HD1 ILE 542 5.517 -3.810 -2.631
258 H TYR 543 H TYR 543 5.262 -1.196 -2.719
259 HA TYR 543 HA TYR 543 5.810 1.314 -1.378
260 HB2 TYR 543 2HB TYR 543 7.727 1.336 -2.553
261 HB3 TYR 543 1HB TYR 543 7.400 -0.365 -2.808
262 HD1 TYR 543 2HD TYR 543 5.879 -0.889 -4.884
263 HD2 TYR 543 1HD TYR 543 8.173 2.658 -4.396
264 HE1 TYR 543 2HE TYR 543 5.840 -0.539 -7.308
265 HE2 TYR 543 1HE TYR 543 8.151 3.022 -6.822
266 HH TYR 543 HH TYR 543 7.257 0.659 -9.027
267 H ILE 544 H ILE 544 4.183 -0.106 -4.109
268 HA ILE 544 HA ILE 544 3.006 0.773 -5.881
269 HB ILE 544 HB ILE 544 1.538 2.244 -3.728
270 HG12 ILE 544 2HG1 ILE 544 0.342 -0.111 -3.563
271 HG13 ILE 544 1HG1 ILE 544 1.935 -0.696 -4.032
272 HG21 ILE 544 1HG2 ILE 544 0.793 0.850 -6.278
273 HG22 ILE 544 2HG2 ILE 544 0.549 2.539 -5.836
274 HG23 ILE 544 3HG2 ILE 544 -0.406 1.278 -5.058
275 HD11 ILE 544 3HD1 ILE 544 1.768 -0.739 -1.652
276 HD12 ILE 544 1HD1 ILE 544 1.236 0.941 -1.608
277 HD13 ILE 544 2HD1 ILE 544 2.880 0.549 -2.101
278 H GLU 545 H GLU 545 2.877 3.503 -3.639
279 HA GLU 545 HA GLU 545 3.367 5.707 -3.864
280 HB2 GLU 545 2HB GLU 545 4.903 4.974 -6.351
281 HB3 GLU 545 1HB GLU 545 5.130 6.385 -5.322
282 HG2 GLU 545 2HG GLU 545 5.647 4.708 -3.467
283 HG3 GLU 545 1HG GLU 545 5.820 3.528 -4.763
284 H GLY 546 H GLY 546 1.363 6.474 -4.255
285 HA2 GLY 546 2HA GLY 546 0.585 8.044 -6.171
286 HA3 GLY 546 1HA GLY 546 0.394 6.522 -7.025
287 H LEU 547 H LEU 547 -0.328 5.577 -4.049
288 HA LEU 547 HA LEU 547 -3.132 6.500 -4.171
289 HB2 LEU 547 2HB LEU 547 -3.975 4.365 -3.979
290 HB3 LEU 547 1HB LEU 547 -2.611 4.133 -5.054
291 HG LEU 547 HG LEU 547 -2.610 3.554 -2.091
292 HD11 LEU 547 1HD1 LEU 547 -3.831 2.074 -4.007
293 HD12 LEU 547 2HD1 LEU 547 -3.131 1.414 -2.528
294 HD13 LEU 547 3HD1 LEU 547 -2.207 1.386 -4.031
295 HD21 LEU 547 3HD2 LEU 547 -0.440 2.394 -2.732
296 HD22 LEU 547 1HD2 LEU 547 -0.419 4.158 -2.683
297 HD23 LEU 547 2HD2 LEU 547 -0.517 3.320 -4.231
298 H MET 548 H MET 548 -0.420 6.396 -2.357
299 HA MET 548 HA MET 548 -1.461 5.694 0.194
300 HB2 MET 548 2HB MET 548 0.852 7.498 0.256
301 HB3 MET 548 1HB MET 548 0.656 5.900 0.951
302 HG2 MET 548 2HG MET 548 2.183 5.275 -0.530
303 HG3 MET 548 1HG MET 548 0.884 5.332 -1.713
304 HE1 MET 548 3HE MET 548 0.336 8.397 -1.565
305 HE2 MET 548 1HE MET 548 0.493 7.861 -3.237
306 HE3 MET 548 2HE MET 548 1.418 9.250 -2.665
307 H HIS 549 H HIS 549 -3.347 6.932 0.364
308 HA HIS 549 HA HIS 549 -2.847 9.734 1.099
309 HB2 HIS 549 2HB HIS 549 -5.454 8.936 -0.130
310 HB3 HIS 549 1HB HIS 549 -4.684 10.516 -0.087
311 HD1 HIS 549 1HD HIS 549 -5.763 8.610 -2.576
312 HD2 HIS 549 2HD HIS 549 -1.881 9.717 -1.598
313 HE1 HIS 549 1HE HIS 549 -4.448 8.385 -4.703
314 HE2 HIS 549 2HE HIS 549 -2.080 8.967 -4.066
315 H ASN 550 H ASN 550 -5.122 7.029 1.299
316 HA ASN 550 HA ASN 550 -5.278 6.755 4.008
317 HB2 ASN 550 2HB ASN 550 -6.647 9.164 3.144
318 HB3 ASN 550 1HB ASN 550 -7.760 8.045 3.923
319 HD21 ASN 550 1HD2 ASN 550 -6.866 10.611 4.865
320 HD22 ASN 550 2HD2 ASN 550 -6.083 10.341 6.382
321 H GLN 551 H GLN 551 -8.008 7.392 1.833
322 HA GLN 551 HA GLN 551 -9.675 6.065 1.046
323 HB2 GLN 551 2HB GLN 551 -8.018 3.617 1.113
324 HB3 GLN 551 1HB GLN 551 -8.981 4.279 -0.194
325 HG2 GLN 551 2HG GLN 551 -7.012 4.741 -1.131
326 HG3 GLN 551 1HG GLN 551 -6.987 6.113 -0.027
327 HE21 GLN 551 1HE2 GLN 551 -6.538 2.680 0.743
328 HE22 GLN 551 2HE2 GLN 551 -4.918 2.850 1.313
329 H ASP 552 H ASP 552 -9.914 3.196 1.487
330 HA ASP 552 HA ASP 552 -10.216 1.638 3.248
331 HB2 ASP 552 2HB ASP 552 -9.489 3.354 4.977
332 HB3 ASP 552 1HB ASP 552 -11.150 3.937 4.979
333 H GLY 553 H GLY 553 -11.795 3.034 1.151
334 HA2 GLY 553 2HA GLY 553 -14.412 1.977 1.948
335 HA3 GLY 553 1HA GLY 553 -14.325 3.615 1.310
336 H LEU 554 H LEU 554 -11.927 1.971 -0.158
337 HA LEU 554 HA LEU 554 -13.584 1.051 -2.408
338 HB2 LEU 554 2HB LEU 554 -11.677 1.852 -3.855
339 HB3 LEU 554 1HB LEU 554 -12.649 3.109 -3.113
340 HG LEU 554 HG LEU 554 -10.566 2.662 -1.290
341 HD11 LEU 554 1HD1 LEU 554 -9.180 3.178 -3.850
342 HD12 LEU 554 2HD1 LEU 554 -9.625 1.507 -3.501
343 HD13 LEU 554 3HD1 LEU 554 -8.603 2.402 -2.375
344 HD21 LEU 554 3HD2 LEU 554 -10.183 4.848 -3.212
345 HD22 LEU 554 1HD2 LEU 554 -10.363 4.892 -1.458
346 HD23 LEU 554 2HD2 LEU 554 -11.789 4.775 -2.488
347 H ILE 555 H ILE 555 -11.604 0.124 -0.027
348 HA ILE 555 HA ILE 555 -10.659 -2.237 -1.449
349 HB ILE 555 HB ILE 555 -8.431 -2.041 -0.395
350 HG12 ILE 555 2HG1 ILE 555 -9.084 -0.551 1.470
351 HG13 ILE 555 1HG1 ILE 555 -7.703 0.055 0.585
352 HG21 ILE 555 1HG2 ILE 555 -9.273 -0.861 -2.684
353 HG22 ILE 555 2HG2 ILE 555 -7.590 -0.969 -2.164
354 HG23 ILE 555 3HG2 ILE 555 -8.523 0.496 -1.840
355 HD11 ILE 555 3HD1 ILE 555 -10.300 1.248 0.983
356 HD12 ILE 555 1HD1 ILE 555 -9.779 1.248 -0.700
357 HD13 ILE 555 2HD1 ILE 555 -8.761 1.981 0.535
358 H CYS 556 H CYS 556 -10.992 -0.477 1.580
359 HA CYS 556 HA CYS 556 -11.304 -3.022 3.004
360 HB2 CYS 556 2HB CYS 556 -9.364 -1.249 3.465
361 HB3 CYS 556 1HB CYS 556 -10.623 -0.492 4.428
362 H GLY 557 H GLY 557 -13.147 -3.343 4.164
363 HA2 GLY 557 2HA GLY 557 -15.321 -3.020 4.840
364 HA3 GLY 557 1HA GLY 557 -14.734 -1.469 5.418
365 H LEU 558 H LEU 558 -15.679 -3.022 2.360
366 HA LEU 558 HA LEU 558 -17.399 -0.743 1.784
367 HB2 LEU 558 2HB LEU 558 -16.580 -0.563 -0.508
368 HB3 LEU 558 1HB LEU 558 -15.314 -0.222 0.654
369 HG LEU 558 HG LEU 558 -15.568 -2.938 -0.605
370 HD11 LEU 558 1HD1 LEU 558 -14.762 -0.442 -1.873
371 HD12 LEU 558 2HD1 LEU 558 -15.147 -2.008 -2.587
372 HD13 LEU 558 3HD1 LEU 558 -13.531 -1.703 -1.952
373 HD21 LEU 558 3HD2 LEU 558 -13.096 -2.900 -0.154
374 HD22 LEU 558 1HD2 LEU 558 -14.121 -2.895 1.281
375 HD23 LEU 558 2HD2 LEU 558 -13.357 -1.402 0.739
376 H ARG 559 H ARG 559 -16.306 -3.963 0.796
377 HA ARG 559 HA ARG 559 -18.719 -5.248 0.883
378 HB2 ARG 559 2HB ARG 559 -19.451 -5.349 -1.463
379 HB3 ARG 559 1HB ARG 559 -19.528 -3.705 -0.846
380 HG2 ARG 559 2HG ARG 559 -16.986 -4.407 -2.107
381 HG3 ARG 559 1HG ARG 559 -18.379 -4.436 -3.194
382 HD2 ARG 559 2HD ARG 559 -18.744 -2.115 -1.752
383 HD3 ARG 559 1HD ARG 559 -16.997 -2.181 -1.972
384 HE ARG 559 HE ARG 559 -17.935 -2.688 -4.451
385 HH11 ARG 559 1HH1 ARG 559 -18.604 -0.163 -2.136
386 HH12 ARG 559 2HH1 ARG 559 -18.960 1.024 -3.345
387 HH21 ARG 559 1HH2 ARG 559 -18.402 -1.127 -6.043
388 HH22 ARG 559 2HH2 ARG 559 -18.846 0.477 -5.563
389 H GLN 560 H GLN 560 -15.963 -5.685 1.239
390 HA GLN 560 HA GLN 560 -15.432 -7.847 -0.672
391 HB2 GLN 560 2HB GLN 560 -13.032 -7.568 0.198
392 HB3 GLN 560 1HB GLN 560 -13.672 -6.341 -0.883
393 HG2 GLN 560 2HG GLN 560 -12.360 -5.489 1.067
394 HG3 GLN 560 1HG GLN 560 -13.968 -4.800 0.867
395 HE21 GLN 560 1HE2 GLN 560 -15.042 -4.580 2.666
396 HE22 GLN 560 2HE2 GLN 560 -14.901 -5.557 4.080
Start of MODEL 13
1 H1 ALA 507 1HT ALA 507 -10.286 -12.009 -7.370
2 H2 ALA 507 2HT ALA 507 -10.928 -11.969 -5.778
3 H3 ALA 507 3HT ALA 507 -10.423 -10.515 -6.540
4 HA ALA 507 HA ALA 507 -12.115 -11.040 -8.285
5 HB1 ALA 507 1HB ALA 507 -12.784 -13.029 -6.155
6 HB2 ALA 507 2HB ALA 507 -12.720 -13.241 -7.905
7 HB3 ALA 507 3HB ALA 507 -14.053 -12.348 -7.174
8 H GLN 508 H GLN 508 -12.221 -10.731 -4.761
9 HA GLN 508 HA GLN 508 -13.134 -8.068 -4.835
10 HB2 GLN 508 2HB GLN 508 -15.405 -8.478 -3.818
11 HB3 GLN 508 1HB GLN 508 -15.260 -8.892 -5.520
12 HG2 GLN 508 2HG GLN 508 -15.105 -11.229 -4.995
13 HG3 GLN 508 1HG GLN 508 -15.062 -10.877 -3.268
14 HE21 GLN 508 1HE2 GLN 508 -16.952 -10.210 -2.230
15 HE22 GLN 508 2HE2 GLN 508 -18.512 -10.449 -2.932
16 HA PRO 509 HA PRO 509 -11.370 -9.758 -0.842
17 HB2 PRO 509 2HB PRO 509 -9.275 -7.758 -1.213
18 HB3 PRO 509 1HB PRO 509 -9.124 -9.504 -1.008
19 HG2 PRO 509 2HG PRO 509 -8.585 -8.255 -3.349
20 HG3 PRO 509 1HG PRO 509 -9.216 -9.910 -3.266
21 HD2 PRO 509 2HD PRO 509 -10.669 -7.354 -3.843
22 HD3 PRO 509 1HD PRO 509 -10.837 -8.945 -4.617
23 H LYS 510 H LYS 510 -10.692 -8.413 1.112
24 HA LYS 510 HA LYS 510 -12.198 -5.881 1.172
25 HB2 LYS 510 2HB LYS 510 -11.930 -7.710 3.547
26 HB3 LYS 510 1HB LYS 510 -13.059 -6.384 3.314
27 HG2 LYS 510 2HG LYS 510 -14.575 -7.766 2.489
28 HG3 LYS 510 1HG LYS 510 -13.450 -8.319 1.248
29 HD2 LYS 510 2HD LYS 510 -13.203 -9.369 4.034
30 HD3 LYS 510 1HD LYS 510 -14.456 -10.013 2.971
31 HE2 LYS 510 2HE LYS 510 -12.847 -10.741 1.380
32 HE3 LYS 510 1HE LYS 510 -11.554 -9.856 2.187
33 HZ1 LYS 510 3HZ LYS 510 -12.723 -12.433 2.838
34 HZ2 LYS 510 1HZ LYS 510 -12.367 -11.437 4.160
35 HZ3 LYS 510 2HZ LYS 510 -11.146 -11.867 3.072
36 H CYS 511 H CYS 511 -11.019 -4.166 1.741
37 HA CYS 511 HA CYS 511 -9.291 -2.884 2.483
38 HB2 CYS 511 2HB CYS 511 -10.120 -4.348 4.636
39 HB3 CYS 511 1HB CYS 511 -8.412 -4.772 4.570
40 H ASN 512 H ASN 512 -7.836 -2.959 0.844
41 HA ASN 512 HA ASN 512 -5.957 -5.190 0.758
42 HB2 ASN 512 2HB ASN 512 -6.287 -3.066 -1.349
43 HB3 ASN 512 1HB ASN 512 -5.463 -4.611 -1.498
44 HD21 ASN 512 1HD2 ASN 512 -8.655 -3.239 -0.771
45 HD22 ASN 512 2HD2 ASN 512 -9.554 -4.488 -1.552
46 HA PRO 513 HA PRO 513 -2.994 -1.569 1.225
47 HB2 PRO 513 2HB PRO 513 -3.847 0.928 0.603
48 HB3 PRO 513 1HB PRO 513 -3.409 -0.271 -0.613
49 HG2 PRO 513 2HG PRO 513 -6.019 0.823 -0.058
50 HG3 PRO 513 1HG PRO 513 -5.546 -0.300 -1.340
51 HD2 PRO 513 2HD PRO 513 -6.746 -0.870 1.305
52 HD3 PRO 513 1HD PRO 513 -6.805 -1.812 -0.197
53 H ASN 514 H ASN 514 -5.565 -1.805 3.120
54 HA ASN 514 HA ASN 514 -4.635 0.278 4.978
55 HB2 ASN 514 2HB ASN 514 -7.397 -0.426 4.113
56 HB3 ASN 514 1HB ASN 514 -7.167 -0.029 5.813
57 HD21 ASN 514 1HD2 ASN 514 -7.315 1.158 2.598
58 HD22 ASN 514 2HD2 ASN 514 -7.135 2.834 2.969
59 H LEU 515 H LEU 515 -3.303 -1.860 5.241
60 HA LEU 515 HA LEU 515 -4.604 -3.466 7.335
61 HB2 LEU 515 2HB LEU 515 -2.249 -4.667 6.081
62 HB3 LEU 515 1HB LEU 515 -3.796 -5.379 6.479
63 HG LEU 515 HG LEU 515 -3.467 -5.572 4.125
64 HD11 LEU 515 1HD1 LEU 515 -5.303 -3.619 3.500
65 HD12 LEU 515 2HD1 LEU 515 -5.591 -3.924 5.213
66 HD13 LEU 515 3HD1 LEU 515 -5.661 -5.251 4.054
67 HD21 LEU 515 3HD2 LEU 515 -3.474 -2.798 3.338
68 HD22 LEU 515 1HD2 LEU 515 -2.364 -4.093 2.888
69 HD23 LEU 515 2HD2 LEU 515 -2.082 -3.163 4.359
70 H HIS 516 H HIS 516 -1.414 -2.333 6.199
71 HA HIS 516 HA HIS 516 -0.663 -1.258 8.680
72 HB2 HIS 516 2HB HIS 516 0.601 -2.872 9.727
73 HB3 HIS 516 1HB HIS 516 -0.665 -3.872 9.018
74 HD1 HIS 516 1HD HIS 516 0.003 -5.446 7.109
75 HD2 HIS 516 2HD HIS 516 3.093 -3.055 8.492
76 HE1 HIS 516 1HE HIS 516 2.059 -6.284 5.945
77 HE2 HIS 516 2HE HIS 516 3.934 -4.828 6.796
78 H TYR 517 H TYR 517 0.874 -3.081 6.011
79 HA TYR 517 HA TYR 517 3.240 -1.666 5.859
80 HB2 TYR 517 2HB TYR 517 2.489 -2.285 3.174
81 HB3 TYR 517 1HB TYR 517 3.713 -3.035 4.174
82 HD1 TYR 517 2HD TYR 517 -0.041 -3.238 4.503
83 HD2 TYR 517 1HD TYR 517 3.605 -5.253 3.616
84 HE1 TYR 517 2HE TYR 517 -1.251 -5.366 4.374
85 HE2 TYR 517 1HE TYR 517 2.391 -7.385 3.468
86 HH TYR 517 HH TYR 517 0.328 -8.388 4.259
87 H TRP 518 H TRP 518 0.162 -0.474 5.114
88 HA TRP 518 HA TRP 518 1.368 1.725 3.577
89 HB2 TRP 518 2HB TRP 518 -1.526 1.048 3.278
90 HB3 TRP 518 1HB TRP 518 -0.427 1.748 2.115
91 HD1 TRP 518 HD TRP 518 0.268 -1.627 3.803
92 HE1 TRP 518 1HE TRP 518 0.264 -3.424 2.036
93 HE3 TRP 518 3HE TRP 518 -1.305 1.163 -0.173
94 HZ2 TRP 518 2HZ TRP 518 -0.355 -3.700 -0.705
95 HZ3 TRP 518 3HZ TRP 518 -1.589 0.039 -2.344
96 HH2 TRP 518 HH TRP 518 -1.119 -2.342 -2.606
97 H THR 519 H THR 519 -1.228 0.754 5.725
98 HA THR 519 HA THR 519 -2.148 3.335 6.391
99 HB THR 519 HB THR 519 -3.579 1.481 6.804
100 HG1 THR 519 1HG THR 519 -3.963 1.707 9.063
101 HG21 THR 519 3HG2 THR 519 -2.441 0.120 8.981
102 HG22 THR 519 1HG2 THR 519 -1.204 0.200 7.724
103 HG23 THR 519 2HG2 THR 519 -2.785 -0.496 7.366
104 H THR 520 H THR 520 0.517 1.443 7.537
105 HA THR 520 HA THR 520 0.842 2.960 9.964
106 HB THR 520 HB THR 520 1.601 0.468 9.316
107 HG1 THR 520 1HG THR 520 3.075 2.079 11.112
108 HG21 THR 520 3HG2 THR 520 4.096 2.104 8.907
109 HG22 THR 520 1HG2 THR 520 3.360 0.964 7.778
110 HG23 THR 520 2HG2 THR 520 4.078 0.379 9.278
111 H GLN 521 H GLN 521 2.815 2.593 7.016
112 HA GLN 521 HA GLN 521 4.110 5.122 7.687
113 HB2 GLN 521 2HB GLN 521 5.931 4.474 6.363
114 HB3 GLN 521 1HB GLN 521 5.448 3.012 7.212
115 HG2 GLN 521 2HG GLN 521 4.608 2.025 5.300
116 HG3 GLN 521 1HG GLN 521 4.440 3.561 4.460
117 HE21 GLN 521 1HE2 GLN 521 6.560 4.739 4.070
118 HE22 GLN 521 2HE2 GLN 521 7.897 3.764 3.570
119 H ASP 522 H ASP 522 5.007 5.760 5.121
120 HA ASP 522 HA ASP 522 2.520 6.783 3.966
121 HB2 ASP 522 2HB ASP 522 5.312 7.770 4.098
122 HB3 ASP 522 1HB ASP 522 4.316 8.269 2.738
123 H GLU 523 H GLU 523 3.341 4.142 3.414
124 HA GLU 523 HA GLU 523 3.853 2.674 1.727
125 HB2 GLU 523 2HB GLU 523 2.178 4.801 0.452
126 HB3 GLU 523 1HB GLU 523 2.797 3.468 -0.515
127 HG2 GLU 523 2HG GLU 523 1.680 1.870 0.839
128 HG3 GLU 523 1HG GLU 523 1.209 3.108 2.001
129 H GLY 524 H GLY 524 6.107 3.253 2.030
130 HA2 GLY 524 2HA GLY 524 8.108 3.331 0.783
131 HA3 GLY 524 1HA GLY 524 7.245 4.191 -0.488
132 H ALA 525 H ALA 525 6.025 5.919 1.686
133 HA ALA 525 HA ALA 525 6.387 7.995 2.480
134 HB1 ALA 525 1HB ALA 525 8.049 6.300 3.822
135 HB2 ALA 525 2HB ALA 525 7.708 7.970 4.275
136 HB3 ALA 525 3HB ALA 525 9.137 7.591 3.312
137 H ALA 526 H ALA 526 7.667 7.161 -0.278
138 HA ALA 526 HA ALA 526 8.961 8.126 -1.877
139 HB1 ALA 526 1HB ALA 526 8.374 10.831 -0.826
140 HB2 ALA 526 2HB ALA 526 6.997 9.809 -1.239
141 HB3 ALA 526 3HB ALA 526 8.210 10.191 -2.462
142 H ILE 527 H ILE 527 10.064 7.768 0.974
143 HA ILE 527 HA ILE 527 11.911 9.739 1.571
144 HB ILE 527 HB ILE 527 13.277 7.620 2.428
145 HG12 ILE 527 2HG1 ILE 527 11.867 5.756 3.000
146 HG13 ILE 527 1HG1 ILE 527 10.452 6.560 2.336
147 HG21 ILE 527 1HG2 ILE 527 10.775 8.775 3.617
148 HG22 ILE 527 2HG2 ILE 527 12.440 9.289 3.890
149 HG23 ILE 527 3HG2 ILE 527 11.886 7.729 4.501
150 HD11 ILE 527 3HD1 ILE 527 12.783 5.994 0.573
151 HD12 ILE 527 1HD1 ILE 527 11.073 6.139 0.165
152 HD13 ILE 527 2HD1 ILE 527 11.663 4.697 0.993
153 H GLY 528 H GLY 528 11.943 7.452 -1.013
154 HA2 GLY 528 2HA GLY 528 13.810 8.605 -2.575
155 HA3 GLY 528 1HA GLY 528 14.800 7.676 -1.464
156 H LEU 529 H LEU 529 12.930 5.477 -1.249
157 HA LEU 529 HA LEU 529 12.402 3.497 -2.233
158 HB2 LEU 529 2HB LEU 529 12.032 5.456 -4.350
159 HB3 LEU 529 1HB LEU 529 12.519 3.898 -4.983
160 HG LEU 529 HG LEU 529 10.048 4.571 -3.408
161 HD11 LEU 529 1HD1 LEU 529 9.724 2.903 -5.721
162 HD12 LEU 529 2HD1 LEU 529 10.631 4.357 -6.139
163 HD13 LEU 529 3HD1 LEU 529 9.043 4.494 -5.382
164 HD21 LEU 529 3HD2 LEU 529 9.666 2.007 -3.759
165 HD22 LEU 529 1HD2 LEU 529 10.573 2.593 -2.362
166 HD23 LEU 529 2HD2 LEU 529 11.429 1.959 -3.766
167 H ALA 530 H ALA 530 14.758 5.113 -4.278
168 HA ALA 530 HA ALA 530 16.165 2.664 -4.740
169 HB1 ALA 530 1HB ALA 530 17.031 5.445 -5.474
170 HB2 ALA 530 2HB ALA 530 15.982 4.425 -6.458
171 HB3 ALA 530 3HB ALA 530 17.643 3.930 -6.132
172 H TRP 531 H TRP 531 16.126 3.022 -2.069
173 HA TRP 531 HA TRP 531 18.912 3.714 -1.410
174 HB2 TRP 531 2HB TRP 531 17.992 4.083 0.952
175 HB3 TRP 531 1HB TRP 531 17.538 5.288 -0.252
176 HD1 TRP 531 HD TRP 531 15.103 4.672 -1.499
177 HE1 TRP 531 1HE TRP 531 12.926 3.971 -0.375
178 HE3 TRP 531 3HE TRP 531 16.992 3.095 2.966
179 HZ2 TRP 531 2HZ TRP 531 12.080 2.917 2.117
180 HZ3 TRP 531 3HZ TRP 531 15.432 2.263 4.679
181 HH2 TRP 531 HH TRP 531 13.026 2.178 4.263
182 H ILE 532 H ILE 532 16.415 1.375 -1.468
183 HA ILE 532 HA ILE 532 17.953 -0.424 0.286
184 HB ILE 532 HB ILE 532 15.826 -1.810 0.210
185 HG12 ILE 532 2HG1 ILE 532 15.043 -0.145 -1.759
186 HG13 ILE 532 1HG1 ILE 532 13.923 -1.045 -0.746
187 HG21 ILE 532 1HG2 ILE 532 14.654 -0.113 1.808
188 HG22 ILE 532 2HG2 ILE 532 16.144 0.809 1.592
189 HG23 ILE 532 3HG2 ILE 532 16.206 -0.827 2.249
190 HD11 ILE 532 3HD1 ILE 532 13.215 1.241 -0.994
191 HD12 ILE 532 1HD1 ILE 532 14.762 1.807 -0.365
192 HD13 ILE 532 2HD1 ILE 532 13.660 0.914 0.682
193 HA PRO 533 HA PRO 533 19.161 -3.096 -2.979
194 HB2 PRO 533 2HB PRO 533 18.407 -5.574 -2.028
195 HB3 PRO 533 1HB PRO 533 19.876 -4.716 -1.552
196 HG2 PRO 533 2HG PRO 533 17.240 -4.884 -0.152
197 HG3 PRO 533 1HG PRO 533 18.878 -4.957 0.528
198 HD2 PRO 533 2HD PRO 533 17.410 -2.726 0.683
199 HD3 PRO 533 1HD PRO 533 19.163 -2.656 0.407
200 H TYR 534 H TYR 534 15.968 -4.112 -1.704
201 HA TYR 534 HA TYR 534 14.842 -3.893 -4.360
202 HB2 TYR 534 2HB TYR 534 14.085 -6.229 -4.468
203 HB3 TYR 534 1HB TYR 534 15.842 -6.108 -4.463
204 HD1 TYR 534 1HD TYR 534 12.891 -7.043 -2.474
205 HD2 TYR 534 2HD TYR 534 17.140 -6.995 -2.649
206 HE1 TYR 534 1HE TYR 534 12.981 -8.581 -0.556
207 HE2 TYR 534 2HE TYR 534 17.244 -8.532 -0.733
208 HH TYR 534 HH TYR 534 15.408 -9.018 1.336
209 H PHE 535 H PHE 535 14.441 -3.362 -1.182
210 HA PHE 535 HA PHE 535 11.784 -4.309 -0.753
211 HB2 PHE 535 2HB PHE 535 12.862 -1.935 0.710
212 HB3 PHE 535 1HB PHE 535 11.861 -3.249 1.305
213 HD1 PHE 535 2HD PHE 535 13.675 -5.480 0.139
214 HD2 PHE 535 1HD PHE 535 14.433 -2.002 2.466
215 HE1 PHE 535 2HE PHE 535 15.682 -6.549 1.079
216 HE2 PHE 535 1HE PHE 535 16.441 -3.056 3.404
217 HZ PHE 535 HZ PHE 535 17.070 -5.338 2.716
218 H GLY 536 H GLY 536 13.162 -1.505 -2.225
219 HA2 GLY 536 2HA GLY 536 10.511 -0.231 -2.366
220 HA3 GLY 536 1HA GLY 536 12.042 0.609 -2.543
221 HA PRO 537 HA PRO 537 12.271 0.183 -6.931
222 HB2 PRO 537 2HB PRO 537 14.207 -2.073 -6.827
223 HB3 PRO 537 1HB PRO 537 14.325 -0.527 -7.674
224 HG2 PRO 537 2HG PRO 537 15.720 -0.998 -5.446
225 HG3 PRO 537 1HG PRO 537 15.041 0.602 -5.791
226 HD2 PRO 537 2HD PRO 537 14.121 -1.482 -3.874
227 HD3 PRO 537 1HD PRO 537 14.053 0.287 -3.739
228 H ALA 538 H ALA 538 12.226 -2.913 -5.254
229 HA ALA 538 HA ALA 538 10.789 -4.179 -7.459
230 HB1 ALA 538 1HB ALA 538 11.868 -5.990 -6.774
231 HB2 ALA 538 2HB ALA 538 10.996 -5.930 -5.243
232 HB3 ALA 538 3HB ALA 538 12.538 -5.093 -5.411
233 H ALA 539 H ALA 539 10.069 -2.484 -4.627
234 HA ALA 539 HA ALA 539 7.699 -3.890 -3.866
235 HB1 ALA 539 1HB ALA 539 7.393 -1.412 -2.790
236 HB2 ALA 539 2HB ALA 539 9.143 -1.496 -2.992
237 HB3 ALA 539 3HB ALA 539 8.304 -2.728 -2.049
238 H GLU 540 H GLU 540 5.799 -3.828 -4.819
239 HA GLU 540 HA GLU 540 5.073 -1.461 -6.414
240 HB2 GLU 540 2HB GLU 540 4.202 -4.278 -7.052
241 HB3 GLU 540 1HB GLU 540 4.020 -2.840 -8.050
242 HG2 GLU 540 2HG GLU 540 6.681 -2.859 -7.789
243 HG3 GLU 540 1HG GLU 540 6.358 -4.587 -7.642
244 H GLY 541 H GLY 541 4.215 -3.706 -3.974
245 HA2 GLY 541 2HA GLY 541 1.510 -2.532 -3.831
246 HA3 GLY 541 1HA GLY 541 1.861 -4.193 -3.372
247 H ILE 542 H ILE 542 3.893 -1.422 -2.666
248 HA ILE 542 HA ILE 542 3.019 -1.372 0.115
249 HB ILE 542 HB ILE 542 5.962 -1.506 -0.319
250 HG12 ILE 542 2HG1 ILE 542 5.722 -4.038 0.195
251 HG13 ILE 542 1HG1 ILE 542 4.094 -3.856 -0.452
252 HG21 ILE 542 1HG2 ILE 542 4.444 -1.117 1.863
253 HG22 ILE 542 2HG2 ILE 542 6.052 -1.837 1.912
254 HG23 ILE 542 3HG2 ILE 542 4.622 -2.870 1.925
255 HD11 ILE 542 3HD1 ILE 542 5.096 -4.374 -2.391
256 HD12 ILE 542 1HD1 ILE 542 6.688 -3.871 -1.824
257 HD13 ILE 542 2HD1 ILE 542 5.536 -2.664 -2.399
258 H TYR 543 H TYR 543 4.932 -0.067 -2.513
259 HA TYR 543 HA TYR 543 5.294 2.436 -1.108
260 HB2 TYR 543 2HB TYR 543 7.132 2.705 -2.391
261 HB3 TYR 543 1HB TYR 543 6.985 0.978 -2.620
262 HD1 TYR 543 2HD TYR 543 5.555 0.226 -4.671
263 HD2 TYR 543 1HD TYR 543 7.273 4.092 -4.239
264 HE1 TYR 543 2HE TYR 543 5.403 0.557 -7.095
265 HE2 TYR 543 1HE TYR 543 7.134 4.434 -6.664
266 HH TYR 543 HH TYR 543 5.789 3.561 -8.576
267 H ILE 544 H ILE 544 3.791 1.070 -3.977
268 HA ILE 544 HA ILE 544 2.460 1.960 -5.618
269 HB ILE 544 HB ILE 544 0.995 3.091 -3.245
270 HG12 ILE 544 2HG1 ILE 544 -0.186 0.851 -3.265
271 HG13 ILE 544 1HG1 ILE 544 1.127 0.260 -4.277
272 HG21 ILE 544 1HG2 ILE 544 0.209 2.258 -6.016
273 HG22 ILE 544 2HG2 ILE 544 -0.059 3.802 -5.207
274 HG23 ILE 544 3HG2 ILE 544 -0.974 2.377 -4.712
275 HD11 ILE 544 3HD1 ILE 544 1.828 1.585 -1.719
276 HD12 ILE 544 1HD1 ILE 544 2.619 0.256 -2.566
277 HD13 ILE 544 2HD1 ILE 544 1.137 -0.037 -1.660
278 H GLU 545 H GLU 545 2.186 4.502 -3.184
279 HA GLU 545 HA GLU 545 2.481 6.747 -3.255
280 HB2 GLU 545 2HB GLU 545 4.154 6.273 -5.719
281 HB3 GLU 545 1HB GLU 545 4.227 7.651 -4.624
282 HG2 GLU 545 2HG GLU 545 4.829 5.973 -2.817
283 HG3 GLU 545 1HG GLU 545 5.096 4.825 -4.126
284 H GLY 546 H GLY 546 0.412 7.325 -3.664
285 HA2 GLY 546 2HA GLY 546 -0.406 8.967 -5.528
286 HA3 GLY 546 1HA GLY 546 -0.483 7.472 -6.446
287 H LEU 547 H LEU 547 -1.205 6.482 -3.422
288 HA LEU 547 HA LEU 547 -4.067 7.159 -3.701
289 HB2 LEU 547 2HB LEU 547 -4.747 4.957 -3.326
290 HB3 LEU 547 1HB LEU 547 -3.451 4.843 -4.500
291 HG LEU 547 HG LEU 547 -3.124 4.326 -1.546
292 HD11 LEU 547 1HD1 LEU 547 -3.541 2.439 -3.854
293 HD12 LEU 547 2HD1 LEU 547 -4.547 2.626 -2.418
294 HD13 LEU 547 3HD1 LEU 547 -2.927 1.942 -2.277
295 HD21 LEU 547 3HD2 LEU 547 -1.285 4.527 -3.815
296 HD22 LEU 547 1HD2 LEU 547 -1.096 3.061 -2.854
297 HD23 LEU 547 2HD2 LEU 547 -0.972 4.642 -2.085
298 H MET 548 H MET 548 -1.395 7.109 -1.680
299 HA MET 548 HA MET 548 -2.606 6.573 0.819
300 HB2 MET 548 2HB MET 548 -0.249 8.405 0.553
301 HB3 MET 548 1HB MET 548 -0.599 7.227 1.806
302 HG2 MET 548 2HG MET 548 0.616 5.704 0.782
303 HG3 MET 548 1HG MET 548 -0.327 5.872 -0.695
304 HE1 MET 548 3HE MET 548 0.748 9.356 -0.855
305 HE2 MET 548 1HE MET 548 -0.030 8.278 -2.014
306 HE3 MET 548 2HE MET 548 1.568 8.936 -2.357
307 H HIS 549 H HIS 549 -4.576 7.810 0.566
308 HA HIS 549 HA HIS 549 -4.204 10.589 1.441
309 HB2 HIS 549 2HB HIS 549 -6.509 9.894 -0.332
310 HB3 HIS 549 1HB HIS 549 -5.726 11.449 -0.083
311 HD1 HIS 549 1HD HIS 549 -6.248 9.446 -2.751
312 HD2 HIS 549 2HD HIS 549 -2.718 10.765 -1.005
313 HE1 HIS 549 1HE HIS 549 -4.499 9.244 -4.538
314 HE2 HIS 549 2HE HIS 549 -2.354 9.980 -3.444
315 H ASN 550 H ASN 550 -4.798 8.043 2.827
316 HA ASN 550 HA ASN 550 -6.187 7.212 4.434
317 HB2 ASN 550 2HB ASN 550 -7.190 10.057 4.636
318 HB3 ASN 550 1HB ASN 550 -7.247 8.821 5.888
319 HD21 ASN 550 1HD2 ASN 550 -5.994 9.657 7.429
320 HD22 ASN 550 2HD2 ASN 550 -4.341 10.116 7.222
321 H GLN 551 H GLN 551 -7.199 6.308 2.327
322 HA GLN 551 HA GLN 551 -9.845 7.329 1.766
323 HB2 GLN 551 2HB GLN 551 -9.139 4.742 0.570
324 HB3 GLN 551 1HB GLN 551 -9.761 6.197 -0.182
325 HG2 GLN 551 2HG GLN 551 -7.762 6.434 -1.110
326 HG3 GLN 551 1HG GLN 551 -7.162 6.874 0.485
327 HE21 GLN 551 1HE2 GLN 551 -7.233 4.466 1.790
328 HE22 GLN 551 2HE2 GLN 551 -6.130 3.364 1.052
329 H ASP 552 H ASP 552 -8.922 3.963 2.185
330 HA ASP 552 HA ASP 552 -9.811 2.253 3.383
331 HB2 ASP 552 2HB ASP 552 -9.524 4.218 5.203
332 HB3 ASP 552 1HB ASP 552 -11.273 4.017 5.269
333 H GLY 553 H GLY 553 -11.444 4.037 1.393
334 HA2 GLY 553 2HA GLY 553 -14.063 2.828 2.035
335 HA3 GLY 553 1HA GLY 553 -13.886 4.370 1.206
336 H LEU 554 H LEU 554 -11.688 3.526 -0.438
337 HA LEU 554 HA LEU 554 -13.194 2.145 -2.498
338 HB2 LEU 554 2HB LEU 554 -11.268 2.708 -3.924
339 HB3 LEU 554 1HB LEU 554 -11.966 4.110 -3.140
340 HG LEU 554 HG LEU 554 -9.974 3.396 -1.376
341 HD11 LEU 554 1HD1 LEU 554 -9.298 1.769 -3.288
342 HD12 LEU 554 2HD1 LEU 554 -8.064 2.726 -2.469
343 HD13 LEU 554 3HD1 LEU 554 -8.661 3.225 -4.051
344 HD21 LEU 554 3HD2 LEU 554 -8.724 5.300 -2.442
345 HD22 LEU 554 1HD2 LEU 554 -10.390 5.652 -1.985
346 HD23 LEU 554 2HD2 LEU 554 -9.986 5.344 -3.673
347 H ILE 555 H ILE 555 -11.485 1.110 0.043
348 HA ILE 555 HA ILE 555 -10.741 -1.388 -1.267
349 HB ILE 555 HB ILE 555 -8.603 -1.450 -0.012
350 HG12 ILE 555 2HG1 ILE 555 -9.174 0.244 1.696
351 HG13 ILE 555 1HG1 ILE 555 -7.662 0.602 0.887
352 HG21 ILE 555 1HG2 ILE 555 -7.526 -0.684 -1.806
353 HG22 ILE 555 2HG2 ILE 555 -8.192 0.941 -1.624
354 HG23 ILE 555 3HG2 ILE 555 -9.133 -0.313 -2.434
355 HD11 ILE 555 3HD1 ILE 555 -10.122 2.133 0.990
356 HD12 ILE 555 1HD1 ILE 555 -9.436 1.983 -0.627
357 HD13 ILE 555 2HD1 ILE 555 -8.465 2.653 0.682
358 H CYS 556 H CYS 556 -11.118 0.438 1.733
359 HA CYS 556 HA CYS 556 -11.694 -2.076 3.127
360 HB2 CYS 556 2HB CYS 556 -9.879 -0.203 3.832
361 HB3 CYS 556 1HB CYS 556 -11.289 0.407 4.694
362 H GLY 557 H GLY 557 -13.781 -1.504 1.723
363 HA2 GLY 557 2HA GLY 557 -15.591 0.103 3.406
364 HA3 GLY 557 1HA GLY 557 -15.834 -0.218 1.694
365 H LEU 558 H LEU 558 -15.835 -2.728 1.245
366 HA LEU 558 HA LEU 558 -17.251 -4.155 3.355
367 HB2 LEU 558 2HB LEU 558 -19.083 -4.781 1.894
368 HB3 LEU 558 1HB LEU 558 -18.997 -3.041 2.074
369 HG LEU 558 HG LEU 558 -17.961 -4.550 -0.326
370 HD11 LEU 558 1HD1 LEU 558 -20.342 -2.807 -0.495
371 HD12 LEU 558 2HD1 LEU 558 -20.554 -4.382 0.270
372 HD13 LEU 558 3HD1 LEU 558 -19.944 -4.279 -1.381
373 HD21 LEU 558 3HD2 LEU 558 -18.422 -1.973 -1.083
374 HD22 LEU 558 1HD2 LEU 558 -16.851 -2.621 -0.617
375 HD23 LEU 558 2HD2 LEU 558 -17.834 -1.762 0.567
376 H ARG 559 H ARG 559 -16.077 -4.342 -0.007
377 HA ARG 559 HA ARG 559 -14.298 -6.424 0.402
378 HB2 ARG 559 2HB ARG 559 -15.460 -8.373 -0.480
379 HB3 ARG 559 1HB ARG 559 -16.316 -7.769 0.932
380 HG2 ARG 559 2HG ARG 559 -17.227 -6.629 -1.600
381 HG3 ARG 559 1HG ARG 559 -17.465 -8.374 -1.458
382 HD2 ARG 559 2HD ARG 559 -18.232 -6.638 0.834
383 HD3 ARG 559 1HD ARG 559 -19.270 -6.651 -0.591
384 HE ARG 559 HE ARG 559 -19.017 -8.712 1.365
385 HH11 ARG 559 1HH1 ARG 559 -19.665 -8.119 -2.013
386 HH12 ARG 559 2HH1 ARG 559 -20.572 -9.579 -2.224
387 HH21 ARG 559 1HH2 ARG 559 -20.211 -10.632 1.089
388 HH22 ARG 559 2HH2 ARG 559 -20.885 -11.004 -0.462
389 H GLN 560 H GLN 560 -14.641 -4.051 -1.086
390 HA GLN 560 HA GLN 560 -14.795 -4.840 -3.870
391 HB2 GLN 560 2HB GLN 560 -14.857 -2.559 -4.400
392 HB3 GLN 560 1HB GLN 560 -15.744 -2.671 -2.888
393 HG2 GLN 560 2HG GLN 560 -12.843 -1.893 -3.057
394 HG3 GLN 560 1HG GLN 560 -14.171 -0.737 -3.077
395 HE21 GLN 560 1HE2 GLN 560 -12.783 -3.370 -1.176
396 HE22 GLN 560 2HE2 GLN 560 -13.239 -2.739 0.362
Start of MODEL 14
1 H1 ALA 507 1HT ALA 507 -12.304 -10.907 -4.195
2 H2 ALA 507 2HT ALA 507 -12.193 -12.400 -5.034
3 H3 ALA 507 3HT ALA 507 -12.312 -12.381 -3.321
4 HA ALA 507 HA ALA 507 -14.342 -11.766 -5.335
5 HB1 ALA 507 1HB ALA 507 -15.650 -13.336 -3.890
6 HB2 ALA 507 2HB ALA 507 -14.170 -13.631 -2.978
7 HB3 ALA 507 3HB ALA 507 -14.252 -14.057 -4.687
8 H GLN 508 H GLN 508 -13.324 -11.194 -2.011
9 HA GLN 508 HA GLN 508 -14.842 -8.791 -1.850
10 HB2 GLN 508 2HB GLN 508 -15.933 -11.279 -0.643
11 HB3 GLN 508 1HB GLN 508 -16.040 -9.809 0.317
12 HG2 GLN 508 2HG GLN 508 -17.013 -8.811 -1.907
13 HG3 GLN 508 1HG GLN 508 -17.372 -10.503 -2.247
14 HE21 GLN 508 1HE2 GLN 508 -17.499 -8.446 0.646
15 HE22 GLN 508 2HE2 GLN 508 -19.130 -8.838 1.061
16 HA PRO 509 HA PRO 509 -11.236 -9.497 1.120
17 HB2 PRO 509 2HB PRO 509 -9.367 -7.994 -0.111
18 HB3 PRO 509 1HB PRO 509 -9.625 -9.694 -0.520
19 HG2 PRO 509 2HG PRO 509 -10.595 -7.239 -1.933
20 HG3 PRO 509 1HG PRO 509 -9.907 -8.724 -2.616
21 HD2 PRO 509 2HD PRO 509 -12.583 -8.219 -2.533
22 HD3 PRO 509 1HD PRO 509 -11.902 -9.857 -2.480
23 H LYS 510 H LYS 510 -11.409 -8.224 2.846
24 HA LYS 510 HA LYS 510 -12.285 -5.462 2.527
25 HB2 LYS 510 2HB LYS 510 -12.630 -5.507 4.955
26 HB3 LYS 510 1HB LYS 510 -13.450 -6.847 4.166
27 HG2 LYS 510 2HG LYS 510 -11.009 -7.926 4.796
28 HG3 LYS 510 1HG LYS 510 -11.333 -6.860 6.164
29 HD2 LYS 510 2HD LYS 510 -12.260 -8.966 6.726
30 HD3 LYS 510 1HD LYS 510 -13.620 -7.927 6.294
31 HE2 LYS 510 2HE LYS 510 -12.455 -9.434 4.059
32 HE3 LYS 510 1HE LYS 510 -13.203 -10.427 5.309
33 HZ1 LYS 510 3HZ LYS 510 -15.082 -8.602 5.011
34 HZ2 LYS 510 1HZ LYS 510 -15.023 -10.004 4.064
35 HZ3 LYS 510 2HZ LYS 510 -14.427 -8.544 3.453
36 H CYS 511 H CYS 511 -10.851 -3.889 2.394
37 HA CYS 511 HA CYS 511 -8.970 -2.641 2.652
38 HB2 CYS 511 2HB CYS 511 -9.255 -4.056 5.242
39 HB3 CYS 511 1HB CYS 511 -7.688 -3.324 4.921
40 H ASN 512 H ASN 512 -7.958 -3.581 0.841
41 HA ASN 512 HA ASN 512 -6.216 -5.851 1.205
42 HB2 ASN 512 2HB ASN 512 -6.506 -4.089 -1.232
43 HB3 ASN 512 1HB ASN 512 -5.728 -5.663 -1.160
44 HD21 ASN 512 1HD2 ASN 512 -8.823 -4.021 -0.747
45 HD22 ASN 512 2HD2 ASN 512 -9.800 -5.371 -1.185
46 HA PRO 513 HA PRO 513 -2.879 -2.515 0.922
47 HB2 PRO 513 2HB PRO 513 -3.596 -0.044 0.019
48 HB3 PRO 513 1HB PRO 513 -3.267 -1.412 -1.046
49 HG2 PRO 513 2HG PRO 513 -5.783 -0.088 -0.604
50 HG3 PRO 513 1HG PRO 513 -5.437 -1.445 -1.687
51 HD2 PRO 513 2HD PRO 513 -6.537 -1.463 1.069
52 HD3 PRO 513 1HD PRO 513 -6.785 -2.613 -0.260
53 H ASN 514 H ASN 514 -5.336 -2.335 2.921
54 HA ASN 514 HA ASN 514 -4.273 -0.059 4.455
55 HB2 ASN 514 2HB ASN 514 -7.061 -0.895 3.859
56 HB3 ASN 514 1HB ASN 514 -6.744 -0.375 5.511
57 HD21 ASN 514 1HD2 ASN 514 -6.885 0.586 2.171
58 HD22 ASN 514 2HD2 ASN 514 -6.817 2.288 2.456
59 H LEU 515 H LEU 515 -2.904 -2.181 4.776
60 HA LEU 515 HA LEU 515 -4.010 -3.734 6.999
61 HB2 LEU 515 2HB LEU 515 -1.437 -4.479 5.733
62 HB3 LEU 515 1HB LEU 515 -2.715 -5.499 6.352
63 HG LEU 515 HG LEU 515 -2.724 -5.901 4.056
64 HD11 LEU 515 1HD1 LEU 515 -4.906 -4.472 5.184
65 HD12 LEU 515 2HD1 LEU 515 -4.923 -5.704 3.923
66 HD13 LEU 515 3HD1 LEU 515 -4.748 -4.005 3.493
67 HD21 LEU 515 3HD2 LEU 515 -1.781 -4.529 2.589
68 HD22 LEU 515 1HD2 LEU 515 -1.576 -3.336 3.874
69 HD23 LEU 515 2HD2 LEU 515 -3.028 -3.316 2.873
70 H HIS 516 H HIS 516 -1.037 -2.035 6.003
71 HA HIS 516 HA HIS 516 -0.611 -0.855 8.506
72 HB2 HIS 516 2HB HIS 516 0.871 -2.199 9.634
73 HB3 HIS 516 1HB HIS 516 -0.129 -3.427 8.864
74 HD1 HIS 516 1HD HIS 516 0.947 -4.843 7.020
75 HD2 HIS 516 2HD HIS 516 3.436 -1.906 8.563
76 HE1 HIS 516 1HE HIS 516 3.204 -5.292 6.018
77 HE2 HIS 516 2HE HIS 516 4.700 -3.487 6.945
78 H TYR 517 H TYR 517 1.361 -2.359 5.936
79 HA TYR 517 HA TYR 517 3.396 -0.485 5.902
80 HB2 TYR 517 2HB TYR 517 3.110 -1.303 3.216
81 HB3 TYR 517 1HB TYR 517 4.276 -1.851 4.399
82 HD1 TYR 517 2HD TYR 517 0.592 -2.615 4.351
83 HD2 TYR 517 1HD TYR 517 4.560 -4.053 3.779
84 HE1 TYR 517 2HE TYR 517 -0.264 -4.905 4.141
85 HE2 TYR 517 1HE TYR 517 3.700 -6.342 3.547
86 HH TYR 517 HH TYR 517 0.379 -7.030 3.176
87 H TRP 518 H TRP 518 0.201 -0.112 4.695
88 HA TRP 518 HA TRP 518 1.077 2.328 3.295
89 HB2 TRP 518 2HB TRP 518 -1.539 1.152 2.560
90 HB3 TRP 518 1HB TRP 518 -0.342 1.933 1.557
91 HD1 TRP 518 HD TRP 518 0.979 -1.055 3.431
92 HE1 TRP 518 1HE TRP 518 1.277 -2.986 1.839
93 HE3 TRP 518 3HE TRP 518 -1.458 0.877 -0.616
94 HZ2 TRP 518 2HZ TRP 518 0.552 -3.676 -0.803
95 HZ3 TRP 518 3HZ TRP 518 -1.608 -0.497 -2.651
96 HH2 TRP 518 HH TRP 518 -0.618 -2.727 -2.744
97 H THR 519 H THR 519 -1.436 0.835 5.224
98 HA THR 519 HA THR 519 -3.150 3.004 5.541
99 HB THR 519 HB THR 519 -3.751 0.757 6.249
100 HG1 THR 519 1HG THR 519 -3.645 2.457 8.515
101 HG21 THR 519 3HG2 THR 519 -2.153 0.916 8.729
102 HG22 THR 519 1HG2 THR 519 -1.314 0.451 7.248
103 HG23 THR 519 2HG2 THR 519 -2.698 -0.488 7.814
104 H THR 520 H THR 520 -0.119 2.277 7.056
105 HA THR 520 HA THR 520 -0.426 4.450 8.982
106 HB THR 520 HB THR 520 1.260 2.050 8.766
107 HG1 THR 520 1HG THR 520 0.561 1.871 10.724
108 HG21 THR 520 3HG2 THR 520 3.175 3.361 8.648
109 HG22 THR 520 1HG2 THR 520 2.958 3.104 10.381
110 HG23 THR 520 2HG2 THR 520 2.480 4.636 9.649
111 H GLN 521 H GLN 521 2.281 3.413 6.937
112 HA GLN 521 HA GLN 521 2.972 6.223 6.550
113 HB2 GLN 521 2HB GLN 521 5.181 5.472 6.010
114 HB3 GLN 521 1HB GLN 521 4.663 4.631 7.461
115 HG2 GLN 521 2HG GLN 521 4.759 2.624 6.498
116 HG3 GLN 521 1HG GLN 521 4.083 3.198 4.980
117 HE21 GLN 521 1HE2 GLN 521 5.990 5.201 4.398
118 HE22 GLN 521 2HE2 GLN 521 7.490 4.433 4.037
119 H ASP 522 H ASP 522 4.463 6.103 4.307
120 HA ASP 522 HA ASP 522 2.418 5.943 2.250
121 HB2 ASP 522 2HB ASP 522 5.185 7.114 2.323
122 HB3 ASP 522 1HB ASP 522 4.231 7.035 0.845
123 H GLU 523 H GLU 523 3.832 3.537 3.391
124 HA GLU 523 HA GLU 523 4.430 1.477 2.623
125 HB2 GLU 523 2HB GLU 523 4.132 2.558 -0.173
126 HB3 GLU 523 1HB GLU 523 4.015 0.885 0.352
127 HG2 GLU 523 2HG GLU 523 1.888 1.107 1.062
128 HG3 GLU 523 1HG GLU 523 2.113 2.778 1.571
129 H GLY 524 H GLY 524 6.190 4.138 2.431
130 HA2 GLY 524 2HA GLY 524 8.635 3.594 2.690
131 HA3 GLY 524 1HA GLY 524 8.476 2.829 1.116
132 H ALA 525 H ALA 525 6.599 5.674 1.565
133 HA ALA 525 HA ALA 525 8.427 7.075 -0.224
134 HB1 ALA 525 1HB ALA 525 6.652 8.075 -1.188
135 HB2 ALA 525 2HB ALA 525 5.783 8.246 0.338
136 HB3 ALA 525 3HB ALA 525 5.793 6.695 -0.503
137 H ALA 526 H ALA 526 7.755 7.002 3.032
138 HA ALA 526 HA ALA 526 8.081 9.818 3.465
139 HB1 ALA 526 1HB ALA 526 6.570 8.230 4.826
140 HB2 ALA 526 2HB ALA 526 7.493 9.468 5.678
141 HB3 ALA 526 3HB ALA 526 8.063 7.799 5.660
142 H ILE 527 H ILE 527 10.208 7.952 2.351
143 HA ILE 527 HA ILE 527 12.369 8.861 4.106
144 HB ILE 527 HB ILE 527 13.282 6.482 2.998
145 HG12 ILE 527 2HG1 ILE 527 10.837 6.027 2.494
146 HG13 ILE 527 1HG1 ILE 527 11.671 4.792 3.425
147 HG21 ILE 527 1HG2 ILE 527 13.373 5.694 5.281
148 HG22 ILE 527 2HG2 ILE 527 12.187 6.904 5.773
149 HG23 ILE 527 3HG2 ILE 527 13.786 7.407 5.225
150 HD11 ILE 527 3HD1 ILE 527 10.518 6.629 5.242
151 HD12 ILE 527 1HD1 ILE 527 10.115 4.932 4.984
152 HD13 ILE 527 2HD1 ILE 527 9.299 6.186 4.050
153 H GLY 528 H GLY 528 11.594 7.380 0.961
154 HA2 GLY 528 2HA GLY 528 12.521 9.281 -0.736
155 HA3 GLY 528 1HA GLY 528 13.989 8.449 -0.252
156 H LEU 529 H LEU 529 12.516 5.895 -0.001
157 HA LEU 529 HA LEU 529 11.788 4.138 -1.207
158 HB2 LEU 529 2HB LEU 529 10.666 6.156 -2.590
159 HB3 LEU 529 1HB LEU 529 11.729 5.490 -3.816
160 HG LEU 529 HG LEU 529 9.355 4.259 -2.504
161 HD11 LEU 529 1HD1 LEU 529 9.483 3.368 -5.057
162 HD12 LEU 529 2HD1 LEU 529 10.308 4.920 -5.201
163 HD13 LEU 529 3HD1 LEU 529 8.667 4.850 -4.562
164 HD21 LEU 529 3HD2 LEU 529 11.616 2.701 -3.733
165 HD22 LEU 529 1HD2 LEU 529 10.068 2.040 -3.208
166 HD23 LEU 529 2HD2 LEU 529 11.189 2.717 -2.020
167 H ALA 530 H ALA 530 14.376 6.087 -2.422
168 HA ALA 530 HA ALA 530 15.438 4.003 -4.060
169 HB1 ALA 530 1HB ALA 530 15.776 6.680 -4.073
170 HB2 ALA 530 2HB ALA 530 16.873 5.546 -4.862
171 HB3 ALA 530 3HB ALA 530 17.257 6.173 -3.259
172 H TRP 531 H TRP 531 15.671 4.851 -0.762
173 HA TRP 531 HA TRP 531 18.165 3.937 0.009
174 HB2 TRP 531 2HB TRP 531 17.041 3.428 2.221
175 HB3 TRP 531 1HB TRP 531 16.776 5.056 1.612
176 HD1 TRP 531 HD TRP 531 14.350 5.149 0.038
177 HE1 TRP 531 1HE TRP 531 12.067 4.310 0.790
178 HE3 TRP 531 3HE TRP 531 15.850 1.948 3.725
179 HZ2 TRP 531 2HZ TRP 531 11.002 2.524 2.711
180 HZ3 TRP 531 3HZ TRP 531 14.130 0.714 4.982
181 HH2 TRP 531 HH TRP 531 11.756 0.999 4.485
182 H ILE 532 H ILE 532 15.407 2.207 -1.070
183 HA ILE 532 HA ILE 532 16.667 -0.363 -0.426
184 HB ILE 532 HB ILE 532 14.373 -1.297 -0.647
185 HG12 ILE 532 2HG1 ILE 532 13.829 1.491 -1.397
186 HG13 ILE 532 1HG1 ILE 532 12.953 0.037 -1.797
187 HG21 ILE 532 1HG2 ILE 532 13.567 -0.344 1.537
188 HG22 ILE 532 2HG2 ILE 532 14.884 0.828 1.416
189 HG23 ILE 532 3HG2 ILE 532 15.246 -0.895 1.536
190 HD11 ILE 532 3HD1 ILE 532 11.478 0.303 -0.110
191 HD12 ILE 532 1HD1 ILE 532 11.947 1.990 -0.298
192 HD13 ILE 532 2HD1 ILE 532 12.670 1.013 0.973
193 HA PRO 533 HA PRO 533 16.880 -0.488 -4.922
194 HB2 PRO 533 2HB PRO 533 18.808 -2.305 -5.143
195 HB3 PRO 533 1HB PRO 533 19.145 -0.694 -4.498
196 HG2 PRO 533 2HG PRO 533 18.825 -3.284 -3.055
197 HG3 PRO 533 1HG PRO 533 19.930 -1.940 -2.720
198 HD2 PRO 533 2HD PRO 533 17.485 -2.432 -1.434
199 HD3 PRO 533 1HD PRO 533 18.414 -0.922 -1.372
200 H TYR 534 H TYR 534 14.832 -2.152 -3.454
201 HA TYR 534 HA TYR 534 13.932 -3.738 -5.525
202 HB2 TYR 534 2HB TYR 534 14.431 -6.045 -4.585
203 HB3 TYR 534 1HB TYR 534 15.786 -5.217 -5.342
204 HD1 TYR 534 1HD TYR 534 14.235 -5.787 -1.982
205 HD2 TYR 534 2HD TYR 534 17.796 -5.047 -4.198
206 HE1 TYR 534 1HE TYR 534 15.565 -6.087 0.059
207 HE2 TYR 534 2HE TYR 534 19.132 -5.347 -2.157
208 HH TYR 534 HH TYR 534 18.769 -5.158 0.327
209 H PHE 535 H PHE 535 14.242 -3.417 -2.071
210 HA PHE 535 HA PHE 535 11.855 -4.792 -1.405
211 HB2 PHE 535 2HB PHE 535 13.416 -4.690 0.289
212 HB3 PHE 535 1HB PHE 535 13.786 -3.005 0.013
213 HD1 PHE 535 2HD PHE 535 12.125 -1.286 0.716
214 HD2 PHE 535 1HD PHE 535 11.862 -5.352 1.903
215 HE1 PHE 535 2HE PHE 535 10.657 -0.630 2.577
216 HE2 PHE 535 1HE PHE 535 10.391 -4.713 3.777
217 HZ PHE 535 HZ PHE 535 9.795 -2.344 4.111
218 H GLY 536 H GLY 536 12.521 -1.638 -2.519
219 HA2 GLY 536 2HA GLY 536 9.765 -0.790 -1.847
220 HA3 GLY 536 1HA GLY 536 11.110 0.326 -2.003
221 HA PRO 537 HA PRO 537 10.433 1.137 -6.267
222 HB2 PRO 537 2HB PRO 537 13.005 -0.189 -6.975
223 HB3 PRO 537 1HB PRO 537 12.434 1.437 -7.365
224 HG2 PRO 537 2HG PRO 537 14.287 1.045 -5.482
225 HG3 PRO 537 1HG PRO 537 13.039 2.291 -5.296
226 HD2 PRO 537 2HD PRO 537 13.270 -0.377 -3.991
227 HD3 PRO 537 1HD PRO 537 12.627 1.147 -3.347
228 H ALA 538 H ALA 538 11.828 -2.058 -5.652
229 HA ALA 538 HA ALA 538 10.416 -3.202 -7.935
230 HB1 ALA 538 1HB ALA 538 12.040 -4.815 -6.014
231 HB2 ALA 538 2HB ALA 538 12.844 -3.746 -7.164
232 HB3 ALA 538 3HB ALA 538 11.800 -5.041 -7.747
233 H ALA 539 H ALA 539 10.005 -2.778 -4.577
234 HA ALA 539 HA ALA 539 8.703 -4.965 -3.629
235 HB1 ALA 539 1HB ALA 539 7.310 -2.505 -2.920
236 HB2 ALA 539 2HB ALA 539 9.064 -2.382 -2.796
237 HB3 ALA 539 3HB ALA 539 8.205 -3.638 -1.906
238 H GLU 540 H GLU 540 7.143 -2.313 -5.423
239 HA GLU 540 HA GLU 540 5.330 -2.260 -6.777
240 HB2 GLU 540 2HB GLU 540 5.281 -5.254 -6.495
241 HB3 GLU 540 1HB GLU 540 4.448 -4.307 -7.717
242 HG2 GLU 540 2HG GLU 540 7.185 -3.616 -7.823
243 HG3 GLU 540 1HG GLU 540 7.079 -5.374 -7.764
244 H GLY 541 H GLY 541 4.710 -4.846 -4.389
245 HA2 GLY 541 2HA GLY 541 2.074 -3.626 -3.906
246 HA3 GLY 541 1HA GLY 541 2.507 -5.286 -3.535
247 H ILE 542 H ILE 542 4.651 -2.690 -2.700
248 HA ILE 542 HA ILE 542 3.667 -2.590 0.037
249 HB ILE 542 HB ILE 542 6.577 -3.058 -0.201
250 HG12 ILE 542 2HG1 ILE 542 6.137 -5.559 0.002
251 HG13 ILE 542 1HG1 ILE 542 4.512 -5.217 -0.588
252 HG21 ILE 542 1HG2 ILE 542 4.468 -3.205 1.806
253 HG22 ILE 542 2HG2 ILE 542 6.198 -2.911 1.997
254 HG23 ILE 542 3HG2 ILE 542 5.593 -4.563 1.868
255 HD11 ILE 542 3HD1 ILE 542 6.085 -3.923 -2.417
256 HD12 ILE 542 1HD1 ILE 542 5.387 -5.532 -2.616
257 HD13 ILE 542 2HD1 ILE 542 7.041 -5.356 -2.029
258 H TYR 543 H TYR 543 4.802 -0.967 -2.593
259 HA TYR 543 HA TYR 543 5.811 1.194 -0.945
260 HB2 TYR 543 2HB TYR 543 7.656 1.430 -2.226
261 HB3 TYR 543 1HB TYR 543 7.385 -0.269 -2.550
262 HD1 TYR 543 2HD TYR 543 6.153 -0.916 -4.643
263 HD2 TYR 543 1HD TYR 543 7.615 3.019 -3.962
264 HE1 TYR 543 2HE TYR 543 5.996 -0.444 -7.052
265 HE2 TYR 543 1HE TYR 543 7.463 3.506 -6.362
266 HH TYR 543 HH TYR 543 5.811 1.473 -8.550
267 H ILE 544 H ILE 544 4.287 0.249 -3.982
268 HA ILE 544 HA ILE 544 3.115 1.443 -5.559
269 HB ILE 544 HB ILE 544 1.545 2.272 -3.128
270 HG12 ILE 544 2HG1 ILE 544 0.337 0.012 -3.757
271 HG13 ILE 544 1HG1 ILE 544 1.923 -0.411 -4.390
272 HG21 ILE 544 1HG2 ILE 544 -0.347 1.783 -4.787
273 HG22 ILE 544 2HG2 ILE 544 0.909 1.834 -6.024
274 HG23 ILE 544 3HG2 ILE 544 0.598 3.252 -5.024
275 HD11 ILE 544 3HD1 ILE 544 2.874 0.093 -2.150
276 HD12 ILE 544 1HD1 ILE 544 1.734 -1.249 -2.167
277 HD13 ILE 544 2HD1 ILE 544 1.232 0.328 -1.561
278 H GLU 545 H GLU 545 2.782 3.628 -2.800
279 HA GLU 545 HA GLU 545 3.141 5.854 -2.543
280 HB2 GLU 545 2HB GLU 545 5.050 5.550 -4.860
281 HB3 GLU 545 1HB GLU 545 5.028 6.857 -3.679
282 HG2 GLU 545 2HG GLU 545 5.287 4.874 -1.980
283 HG3 GLU 545 1HG GLU 545 5.954 4.050 -3.389
284 H GLY 546 H GLY 546 1.005 4.962 -4.197
285 HA2 GLY 546 2HA GLY 546 0.558 7.443 -5.675
286 HA3 GLY 546 1HA GLY 546 0.412 5.938 -6.569
287 H LEU 547 H LEU 547 -0.516 5.658 -3.308
288 HA LEU 547 HA LEU 547 -3.259 6.471 -3.709
289 HB2 LEU 547 2HB LEU 547 -4.313 4.433 -3.815
290 HB3 LEU 547 1HB LEU 547 -2.894 4.164 -4.808
291 HG LEU 547 HG LEU 547 -3.272 3.246 -1.957
292 HD11 LEU 547 1HD1 LEU 547 -4.553 1.995 -3.658
293 HD12 LEU 547 2HD1 LEU 547 -3.302 1.023 -2.883
294 HD13 LEU 547 3HD1 LEU 547 -3.044 1.658 -4.507
295 HD21 LEU 547 3HD2 LEU 547 -1.036 3.363 -1.887
296 HD22 LEU 547 1HD2 LEU 547 -0.890 3.540 -3.634
297 HD23 LEU 547 2HD2 LEU 547 -1.087 1.937 -2.923
298 H MET 548 H MET 548 -0.736 5.416 -1.620
299 HA MET 548 HA MET 548 -2.294 4.954 0.699
300 HB2 MET 548 2HB MET 548 0.019 5.489 1.838
301 HB3 MET 548 1HB MET 548 -0.225 3.995 0.950
302 HG2 MET 548 2HG MET 548 1.922 4.966 0.427
303 HG3 MET 548 1HG MET 548 0.888 4.960 -0.996
304 HE1 MET 548 3HE MET 548 0.397 7.956 -2.267
305 HE2 MET 548 1HE MET 548 1.118 6.356 -2.441
306 HE3 MET 548 2HE MET 548 2.150 7.783 -2.355
307 H HIS 549 H HIS 549 -3.595 7.001 0.100
308 HA HIS 549 HA HIS 549 -2.442 9.309 1.519
309 HB2 HIS 549 2HB HIS 549 -4.819 9.629 -0.249
310 HB3 HIS 549 1HB HIS 549 -3.509 10.754 0.081
311 HD1 HIS 549 1HD HIS 549 -4.698 9.688 -2.766
312 HD2 HIS 549 2HD HIS 549 -1.064 8.742 -0.989
313 HE1 HIS 549 1HE HIS 549 -3.202 8.960 -4.649
314 HE2 HIS 549 2HE HIS 549 -0.972 8.512 -3.564
315 H ASN 550 H ASN 550 -5.380 7.416 1.002
316 HA ASN 550 HA ASN 550 -6.202 7.296 3.630
317 HB2 ASN 550 2HB ASN 550 -6.862 9.850 2.349
318 HB3 ASN 550 1HB ASN 550 -8.259 9.027 3.036
319 HD21 ASN 550 1HD2 ASN 550 -7.803 8.111 5.294
320 HD22 ASN 550 2HD2 ASN 550 -7.006 9.187 6.387
321 H GLN 551 H GLN 551 -8.174 8.373 0.899
322 HA GLN 551 HA GLN 551 -10.044 7.448 -0.023
323 HB2 GLN 551 2HB GLN 551 -9.039 4.869 -0.662
324 HB3 GLN 551 1HB GLN 551 -9.196 6.274 -1.698
325 HG2 GLN 551 2HG GLN 551 -6.964 5.756 -1.896
326 HG3 GLN 551 1HG GLN 551 -6.953 7.018 -0.670
327 HE21 GLN 551 1HE2 GLN 551 -7.775 3.585 -0.355
328 HE22 GLN 551 2HE2 GLN 551 -6.537 3.219 0.789
329 H ASP 552 H ASP 552 -8.879 4.343 1.100
330 HA ASP 552 HA ASP 552 -9.794 2.730 2.405
331 HB2 ASP 552 2HB ASP 552 -10.117 5.126 3.846
332 HB3 ASP 552 1HB ASP 552 -11.668 4.298 3.954
333 H GLY 553 H GLY 553 -11.184 3.941 -0.037
334 HA2 GLY 553 2HA GLY 553 -13.813 2.682 0.445
335 HA3 GLY 553 1HA GLY 553 -13.621 4.112 -0.559
336 H LEU 554 H LEU 554 -11.130 3.156 -1.741
337 HA LEU 554 HA LEU 554 -12.267 1.634 -3.889
338 HB2 LEU 554 2HB LEU 554 -10.013 1.800 -4.867
339 HB3 LEU 554 1HB LEU 554 -10.663 3.354 -4.384
340 HG LEU 554 HG LEU 554 -9.222 2.557 -2.151
341 HD11 LEU 554 1HD1 LEU 554 -8.332 0.766 -3.837
342 HD12 LEU 554 2HD1 LEU 554 -7.217 1.615 -2.767
343 HD13 LEU 554 3HD1 LEU 554 -7.371 2.112 -4.451
344 HD21 LEU 554 3HD2 LEU 554 -9.272 4.802 -2.966
345 HD22 LEU 554 1HD2 LEU 554 -8.477 4.335 -4.469
346 HD23 LEU 554 2HD2 LEU 554 -7.591 4.271 -2.947
347 H ILE 555 H ILE 555 -11.146 0.720 -0.928
348 HA ILE 555 HA ILE 555 -10.587 -1.991 -1.857
349 HB ILE 555 HB ILE 555 -8.716 -2.216 -0.299
350 HG12 ILE 555 2HG1 ILE 555 -9.431 -0.438 1.288
351 HG13 ILE 555 1HG1 ILE 555 -7.750 -0.302 0.819
352 HG21 ILE 555 1HG2 ILE 555 -8.706 -0.817 -2.733
353 HG22 ILE 555 2HG2 ILE 555 -7.377 -1.701 -1.985
354 HG23 ILE 555 3HG2 ILE 555 -7.581 0.022 -1.666
355 HD11 ILE 555 3HD1 ILE 555 -9.025 1.262 -1.022
356 HD12 ILE 555 1HD1 ILE 555 -8.177 1.825 0.416
357 HD13 ILE 555 2HD1 ILE 555 -9.921 1.565 0.465
358 H CYS 556 H CYS 556 -11.279 0.199 0.806
359 HA CYS 556 HA CYS 556 -12.516 -2.023 2.268
360 HB2 CYS 556 2HB CYS 556 -10.543 -0.220 3.078
361 HB3 CYS 556 1HB CYS 556 -12.013 0.366 3.851
362 H GLY 557 H GLY 557 -14.346 -1.416 0.667
363 HA2 GLY 557 2HA GLY 557 -16.477 -0.343 2.034
364 HA3 GLY 557 1HA GLY 557 -15.772 1.017 1.178
365 H LEU 558 H LEU 558 -14.961 -0.741 -1.094
366 HA LEU 558 HA LEU 558 -17.015 -0.269 -2.840
367 HB2 LEU 558 2HB LEU 558 -16.036 -2.343 -4.099
368 HB3 LEU 558 1HB LEU 558 -15.099 -0.873 -3.928
369 HG LEU 558 HG LEU 558 -14.688 -2.828 -1.768
370 HD11 LEU 558 1HD1 LEU 558 -14.240 -3.538 -4.621
371 HD12 LEU 558 2HD1 LEU 558 -14.709 -4.558 -3.260
372 HD13 LEU 558 3HD1 LEU 558 -13.037 -4.023 -3.426
373 HD21 LEU 558 3HD2 LEU 558 -13.082 -1.276 -1.585
374 HD22 LEU 558 1HD2 LEU 558 -13.207 -0.799 -3.278
375 HD23 LEU 558 2HD2 LEU 558 -12.268 -2.221 -2.830
376 H ARG 559 H ARG 559 -16.343 -3.496 -1.472
377 HA ARG 559 HA ARG 559 -19.037 -4.030 -0.814
378 HB2 ARG 559 2HB ARG 559 -19.576 -5.688 -2.506
379 HB3 ARG 559 1HB ARG 559 -19.217 -4.153 -3.291
380 HG2 ARG 559 2HG ARG 559 -16.903 -5.912 -2.944
381 HG3 ARG 559 1HG ARG 559 -18.161 -6.548 -4.009
382 HD2 ARG 559 2HD ARG 559 -18.008 -4.011 -4.903
383 HD3 ARG 559 1HD ARG 559 -16.350 -4.246 -4.354
384 HE ARG 559 HE ARG 559 -16.007 -5.687 -6.101
385 HH11 ARG 559 1HH1 ARG 559 -19.436 -5.153 -5.729
386 HH12 ARG 559 2HH1 ARG 559 -19.849 -5.979 -7.194
387 HH21 ARG 559 1HH2 ARG 559 -16.549 -6.774 -8.026
388 HH22 ARG 559 2HH2 ARG 559 -18.211 -6.901 -8.497
389 H GLN 560 H GLN 560 -16.473 -4.211 0.314
390 HA GLN 560 HA GLN 560 -15.983 -7.078 0.581
391 HB2 GLN 560 2HB GLN 560 -13.946 -6.206 1.903
392 HB3 GLN 560 1HB GLN 560 -13.957 -6.009 0.156
393 HG2 GLN 560 2HG GLN 560 -13.148 -4.026 1.444
394 HG3 GLN 560 1HG GLN 560 -14.469 -3.701 0.324
395 HE21 GLN 560 1HE2 GLN 560 -16.170 -2.651 1.074
396 HE22 GLN 560 2HE2 GLN 560 -16.554 -2.407 2.740
Start of MODEL 15
1 H1 ALA 507 1HT ALA 507 -12.261 -11.925 -6.263
2 H2 ALA 507 2HT ALA 507 -10.706 -11.199 -6.252
3 H3 ALA 507 3HT ALA 507 -11.253 -12.038 -7.645
4 HA ALA 507 HA ALA 507 -11.304 -9.541 -7.658
5 HB1 ALA 507 1HB ALA 507 -13.786 -9.780 -8.630
6 HB2 ALA 507 2HB ALA 507 -13.349 -11.486 -8.534
7 HB3 ALA 507 3HB ALA 507 -12.358 -10.373 -9.478
8 H GLN 508 H GLN 508 -11.789 -10.233 -4.848
9 HA GLN 508 HA GLN 508 -13.486 -8.020 -4.198
10 HB2 GLN 508 2HB GLN 508 -14.477 -10.815 -3.915
11 HB3 GLN 508 1HB GLN 508 -14.851 -9.681 -2.625
12 HG2 GLN 508 2HG GLN 508 -15.699 -8.146 -4.500
13 HG3 GLN 508 1HG GLN 508 -15.683 -9.601 -5.497
14 HE21 GLN 508 1HE2 GLN 508 -17.783 -7.767 -4.146
15 HE22 GLN 508 2HE2 GLN 508 -18.906 -8.897 -3.480
16 HA PRO 509 HA PRO 509 -10.242 -9.433 -1.074
17 HB2 PRO 509 2HB PRO 509 -8.295 -7.651 -1.578
18 HB3 PRO 509 1HB PRO 509 -8.434 -9.161 -2.487
19 HG2 PRO 509 2HG PRO 509 -9.304 -6.402 -3.255
20 HG3 PRO 509 1HG PRO 509 -8.484 -7.630 -4.236
21 HD2 PRO 509 2HD PRO 509 -11.175 -7.156 -4.346
22 HD3 PRO 509 1HD PRO 509 -10.439 -8.728 -4.715
23 H LYS 510 H LYS 510 -11.346 -8.702 0.685
24 HA LYS 510 HA LYS 510 -12.176 -6.023 1.066
25 HB2 LYS 510 2HB LYS 510 -11.803 -8.268 3.054
26 HB3 LYS 510 1HB LYS 510 -12.587 -6.738 3.419
27 HG2 LYS 510 2HG LYS 510 -14.512 -7.395 2.520
28 HG3 LYS 510 1HG LYS 510 -13.717 -8.011 1.071
29 HD2 LYS 510 2HD LYS 510 -13.039 -9.792 3.132
30 HD3 LYS 510 1HD LYS 510 -14.757 -9.449 3.339
31 HE2 LYS 510 2HE LYS 510 -14.875 -9.859 0.774
32 HE3 LYS 510 1HE LYS 510 -13.335 -10.683 1.015
33 HZ1 LYS 510 3HZ LYS 510 -14.652 -11.874 2.898
34 HZ2 LYS 510 1HZ LYS 510 -14.815 -12.387 1.294
35 HZ3 LYS 510 2HZ LYS 510 -16.005 -11.411 1.996
36 H CYS 511 H CYS 511 -10.929 -4.326 1.463
37 HA CYS 511 HA CYS 511 -9.215 -3.014 2.182
38 HB2 CYS 511 2HB CYS 511 -9.856 -4.786 4.350
39 HB3 CYS 511 1HB CYS 511 -8.125 -4.468 4.352
40 H ASN 512 H ASN 512 -7.753 -3.141 0.545
41 HA ASN 512 HA ASN 512 -5.891 -5.376 0.484
42 HB2 ASN 512 2HB ASN 512 -6.111 -3.121 -1.507
43 HB3 ASN 512 1HB ASN 512 -5.227 -4.627 -1.703
44 HD21 ASN 512 1HD2 ASN 512 -8.482 -3.345 -1.173
45 HD22 ASN 512 2HD2 ASN 512 -9.300 -4.587 -2.046
46 HA PRO 513 HA PRO 513 -2.887 -1.855 1.368
47 HB2 PRO 513 2HB PRO 513 -3.592 0.664 0.750
48 HB3 PRO 513 1HB PRO 513 -3.200 -0.530 -0.491
49 HG2 PRO 513 2HG PRO 513 -5.780 0.675 0.099
50 HG3 PRO 513 1HG PRO 513 -5.320 -0.351 -1.268
51 HD2 PRO 513 2HD PRO 513 -6.620 -1.096 1.277
52 HD3 PRO 513 1HD PRO 513 -6.624 -1.933 -0.287
53 H ASN 514 H ASN 514 -5.581 -2.121 3.058
54 HA ASN 514 HA ASN 514 -4.886 0.002 4.977
55 HB2 ASN 514 2HB ASN 514 -7.484 -0.905 3.912
56 HB3 ASN 514 1HB ASN 514 -7.440 -0.684 5.659
57 HD21 ASN 514 1HD2 ASN 514 -7.290 0.861 2.562
58 HD22 ASN 514 2HD2 ASN 514 -7.397 2.485 3.138
59 H LEU 515 H LEU 515 -3.367 -2.041 5.251
60 HA LEU 515 HA LEU 515 -4.570 -3.741 7.331
61 HB2 LEU 515 2HB LEU 515 -2.074 -4.619 6.017
62 HB3 LEU 515 1HB LEU 515 -3.440 -5.561 6.570
63 HG LEU 515 HG LEU 515 -3.388 -5.825 4.237
64 HD11 LEU 515 1HD1 LEU 515 -5.566 -4.715 5.483
65 HD12 LEU 515 2HD1 LEU 515 -5.552 -5.441 3.876
66 HD13 LEU 515 3HD1 LEU 515 -5.366 -3.699 4.058
67 HD21 LEU 515 3HD2 LEU 515 -2.400 -4.367 2.886
68 HD22 LEU 515 1HD2 LEU 515 -2.192 -3.272 4.252
69 HD23 LEU 515 2HD2 LEU 515 -3.633 -3.156 3.241
70 H HIS 516 H HIS 516 -1.369 -2.525 6.291
71 HA HIS 516 HA HIS 516 -0.814 -1.266 8.749
72 HB2 HIS 516 2HB HIS 516 0.450 -2.770 9.940
73 HB3 HIS 516 1HB HIS 516 -0.715 -3.864 9.199
74 HD1 HIS 516 1HD HIS 516 0.148 -5.433 7.348
75 HD2 HIS 516 2HD HIS 516 3.033 -2.912 8.933
76 HE1 HIS 516 1HE HIS 516 2.317 -6.206 6.356
77 HE2 HIS 516 2HE HIS 516 4.060 -4.654 7.308
78 H TYR 517 H TYR 517 0.950 -3.135 6.263
79 HA TYR 517 HA TYR 517 3.256 -1.635 6.161
80 HB2 TYR 517 2HB TYR 517 2.690 -2.376 3.471
81 HB3 TYR 517 1HB TYR 517 3.853 -3.070 4.577
82 HD1 TYR 517 1HD TYR 517 0.092 -3.341 4.720
83 HD2 TYR 517 2HD TYR 517 3.812 -5.301 4.035
84 HE1 TYR 517 1HE TYR 517 -1.072 -5.491 4.568
85 HE2 TYR 517 2HE TYR 517 2.647 -7.458 3.889
86 HH TYR 517 HH TYR 517 0.244 -8.330 4.925
87 H TRP 518 H TRP 518 0.182 -0.567 5.260
88 HA TRP 518 HA TRP 518 1.374 1.596 3.666
89 HB2 TRP 518 2HB TRP 518 -1.500 0.822 3.347
90 HB3 TRP 518 1HB TRP 518 -0.410 1.537 2.181
91 HD1 TRP 518 HD TRP 518 0.363 -1.752 3.988
92 HE1 TRP 518 1HE TRP 518 0.495 -3.599 2.280
93 HE3 TRP 518 3HE TRP 518 -1.174 0.848 -0.127
94 HZ2 TRP 518 2HZ TRP 518 -0.009 -3.984 -0.467
95 HZ3 TRP 518 3HZ TRP 518 -1.332 -0.352 -2.269
96 HH2 TRP 518 HH TRP 518 -0.758 -2.719 -2.437
97 H THR 519 H THR 519 -1.111 0.649 5.936
98 HA THR 519 HA THR 519 -2.059 3.293 6.454
99 HB THR 519 HB THR 519 -3.458 1.299 6.785
100 HG1 THR 519 1HG THR 519 -4.407 2.059 8.579
101 HG21 THR 519 3HG2 THR 519 -1.225 0.458 8.443
102 HG22 THR 519 1HG2 THR 519 -2.523 -0.489 7.716
103 HG23 THR 519 2HG2 THR 519 -2.785 0.321 9.259
104 H THR 520 H THR 520 0.583 1.416 7.619
105 HA THR 520 HA THR 520 0.827 2.864 10.102
106 HB THR 520 HB THR 520 1.613 0.397 9.439
107 HG1 THR 520 1HG THR 520 3.083 1.984 11.257
108 HG21 THR 520 3HG2 THR 520 4.079 0.297 9.396
109 HG22 THR 520 1HG2 THR 520 4.115 2.032 9.079
110 HG23 THR 520 2HG2 THR 520 3.379 0.934 7.910
111 H GLN 521 H GLN 521 2.872 2.599 7.193
112 HA GLN 521 HA GLN 521 4.145 5.106 7.978
113 HB2 GLN 521 2HB GLN 521 5.991 4.500 6.651
114 HB3 GLN 521 1HB GLN 521 5.499 3.023 7.468
115 HG2 GLN 521 2HG GLN 521 4.661 2.077 5.526
116 HG3 GLN 521 1HG GLN 521 4.544 3.629 4.708
117 HE21 GLN 521 1HE2 GLN 521 6.601 4.725 4.183
118 HE22 GLN 521 2HE2 GLN 521 7.965 3.745 3.773
119 H ASP 522 H ASP 522 5.092 5.728 5.358
120 HA ASP 522 HA ASP 522 2.632 6.881 4.269
121 HB2 ASP 522 2HB ASP 522 5.480 7.719 4.314
122 HB3 ASP 522 1HB ASP 522 4.459 8.281 2.997
123 H GLU 523 H GLU 523 3.403 4.182 3.714
124 HA GLU 523 HA GLU 523 3.799 2.705 2.004
125 HB2 GLU 523 2HB GLU 523 1.889 4.733 1.122
126 HB3 GLU 523 1HB GLU 523 2.694 3.916 -0.215
127 HG2 GLU 523 2HG GLU 523 2.035 1.761 0.724
128 HG3 GLU 523 1HG GLU 523 1.205 2.599 2.032
129 H GLY 524 H GLY 524 6.104 3.254 2.190
130 HA2 GLY 524 2HA GLY 524 8.026 3.319 0.823
131 HA3 GLY 524 1HA GLY 524 7.100 4.205 -0.385
132 H ALA 525 H ALA 525 5.988 5.941 1.789
133 HA ALA 525 HA ALA 525 6.416 8.011 2.587
134 HB1 ALA 525 1HB ALA 525 9.173 7.529 3.363
135 HB2 ALA 525 2HB ALA 525 8.054 6.276 3.900
136 HB3 ALA 525 3HB ALA 525 7.777 7.958 4.353
137 H ALA 526 H ALA 526 7.662 7.140 -0.191
138 HA ALA 526 HA ALA 526 8.957 8.084 -1.802
139 HB1 ALA 526 1HB ALA 526 8.405 10.800 -0.763
140 HB2 ALA 526 2HB ALA 526 7.014 9.790 -1.158
141 HB3 ALA 526 3HB ALA 526 8.220 10.151 -2.393
142 H ILE 527 H ILE 527 10.079 7.726 1.043
143 HA ILE 527 HA ILE 527 11.935 9.671 1.654
144 HB ILE 527 HB ILE 527 13.328 7.515 2.404
145 HG12 ILE 527 2HG1 ILE 527 11.933 5.647 2.957
146 HG13 ILE 527 1HG1 ILE 527 10.492 6.489 2.405
147 HG21 ILE 527 1HG2 ILE 527 12.489 9.217 3.889
148 HG22 ILE 527 2HG2 ILE 527 12.112 7.621 4.537
149 HG23 ILE 527 3HG2 ILE 527 10.854 8.571 3.745
150 HD11 ILE 527 3HD1 ILE 527 12.712 5.965 0.490
151 HD12 ILE 527 1HD1 ILE 527 10.984 6.145 0.189
152 HD13 ILE 527 2HD1 ILE 527 11.602 4.667 0.928
153 H GLY 528 H GLY 528 11.971 7.413 -0.968
154 HA2 GLY 528 2HA GLY 528 13.787 8.633 -2.549
155 HA3 GLY 528 1HA GLY 528 14.813 7.710 -1.465
156 H LEU 529 H LEU 529 13.602 5.358 -1.190
157 HA LEU 529 HA LEU 529 13.103 3.347 -2.132
158 HB2 LEU 529 2HB LEU 529 12.463 5.040 -4.526
159 HB3 LEU 529 1HB LEU 529 12.312 3.298 -4.526
160 HG LEU 529 HG LEU 529 10.573 3.365 -2.888
161 HD11 LEU 529 1HD1 LEU 529 11.193 6.303 -2.678
162 HD12 LEU 529 2HD1 LEU 529 11.371 5.074 -1.427
163 HD13 LEU 529 3HD1 LEU 529 9.763 5.538 -1.983
164 HD21 LEU 529 3HD2 LEU 529 10.348 5.205 -5.217
165 HD22 LEU 529 1HD2 LEU 529 9.013 5.118 -4.068
166 HD23 LEU 529 2HD2 LEU 529 9.548 3.664 -4.913
167 H ALA 530 H ALA 530 15.400 5.459 -3.542
168 HA ALA 530 HA ALA 530 16.627 3.431 -5.151
169 HB1 ALA 530 1HB ALA 530 16.694 6.136 -5.254
170 HB2 ALA 530 2HB ALA 530 17.864 5.085 -6.052
171 HB3 ALA 530 3HB ALA 530 18.243 5.794 -4.482
172 H TRP 531 H TRP 531 16.868 4.548 -1.933
173 HA TRP 531 HA TRP 531 19.461 3.713 -1.241
174 HB2 TRP 531 2HB TRP 531 18.600 3.806 1.088
175 HB3 TRP 531 1HB TRP 531 18.157 5.236 0.162
176 HD1 TRP 531 HD TRP 531 15.569 4.903 -1.056
177 HE1 TRP 531 1HE TRP 531 13.449 4.147 0.130
178 HE3 TRP 531 3HE TRP 531 17.681 2.609 2.994
179 HZ2 TRP 531 2HZ TRP 531 12.721 2.776 2.490
180 HZ3 TRP 531 3HZ TRP 531 16.194 1.603 4.678
181 HH2 TRP 531 HH TRP 531 13.765 1.685 4.431
182 H ILE 532 H ILE 532 16.651 1.964 -2.002
183 HA ILE 532 HA ILE 532 17.792 -0.478 -0.859
184 HB ILE 532 HB ILE 532 15.386 -1.256 -0.725
185 HG12 ILE 532 2HG1 ILE 532 14.995 1.667 -1.315
186 HG13 ILE 532 1HG1 ILE 532 14.161 0.287 -2.011
187 HG21 ILE 532 1HG2 ILE 532 16.684 -0.725 1.234
188 HG22 ILE 532 2HG2 ILE 532 15.053 -0.088 1.444
189 HG23 ILE 532 3HG2 ILE 532 16.376 0.997 1.008
190 HD11 ILE 532 3HD1 ILE 532 12.527 0.493 -0.538
191 HD12 ILE 532 1HD1 ILE 532 13.301 1.960 0.052
192 HD13 ILE 532 2HD1 ILE 532 13.661 0.408 0.808
193 HA PRO 533 HA PRO 533 17.518 -1.854 -5.072
194 HB2 PRO 533 2HB PRO 533 18.477 -4.318 -4.768
195 HB3 PRO 533 1HB PRO 533 19.495 -2.902 -4.478
196 HG2 PRO 533 2HG PRO 533 18.123 -4.684 -2.512
197 HG3 PRO 533 1HG PRO 533 19.738 -3.959 -2.431
198 HD2 PRO 533 2HD PRO 533 17.467 -2.968 -1.169
199 HD3 PRO 533 1HD PRO 533 18.939 -2.039 -1.507
200 H TYR 534 H TYR 534 15.736 -3.458 -2.516
201 HA TYR 534 HA TYR 534 13.823 -4.367 -4.521
202 HB2 TYR 534 2HB TYR 534 13.735 -6.649 -3.577
203 HB3 TYR 534 1HB TYR 534 15.293 -6.273 -4.305
204 HD1 TYR 534 1HD TYR 534 13.570 -6.231 -0.996
205 HD2 TYR 534 2HD TYR 534 17.228 -6.724 -3.110
206 HE1 TYR 534 1HE TYR 534 14.688 -6.868 1.100
207 HE2 TYR 534 2HE TYR 534 18.357 -7.362 -1.020
208 HH TYR 534 HH TYR 534 16.963 -6.903 2.036
209 H PHE 535 H PHE 535 14.205 -2.718 -1.764
210 HA PHE 535 HA PHE 535 11.948 -3.814 -0.303
211 HB2 PHE 535 2HB PHE 535 13.646 -1.369 0.182
212 HB3 PHE 535 1HB PHE 535 12.358 -1.902 1.248
213 HD1 PHE 535 1HD PHE 535 15.492 -3.146 -0.329
214 HD2 PHE 535 2HD PHE 535 12.893 -3.233 3.036
215 HE1 PHE 535 1HE PHE 535 17.108 -4.544 0.875
216 HE2 PHE 535 2HE PHE 535 14.503 -4.637 4.248
217 HZ PHE 535 HZ PHE 535 16.617 -5.298 3.170
218 H GLY 536 H GLY 536 12.740 -0.977 -2.226
219 HA2 GLY 536 2HA GLY 536 9.910 -0.151 -2.125
220 HA3 GLY 536 1HA GLY 536 11.256 0.929 -2.447
221 HA PRO 537 HA PRO 537 11.182 0.421 -6.826
222 HB2 PRO 537 2HB PRO 537 13.555 -1.377 -6.837
223 HB3 PRO 537 1HB PRO 537 13.279 0.127 -7.723
224 HG2 PRO 537 2HG PRO 537 14.909 0.058 -5.612
225 HG3 PRO 537 1HG PRO 537 13.861 1.455 -5.914
226 HD2 PRO 537 2HD PRO 537 13.574 -0.741 -3.921
227 HD3 PRO 537 1HD PRO 537 13.151 0.978 -3.777
228 H ALA 538 H ALA 538 11.965 -2.578 -5.132
229 HA ALA 538 HA ALA 538 10.592 -4.171 -7.157
230 HB1 ALA 538 1HB ALA 538 12.770 -4.914 -6.212
231 HB2 ALA 538 2HB ALA 538 11.473 -6.095 -6.025
232 HB3 ALA 538 3HB ALA 538 11.976 -5.112 -4.649
233 H ALA 539 H ALA 539 9.963 -2.697 -4.138
234 HA ALA 539 HA ALA 539 8.203 -4.360 -2.853
235 HB1 ALA 539 1HB ALA 539 8.895 -1.626 -2.745
236 HB2 ALA 539 2HB ALA 539 8.073 -2.593 -1.524
237 HB3 ALA 539 3HB ALA 539 7.135 -1.722 -2.737
238 H GLU 540 H GLU 540 6.878 -1.632 -4.686
239 HA GLU 540 HA GLU 540 5.194 -1.461 -6.193
240 HB2 GLU 540 2HB GLU 540 5.065 -4.463 -6.219
241 HB3 GLU 540 1HB GLU 540 4.434 -3.361 -7.430
242 HG2 GLU 540 2HG GLU 540 6.814 -2.614 -7.805
243 HG3 GLU 540 1HG GLU 540 7.301 -3.985 -6.810
244 H GLY 541 H GLY 541 4.647 -3.987 -3.748
245 HA2 GLY 541 2HA GLY 541 1.876 -3.010 -3.499
246 HA3 GLY 541 1HA GLY 541 2.405 -4.627 -3.065
247 H ILE 542 H ILE 542 4.172 -1.716 -2.254
248 HA ILE 542 HA ILE 542 3.171 -1.723 0.475
249 HB ILE 542 HB ILE 542 6.134 -1.790 0.201
250 HG12 ILE 542 2HG1 ILE 542 5.983 -4.312 0.669
251 HG13 ILE 542 1HG1 ILE 542 4.343 -4.206 0.039
252 HG21 ILE 542 1HG2 ILE 542 4.684 -3.169 2.373
253 HG22 ILE 542 2HG2 ILE 542 4.522 -1.415 2.300
254 HG23 ILE 542 3HG2 ILE 542 6.120 -2.148 2.435
255 HD11 ILE 542 3HD1 ILE 542 5.802 -2.938 -1.898
256 HD12 ILE 542 1HD1 ILE 542 5.277 -4.622 -1.939
257 HD13 ILE 542 2HD1 ILE 542 6.893 -4.217 -1.361
258 H TYR 543 H TYR 543 5.191 -0.359 -2.039
259 HA TYR 543 HA TYR 543 5.432 2.143 -0.601
260 HB2 TYR 543 2HB TYR 543 7.345 2.433 -1.763
261 HB3 TYR 543 1HB TYR 543 7.224 0.706 -2.019
262 HD1 TYR 543 2HD TYR 543 5.893 -0.021 -4.147
263 HD2 TYR 543 1HD TYR 543 7.614 3.824 -3.594
264 HE1 TYR 543 2HE TYR 543 5.881 0.326 -6.576
265 HE2 TYR 543 1HE TYR 543 7.611 4.185 -6.021
266 HH TYR 543 HH TYR 543 7.536 2.092 -8.195
267 H ILE 544 H ILE 544 4.113 0.789 -3.574
268 HA ILE 544 HA ILE 544 2.897 1.703 -5.293
269 HB ILE 544 HB ILE 544 1.247 2.803 -3.039
270 HG12 ILE 544 2HG1 ILE 544 0.145 0.533 -3.056
271 HG13 ILE 544 1HG1 ILE 544 1.523 -0.049 -3.982
272 HG21 ILE 544 1HG2 ILE 544 0.776 2.036 -5.871
273 HG22 ILE 544 2HG2 ILE 544 0.171 3.419 -4.960
274 HG23 ILE 544 3HG2 ILE 544 -0.534 1.822 -4.710
275 HD11 ILE 544 3HD1 ILE 544 2.847 -0.126 -2.183
276 HD12 ILE 544 1HD1 ILE 544 1.329 -0.141 -1.291
277 HD13 ILE 544 2HD1 ILE 544 2.207 1.372 -1.511
278 H GLU 545 H GLU 545 2.442 4.197 -2.832
279 HA GLU 545 HA GLU 545 2.731 6.446 -2.837
280 HB2 GLU 545 2HB GLU 545 4.512 6.069 -5.238
281 HB3 GLU 545 1HB GLU 545 4.539 7.388 -4.071
282 HG2 GLU 545 2HG GLU 545 5.092 5.637 -2.328
283 HG3 GLU 545 1HG GLU 545 5.383 4.536 -3.672
284 H GLY 546 H GLY 546 0.596 5.219 -4.285
285 HA2 GLY 546 2HA GLY 546 -0.016 7.445 -6.101
286 HA3 GLY 546 1HA GLY 546 -0.266 5.796 -6.651
287 H LEU 547 H LEU 547 -0.949 5.629 -3.464
288 HA LEU 547 HA LEU 547 -3.680 6.666 -3.679
289 HB2 LEU 547 2HB LEU 547 -4.759 4.649 -3.308
290 HB3 LEU 547 1HB LEU 547 -3.525 4.261 -4.488
291 HG LEU 547 HG LEU 547 -3.355 3.693 -1.528
292 HD11 LEU 547 1HD1 LEU 547 -3.412 1.304 -2.378
293 HD12 LEU 547 2HD1 LEU 547 -3.989 1.968 -3.906
294 HD13 LEU 547 3HD1 LEU 547 -4.932 2.197 -2.433
295 HD21 LEU 547 3HD2 LEU 547 -1.152 3.807 -2.018
296 HD22 LEU 547 1HD2 LEU 547 -1.411 3.565 -3.745
297 HD23 LEU 547 2HD2 LEU 547 -1.443 2.185 -2.647
298 H MET 548 H MET 548 -0.965 6.135 -1.791
299 HA MET 548 HA MET 548 -2.173 5.790 0.747
300 HB2 MET 548 2HB MET 548 0.170 6.764 1.497
301 HB3 MET 548 1HB MET 548 0.009 5.132 0.874
302 HG2 MET 548 2HG MET 548 1.944 6.218 -0.073
303 HG3 MET 548 1HG MET 548 0.754 5.898 -1.329
304 HE1 MET 548 3HE MET 548 0.343 7.128 -2.910
305 HE2 MET 548 1HE MET 548 1.494 8.425 -3.229
306 HE3 MET 548 2HE MET 548 -0.192 8.807 -2.885
307 H HIS 549 H HIS 549 -3.834 7.528 0.278
308 HA HIS 549 HA HIS 549 -2.875 10.022 1.498
309 HB2 HIS 549 2HB HIS 549 -5.091 10.541 -0.294
310 HB3 HIS 549 1HB HIS 549 -3.525 11.330 -0.198
311 HD1 HIS 549 1HD HIS 549 -5.459 9.899 -2.635
312 HD2 HIS 549 2HD HIS 549 -1.541 9.206 -1.447
313 HE1 HIS 549 1HE HIS 549 -4.338 8.835 -4.615
314 HE2 HIS 549 2HE HIS 549 -1.930 8.567 -3.923
315 H ASN 550 H ASN 550 -4.149 7.751 2.695
316 HA ASN 550 HA ASN 550 -5.840 7.220 4.128
317 HB2 ASN 550 2HB ASN 550 -5.047 9.557 4.940
318 HB3 ASN 550 1HB ASN 550 -6.562 10.134 4.254
319 HD21 ASN 550 1HD2 ASN 550 -7.123 10.761 6.402
320 HD22 ASN 550 2HD2 ASN 550 -7.741 9.594 7.516
321 H GLN 551 H GLN 551 -7.224 6.104 2.812
322 HA GLN 551 HA GLN 551 -9.494 7.632 1.747
323 HB2 GLN 551 2HB GLN 551 -9.337 5.262 0.251
324 HB3 GLN 551 1HB GLN 551 -9.032 6.897 -0.306
325 HG2 GLN 551 2HG GLN 551 -7.022 6.114 -0.863
326 HG3 GLN 551 1HG GLN 551 -6.645 6.268 0.849
327 HE21 GLN 551 1HE2 GLN 551 -6.518 4.427 2.118
328 HE22 GLN 551 2HE2 GLN 551 -6.482 2.834 1.454
329 H ASP 552 H ASP 552 -8.817 4.196 1.995
330 HA ASP 552 HA ASP 552 -9.862 2.484 3.072
331 HB2 ASP 552 2HB ASP 552 -9.845 4.502 4.939
332 HB3 ASP 552 1HB ASP 552 -11.559 4.109 4.837
333 H GLY 553 H GLY 553 -11.045 4.007 0.800
334 HA2 GLY 553 2HA GLY 553 -13.801 2.994 1.095
335 HA3 GLY 553 1HA GLY 553 -13.484 4.557 0.356
336 H LEU 554 H LEU 554 -11.120 3.748 -1.036
337 HA LEU 554 HA LEU 554 -12.351 2.545 -3.351
338 HB2 LEU 554 2HB LEU 554 -10.221 3.029 -4.437
339 HB3 LEU 554 1HB LEU 554 -10.849 4.436 -3.599
340 HG LEU 554 HG LEU 554 -9.228 3.327 -1.681
341 HD11 LEU 554 1HD1 LEU 554 -8.520 1.871 -3.828
342 HD12 LEU 554 2HD1 LEU 554 -7.406 2.304 -2.534
343 HD13 LEU 554 3HD1 LEU 554 -7.434 3.246 -4.024
344 HD21 LEU 554 3HD2 LEU 554 -7.573 5.101 -2.499
345 HD22 LEU 554 1HD2 LEU 554 -9.191 5.637 -2.047
346 HD23 LEU 554 2HD2 LEU 554 -8.766 5.456 -3.749
347 H ILE 555 H ILE 555 -11.124 1.236 -0.640
348 HA ILE 555 HA ILE 555 -10.346 -1.228 -2.005
349 HB ILE 555 HB ILE 555 -8.505 -1.586 -0.416
350 HG12 ILE 555 2HG1 ILE 555 -9.303 -0.135 1.406
351 HG13 ILE 555 1HG1 ILE 555 -7.658 0.249 0.945
352 HG21 ILE 555 1HG2 ILE 555 -7.325 0.764 -1.356
353 HG22 ILE 555 2HG2 ILE 555 -8.542 0.325 -2.556
354 HG23 ILE 555 3HG2 ILE 555 -7.289 -0.834 -2.104
355 HD11 ILE 555 3HD1 ILE 555 -9.058 1.958 -0.613
356 HD12 ILE 555 1HD1 ILE 555 -8.354 2.350 0.951
357 HD13 ILE 555 2HD1 ILE 555 -10.050 1.892 0.841
358 H CYS 556 H CYS 556 -11.166 0.377 1.025
359 HA CYS 556 HA CYS 556 -12.286 -2.144 2.013
360 HB2 CYS 556 2HB CYS 556 -10.447 -0.476 3.208
361 HB3 CYS 556 1HB CYS 556 -11.961 0.033 3.952
362 H GLY 557 H GLY 557 -14.437 -2.277 1.943
363 HA2 GLY 557 2HA GLY 557 -16.042 0.027 2.715
364 HA3 GLY 557 1HA GLY 557 -16.278 -0.558 1.078
365 H LEU 558 H LEU 558 -16.747 -2.977 0.928
366 HA LEU 558 HA LEU 558 -18.262 -3.908 3.254
367 HB2 LEU 558 2HB LEU 558 -20.158 -4.533 1.901
368 HB3 LEU 558 1HB LEU 558 -19.846 -2.816 1.738
369 HG LEU 558 HG LEU 558 -19.010 -4.889 -0.291
370 HD11 LEU 558 1HD1 LEU 558 -21.573 -4.219 0.220
371 HD12 LEU 558 2HD1 LEU 558 -20.965 -4.661 -1.375
372 HD13 LEU 558 3HD1 LEU 558 -21.133 -2.962 -0.937
373 HD21 LEU 558 3HD2 LEU 558 -17.699 -3.225 -0.998
374 HD22 LEU 558 1HD2 LEU 558 -18.483 -2.046 0.054
375 HD23 LEU 558 2HD2 LEU 558 -19.187 -2.432 -1.515
376 H ARG 559 H ARG 559 -17.052 -4.798 0.014
377 HA ARG 559 HA ARG 559 -15.656 -7.047 0.919
378 HB2 ARG 559 2HB ARG 559 -17.047 -8.880 0.225
379 HB3 ARG 559 1HB ARG 559 -17.973 -7.882 1.337
380 HG2 ARG 559 2HG ARG 559 -18.322 -7.058 -1.419
381 HG3 ARG 559 1HG ARG 559 -18.781 -8.744 -1.157
382 HD2 ARG 559 2HD ARG 559 -19.753 -7.032 0.965
383 HD3 ARG 559 1HD ARG 559 -20.308 -6.480 -0.615
384 HE ARG 559 HE ARG 559 -20.635 -9.309 -0.135
385 HH11 ARG 559 1HH1 ARG 559 -22.090 -6.145 0.114
386 HH12 ARG 559 2HH1 ARG 559 -23.710 -6.756 0.150
387 HH21 ARG 559 1HH2 ARG 559 -22.765 -10.113 -0.087
388 HH22 ARG 559 2HH2 ARG 559 -24.093 -9.008 0.035
389 H GLN 560 H GLN 560 -15.273 -4.931 -0.869
390 HA GLN 560 HA GLN 560 -15.208 -6.217 -3.501
391 HB2 GLN 560 2HB GLN 560 -14.947 -4.074 -4.462
392 HB3 GLN 560 1HB GLN 560 -16.157 -3.885 -3.200
393 HG2 GLN 560 2HG GLN 560 -13.645 -3.374 -2.021
394 HG3 GLN 560 1HG GLN 560 -13.693 -2.502 -3.551
395 HE21 GLN 560 1HE2 GLN 560 -15.410 -3.029 -0.529
396 HE22 GLN 560 2HE2 GLN 560 -16.206 -1.497 -0.502
Start of MODEL 16
1 H1 ALA 507 1HT ALA 507 -14.244 -14.961 -2.729
2 H2 ALA 507 2HT ALA 507 -15.017 -14.602 -1.239
3 H3 ALA 507 3HT ALA 507 -13.326 -14.365 -1.410
4 HA ALA 507 HA ALA 507 -13.610 -12.613 -2.879
5 HB1 ALA 507 1HB ALA 507 -15.941 -11.887 -3.503
6 HB2 ALA 507 2HB ALA 507 -16.503 -13.440 -2.882
7 HB3 ALA 507 3HB ALA 507 -15.385 -13.387 -4.244
8 H GLN 508 H GLN 508 -14.911 -10.462 -2.406
9 HA GLN 508 HA GLN 508 -15.599 -8.858 -0.934
10 HB2 GLN 508 2HB GLN 508 -17.032 -10.692 0.077
11 HB3 GLN 508 1HB GLN 508 -15.724 -10.974 1.218
12 HG2 GLN 508 2HG GLN 508 -16.798 -9.511 2.504
13 HG3 GLN 508 1HG GLN 508 -16.080 -8.292 1.453
14 HE21 GLN 508 1HE2 GLN 508 -17.484 -8.288 -0.758
15 HE22 GLN 508 2HE2 GLN 508 -19.157 -7.972 -0.471
16 HA PRO 509 HA PRO 509 -11.182 -9.134 0.601
17 HB2 PRO 509 2HB PRO 509 -10.614 -7.060 -1.375
18 HB3 PRO 509 1HB PRO 509 -9.853 -8.636 -1.171
19 HG2 PRO 509 2HG PRO 509 -11.422 -8.058 -3.282
20 HG3 PRO 509 1HG PRO 509 -11.353 -9.682 -2.572
21 HD2 PRO 509 2HD PRO 509 -13.398 -7.522 -2.160
22 HD3 PRO 509 1HD PRO 509 -13.638 -9.256 -2.455
23 H LYS 510 H LYS 510 -12.422 -8.110 2.405
24 HA LYS 510 HA LYS 510 -12.884 -5.310 2.460
25 HB2 LYS 510 2HB LYS 510 -13.227 -5.597 4.850
26 HB3 LYS 510 1HB LYS 510 -14.019 -6.898 3.972
27 HG2 LYS 510 2HG LYS 510 -11.652 -8.062 4.452
28 HG3 LYS 510 1HG LYS 510 -11.744 -6.982 5.844
29 HD2 LYS 510 2HD LYS 510 -12.823 -8.819 6.686
30 HD3 LYS 510 1HD LYS 510 -14.192 -7.942 6.001
31 HE2 LYS 510 2HE LYS 510 -14.224 -9.328 4.073
32 HE3 LYS 510 1HE LYS 510 -12.667 -10.046 4.484
33 HZ1 LYS 510 3HZ LYS 510 -13.602 -11.450 5.957
34 HZ2 LYS 510 1HZ LYS 510 -14.991 -11.201 5.023
35 HZ3 LYS 510 2HZ LYS 510 -14.775 -10.341 6.463
36 H CYS 511 H CYS 511 -11.306 -3.876 2.234
37 HA CYS 511 HA CYS 511 -9.388 -2.713 2.570
38 HB2 CYS 511 2HB CYS 511 -9.918 -4.016 5.110
39 HB3 CYS 511 1HB CYS 511 -8.193 -3.773 4.854
40 H ASN 512 H ASN 512 -8.170 -3.335 0.877
41 HA ASN 512 HA ASN 512 -6.613 -5.792 1.073
42 HB2 ASN 512 2HB ASN 512 -6.888 -3.962 -1.313
43 HB3 ASN 512 1HB ASN 512 -6.186 -5.573 -1.292
44 HD21 ASN 512 1HD2 ASN 512 -9.195 -3.838 -0.621
45 HD22 ASN 512 2HD2 ASN 512 -10.242 -5.107 -1.127
46 HA PRO 513 HA PRO 513 -3.150 -2.620 0.764
47 HB2 PRO 513 2HB PRO 513 -3.741 -0.106 -0.118
48 HB3 PRO 513 1HB PRO 513 -3.504 -1.490 -1.189
49 HG2 PRO 513 2HG PRO 513 -5.935 -0.031 -0.715
50 HG3 PRO 513 1HG PRO 513 -5.683 -1.408 -1.797
51 HD2 PRO 513 2HD PRO 513 -6.737 -1.350 0.969
52 HD3 PRO 513 1HD PRO 513 -7.074 -2.488 -0.348
53 H ASN 514 H ASN 514 -5.534 -2.321 2.820
54 HA ASN 514 HA ASN 514 -4.318 -0.110 4.333
55 HB2 ASN 514 2HB ASN 514 -7.156 -0.818 3.836
56 HB3 ASN 514 1HB ASN 514 -6.759 -0.330 5.479
57 HD21 ASN 514 1HD2 ASN 514 -6.815 0.659 2.126
58 HD22 ASN 514 2HD2 ASN 514 -6.735 2.356 2.433
59 H LEU 515 H LEU 515 -3.093 -2.382 4.520
60 HA LEU 515 HA LEU 515 -4.178 -3.911 6.755
61 HB2 LEU 515 2HB LEU 515 -1.616 -4.643 5.450
62 HB3 LEU 515 1HB LEU 515 -2.885 -5.671 6.076
63 HG LEU 515 HG LEU 515 -2.965 -6.046 3.787
64 HD11 LEU 515 1HD1 LEU 515 -5.103 -4.721 4.984
65 HD12 LEU 515 2HD1 LEU 515 -5.143 -5.725 3.535
66 HD13 LEU 515 3HD1 LEU 515 -4.932 -3.981 3.393
67 HD21 LEU 515 3HD2 LEU 515 -2.025 -4.689 2.300
68 HD22 LEU 515 1HD2 LEU 515 -1.719 -3.538 3.602
69 HD23 LEU 515 2HD2 LEU 515 -3.199 -3.421 2.651
70 H HIS 516 H HIS 516 -1.168 -2.246 5.805
71 HA HIS 516 HA HIS 516 -0.737 -1.140 8.346
72 HB2 HIS 516 2HB HIS 516 0.770 -2.535 9.408
73 HB3 HIS 516 1HB HIS 516 -0.307 -3.709 8.656
74 HD1 HIS 516 1HD HIS 516 0.647 -5.148 6.769
75 HD2 HIS 516 2HD HIS 516 3.293 -2.305 8.219
76 HE1 HIS 516 1HE HIS 516 2.840 -5.657 5.662
77 HE2 HIS 516 2HE HIS 516 4.479 -4.040 6.697
78 H TYR 517 H TYR 517 1.161 -2.557 5.668
79 HA TYR 517 HA TYR 517 3.239 -0.715 5.756
80 HB2 TYR 517 2HB TYR 517 3.014 -1.434 3.042
81 HB3 TYR 517 1HB TYR 517 4.145 -2.033 4.234
82 HD1 TYR 517 1HD TYR 517 0.460 -2.755 4.037
83 HD2 TYR 517 2HD TYR 517 4.433 -4.219 3.576
84 HE1 TYR 517 1HE TYR 517 -0.409 -5.029 3.709
85 HE2 TYR 517 2HE TYR 517 3.563 -6.491 3.246
86 HH TYR 517 HH TYR 517 1.048 -7.385 2.339
87 H TRP 518 H TRP 518 0.078 -0.300 4.447
88 HA TRP 518 HA TRP 518 1.000 2.197 3.185
89 HB2 TRP 518 2HB TRP 518 -1.625 1.108 2.361
90 HB3 TRP 518 1HB TRP 518 -0.383 1.882 1.405
91 HD1 TRP 518 HD TRP 518 0.962 -1.126 3.155
92 HE1 TRP 518 1HE TRP 518 1.175 -3.049 1.543
93 HE3 TRP 518 3HE TRP 518 -1.699 0.822 -0.738
94 HZ2 TRP 518 2HZ TRP 518 0.311 -3.725 -1.066
95 HZ3 TRP 518 3HZ TRP 518 -1.958 -0.541 -2.771
96 HH2 TRP 518 HH TRP 518 -0.968 -2.769 -2.931
97 H THR 519 H THR 519 -1.519 0.671 5.073
98 HA THR 519 HA THR 519 -3.224 2.845 5.435
99 HB THR 519 HB THR 519 -3.887 0.613 6.072
100 HG1 THR 519 1HG THR 519 -4.838 1.112 7.990
101 HG21 THR 519 3HG2 THR 519 -2.888 -0.721 7.628
102 HG22 THR 519 1HG2 THR 519 -2.156 0.633 8.487
103 HG23 THR 519 2HG2 THR 519 -1.478 0.095 6.949
104 H THR 520 H THR 520 -0.178 2.105 6.903
105 HA THR 520 HA THR 520 -0.530 4.204 8.908
106 HB THR 520 HB THR 520 1.103 1.782 8.697
107 HG1 THR 520 1HG THR 520 0.889 1.915 10.948
108 HG21 THR 520 3HG2 THR 520 3.051 3.071 8.580
109 HG22 THR 520 1HG2 THR 520 2.841 2.741 10.301
110 HG23 THR 520 2HG2 THR 520 2.396 4.316 9.644
111 H GLN 521 H GLN 521 2.185 3.207 6.839
112 HA GLN 521 HA GLN 521 2.960 6.012 6.642
113 HB2 GLN 521 2HB GLN 521 5.148 5.233 6.057
114 HB3 GLN 521 1HB GLN 521 4.596 4.312 7.446
115 HG2 GLN 521 2HG GLN 521 4.587 2.369 6.335
116 HG3 GLN 521 1HG GLN 521 4.028 3.097 4.836
117 HE21 GLN 521 1HE2 GLN 521 5.974 4.970 4.347
118 HE22 GLN 521 2HE2 GLN 521 7.487 4.190 4.074
119 H ASP 522 H ASP 522 4.465 6.009 4.412
120 HA ASP 522 HA ASP 522 2.449 6.128 2.335
121 HB2 ASP 522 2HB ASP 522 4.762 7.585 2.980
122 HB3 ASP 522 1HB ASP 522 5.076 6.827 1.425
123 H GLU 523 H GLU 523 3.587 3.520 3.277
124 HA GLU 523 HA GLU 523 4.038 1.488 2.353
125 HB2 GLU 523 2HB GLU 523 3.885 2.836 -0.339
126 HB3 GLU 523 1HB GLU 523 3.659 1.130 0.017
127 HG2 GLU 523 2HG GLU 523 1.568 1.469 0.955
128 HG3 GLU 523 1HG GLU 523 1.859 3.188 1.214
129 H GLY 524 H GLY 524 6.023 4.008 2.391
130 HA2 GLY 524 2HA GLY 524 8.406 3.321 2.654
131 HA3 GLY 524 1HA GLY 524 8.226 2.550 1.085
132 H ALA 525 H ALA 525 6.622 5.580 1.622
133 HA ALA 525 HA ALA 525 8.618 6.836 -0.128
134 HB1 ALA 525 1HB ALA 525 6.985 7.820 -1.315
135 HB2 ALA 525 2HB ALA 525 6.003 8.145 0.113
136 HB3 ALA 525 3HB ALA 525 5.980 6.545 -0.626
137 H ALA 526 H ALA 526 7.959 6.758 3.034
138 HA ALA 526 HA ALA 526 8.104 9.591 3.492
139 HB1 ALA 526 1HB ALA 526 7.925 8.936 5.915
140 HB2 ALA 526 2HB ALA 526 7.723 7.276 5.358
141 HB3 ALA 526 3HB ALA 526 6.545 8.507 4.905
142 H ILE 527 H ILE 527 10.308 7.640 2.533
143 HA ILE 527 HA ILE 527 12.390 8.705 4.309
144 HB ILE 527 HB ILE 527 13.300 6.268 3.130
145 HG12 ILE 527 2HG1 ILE 527 11.713 4.760 4.453
146 HG13 ILE 527 1HG1 ILE 527 10.614 6.123 4.499
147 HG21 ILE 527 1HG2 ILE 527 12.945 7.429 5.835
148 HG22 ILE 527 2HG2 ILE 527 14.397 6.815 5.044
149 HG23 ILE 527 3HG2 ILE 527 13.216 5.690 5.717
150 HD11 ILE 527 3HD1 ILE 527 10.714 4.196 2.566
151 HD12 ILE 527 1HD1 ILE 527 11.599 5.530 1.830
152 HD13 ILE 527 2HD1 ILE 527 9.952 5.777 2.409
153 H GLY 528 H GLY 528 11.690 7.355 1.083
154 HA2 GLY 528 2HA GLY 528 12.613 9.242 -0.545
155 HA3 GLY 528 1HA GLY 528 14.125 8.567 0.032
156 H LEU 529 H LEU 529 12.558 5.889 0.137
157 HA LEU 529 HA LEU 529 12.165 4.091 -1.195
158 HB2 LEU 529 2HB LEU 529 11.395 6.292 -2.806
159 HB3 LEU 529 1HB LEU 529 12.302 5.192 -3.825
160 HG LEU 529 HG LEU 529 9.699 4.748 -2.425
161 HD11 LEU 529 1HD1 LEU 529 10.767 4.725 -5.181
162 HD12 LEU 529 2HD1 LEU 529 9.206 5.273 -4.572
163 HD13 LEU 529 3HD1 LEU 529 9.507 3.550 -4.802
164 HD21 LEU 529 3HD2 LEU 529 10.734 2.836 -1.660
165 HD22 LEU 529 1HD2 LEU 529 11.773 2.708 -3.078
166 HD23 LEU 529 2HD2 LEU 529 10.060 2.300 -3.202
167 H ALA 530 H ALA 530 14.425 6.285 -2.749
168 HA ALA 530 HA ALA 530 15.990 4.125 -3.768
169 HB1 ALA 530 1HB ALA 530 15.841 6.128 -5.075
170 HB2 ALA 530 2HB ALA 530 17.515 5.888 -4.577
171 HB3 ALA 530 3HB ALA 530 16.513 7.086 -3.756
172 H TRP 531 H TRP 531 15.847 3.798 -1.082
173 HA TRP 531 HA TRP 531 18.577 4.407 -0.164
174 HB2 TRP 531 2HB TRP 531 17.568 4.125 2.174
175 HB3 TRP 531 1HB TRP 531 17.107 5.581 1.296
176 HD1 TRP 531 HD TRP 531 14.720 5.259 -0.139
177 HE1 TRP 531 1HE TRP 531 12.542 4.229 0.694
178 HE3 TRP 531 3HE TRP 531 16.567 2.588 3.794
179 HZ2 TRP 531 2HZ TRP 531 11.684 2.509 2.788
180 HZ3 TRP 531 3HZ TRP 531 15.003 1.282 5.174
181 HH2 TRP 531 HH TRP 531 12.611 1.246 4.681
182 H ILE 532 H ILE 532 16.243 2.065 -0.960
183 HA ILE 532 HA ILE 532 17.804 -0.077 0.317
184 HB ILE 532 HB ILE 532 15.760 -1.463 -0.060
185 HG12 ILE 532 2HG1 ILE 532 14.951 0.871 -1.507
186 HG13 ILE 532 1HG1 ILE 532 14.148 -0.683 -1.387
187 HG21 ILE 532 1HG2 ILE 532 14.471 -0.417 1.810
188 HG22 ILE 532 2HG2 ILE 532 15.570 0.958 1.709
189 HG23 ILE 532 3HG2 ILE 532 16.193 -0.638 2.128
190 HD11 ILE 532 3HD1 ILE 532 13.744 1.748 0.315
191 HD12 ILE 532 1HD1 ILE 532 13.133 0.157 0.769
192 HD13 ILE 532 2HD1 ILE 532 12.578 0.924 -0.718
193 HA PRO 533 HA PRO 533 19.009 -1.658 -3.619
194 HB2 PRO 533 2HB PRO 533 18.671 -4.351 -3.333
195 HB3 PRO 533 1HB PRO 533 20.005 -3.453 -2.602
196 HG2 PRO 533 2HG PRO 533 17.433 -4.363 -1.372
197 HG3 PRO 533 1HG PRO 533 19.074 -4.409 -0.700
198 HD2 PRO 533 2HD PRO 533 17.296 -2.511 -0.000
199 HD3 PRO 533 1HD PRO 533 19.034 -2.173 -0.117
200 H TYR 534 H TYR 534 16.036 -3.246 -2.441
201 HA TYR 534 HA TYR 534 14.645 -2.553 -4.863
202 HB2 TYR 534 2HB TYR 534 14.102 -4.996 -5.370
203 HB3 TYR 534 1HB TYR 534 15.709 -4.425 -5.807
204 HD1 TYR 534 1HD TYR 534 13.807 -6.412 -3.338
205 HD2 TYR 534 2HD TYR 534 17.656 -5.372 -4.821
206 HE1 TYR 534 1HE TYR 534 14.801 -8.233 -2.018
207 HE2 TYR 534 2HE TYR 534 18.661 -7.192 -3.508
208 HH TYR 534 HH TYR 534 17.301 -9.661 -2.442
209 H PHE 535 H PHE 535 14.507 -2.947 -1.644
210 HA PHE 535 HA PHE 535 12.124 -4.403 -1.240
211 HB2 PHE 535 2HB PHE 535 12.981 -2.154 0.558
212 HB3 PHE 535 1HB PHE 535 12.201 -3.670 0.984
213 HD1 PHE 535 1HD PHE 535 14.127 -5.390 -0.748
214 HD2 PHE 535 2HD PHE 535 14.726 -2.352 2.171
215 HE1 PHE 535 1HE PHE 535 16.324 -6.354 -0.199
216 HE2 PHE 535 2HE PHE 535 16.923 -3.307 2.723
217 HZ PHE 535 HZ PHE 535 17.725 -5.310 1.538
218 H GLY 536 H GLY 536 12.739 -1.141 -2.233
219 HA2 GLY 536 2HA GLY 536 9.880 -0.493 -1.939
220 HA3 GLY 536 1HA GLY 536 11.172 0.689 -2.052
221 HA PRO 537 HA PRO 537 10.939 1.148 -6.429
222 HB2 PRO 537 2HB PRO 537 13.443 -0.400 -6.871
223 HB3 PRO 537 1HB PRO 537 13.012 1.224 -7.419
224 HG2 PRO 537 2HG PRO 537 14.722 0.863 -5.404
225 HG3 PRO 537 1HG PRO 537 13.554 2.198 -5.386
226 HD2 PRO 537 2HD PRO 537 13.526 -0.374 -3.876
227 HD3 PRO 537 1HD PRO 537 12.961 1.235 -3.383
228 H ALA 538 H ALA 538 12.055 -2.081 -5.495
229 HA ALA 538 HA ALA 538 10.659 -3.268 -7.774
230 HB1 ALA 538 1HB ALA 538 11.985 -5.115 -7.529
231 HB2 ALA 538 2HB ALA 538 12.130 -4.917 -5.782
232 HB3 ALA 538 3HB ALA 538 13.052 -3.877 -6.868
233 H ALA 539 H ALA 539 9.913 -2.411 -4.657
234 HA ALA 539 HA ALA 539 8.594 -4.568 -3.537
235 HB1 ALA 539 1HB ALA 539 8.946 -1.942 -2.879
236 HB2 ALA 539 2HB ALA 539 7.958 -3.091 -1.980
237 HB3 ALA 539 3HB ALA 539 7.207 -2.021 -3.164
238 H GLU 540 H GLU 540 7.036 -1.958 -5.399
239 HA GLU 540 HA GLU 540 5.298 -1.947 -6.849
240 HB2 GLU 540 2HB GLU 540 5.446 -4.949 -6.712
241 HB3 GLU 540 1HB GLU 540 4.573 -4.010 -7.911
242 HG2 GLU 540 2HG GLU 540 6.787 -3.001 -8.557
243 HG3 GLU 540 1HG GLU 540 7.542 -4.221 -7.533
244 H GLY 541 H GLY 541 4.735 -4.666 -4.597
245 HA2 GLY 541 2HA GLY 541 2.000 -3.649 -4.207
246 HA3 GLY 541 1HA GLY 541 2.537 -5.281 -3.851
247 H ILE 542 H ILE 542 4.523 -2.646 -2.854
248 HA ILE 542 HA ILE 542 3.393 -2.663 -0.160
249 HB ILE 542 HB ILE 542 6.340 -2.876 -0.288
250 HG12 ILE 542 2HG1 ILE 542 6.088 -5.422 -0.178
251 HG13 ILE 542 1HG1 ILE 542 4.486 -5.176 -0.870
252 HG21 ILE 542 1HG2 ILE 542 4.834 -4.519 1.598
253 HG22 ILE 542 2HG2 ILE 542 4.470 -2.796 1.702
254 HG23 ILE 542 3HG2 ILE 542 6.132 -3.360 1.885
255 HD11 ILE 542 3HD1 ILE 542 5.527 -5.367 -2.833
256 HD12 ILE 542 1HD1 ILE 542 7.115 -5.060 -2.129
257 HD13 ILE 542 2HD1 ILE 542 6.058 -3.707 -2.548
258 H TYR 543 H TYR 543 4.721 -0.959 -2.722
259 HA TYR 543 HA TYR 543 5.354 1.292 -1.000
260 HB2 TYR 543 2HB TYR 543 7.305 1.627 -2.077
261 HB3 TYR 543 1HB TYR 543 7.155 -0.073 -2.464
262 HD1 TYR 543 1HD TYR 543 5.861 -0.608 -4.669
263 HD2 TYR 543 2HD TYR 543 7.674 3.139 -3.790
264 HE1 TYR 543 1HE TYR 543 5.931 -0.078 -7.073
265 HE2 TYR 543 2HE TYR 543 7.753 3.680 -6.181
266 HH TYR 543 HH TYR 543 6.087 1.811 -8.543
267 H ILE 544 H ILE 544 4.028 0.184 -4.050
268 HA ILE 544 HA ILE 544 2.857 1.229 -5.721
269 HB ILE 544 HB ILE 544 1.285 2.291 -3.385
270 HG12 ILE 544 2HG1 ILE 544 0.021 0.085 -3.659
271 HG13 ILE 544 1HG1 ILE 544 1.439 -0.488 -4.531
272 HG21 ILE 544 1HG2 ILE 544 0.604 1.578 -6.223
273 HG22 ILE 544 2HG2 ILE 544 0.440 3.139 -5.420
274 HG23 ILE 544 3HG2 ILE 544 -0.620 1.802 -4.972
275 HD11 ILE 544 3HD1 ILE 544 2.213 0.709 -2.040
276 HD12 ILE 544 1HD1 ILE 544 2.491 -0.926 -2.635
277 HD13 ILE 544 2HD1 ILE 544 0.999 -0.541 -1.780
278 H GLU 545 H GLU 545 2.504 3.645 -3.174
279 HA GLU 545 HA GLU 545 2.875 5.879 -3.101
280 HB2 GLU 545 2HB GLU 545 4.770 5.396 -5.399
281 HB3 GLU 545 1HB GLU 545 4.750 6.794 -4.327
282 HG2 GLU 545 2HG GLU 545 5.088 5.069 -2.447
283 HG3 GLU 545 1HG GLU 545 5.586 3.986 -3.745
284 H GLY 546 H GLY 546 0.913 6.628 -3.650
285 HA2 GLY 546 2HA GLY 546 0.342 8.372 -5.511
286 HA3 GLY 546 1HA GLY 546 0.240 6.913 -6.484
287 H LEU 547 H LEU 547 -0.757 5.784 -3.634
288 HA LEU 547 HA LEU 547 -3.539 6.695 -4.014
289 HB2 LEU 547 2HB LEU 547 -4.377 4.536 -3.938
290 HB3 LEU 547 1HB LEU 547 -2.949 4.389 -4.942
291 HG LEU 547 HG LEU 547 -3.033 3.681 -2.011
292 HD11 LEU 547 1HD1 LEU 547 -4.495 2.219 -3.321
293 HD12 LEU 547 2HD1 LEU 547 -3.072 1.362 -2.726
294 HD13 LEU 547 3HD1 LEU 547 -3.155 1.867 -4.414
295 HD21 LEU 547 3HD2 LEU 547 -0.955 2.332 -3.073
296 HD22 LEU 547 1HD2 LEU 547 -0.814 3.921 -2.319
297 HD23 LEU 547 2HD2 LEU 547 -0.933 3.786 -4.073
298 H MET 548 H MET 548 -1.008 6.322 -1.848
299 HA MET 548 HA MET 548 -2.385 5.637 0.521
300 HB2 MET 548 2HB MET 548 0.025 7.420 0.569
301 HB3 MET 548 1HB MET 548 -0.430 6.143 1.684
302 HG2 MET 548 2HG MET 548 0.794 4.667 0.597
303 HG3 MET 548 1HG MET 548 0.014 5.052 -0.933
304 HE1 MET 548 3HE MET 548 1.236 8.493 -0.755
305 HE2 MET 548 1HE MET 548 0.450 7.456 -1.947
306 HE3 MET 548 2HE MET 548 2.090 8.037 -2.229
307 H HIS 549 H HIS 549 -4.295 6.979 0.188
308 HA HIS 549 HA HIS 549 -3.917 9.624 1.408
309 HB2 HIS 549 2HB HIS 549 -6.060 9.277 -0.645
310 HB3 HIS 549 1HB HIS 549 -5.207 10.737 -0.157
311 HD1 HIS 549 1HD HIS 549 -5.606 9.044 -3.058
312 HD2 HIS 549 2HD HIS 549 -2.177 9.976 -0.908
313 HE1 HIS 549 1HE HIS 549 -3.725 8.937 -4.717
314 HE2 HIS 549 2HE HIS 549 -1.671 9.601 -3.418
315 H ASN 550 H ASN 550 -4.611 7.157 2.615
316 HA ASN 550 HA ASN 550 -6.048 6.389 4.208
317 HB2 ASN 550 2HB ASN 550 -7.741 8.836 3.657
318 HB3 ASN 550 1HB ASN 550 -7.784 7.815 5.090
319 HD21 ASN 550 1HD2 ASN 550 -7.499 9.935 6.132
320 HD22 ASN 550 2HD2 ASN 550 -5.891 10.520 6.364
321 H GLN 551 H GLN 551 -8.113 8.015 1.806
322 HA GLN 551 HA GLN 551 -9.999 7.307 0.744
323 HB2 GLN 551 2HB GLN 551 -8.980 4.750 -0.138
324 HB3 GLN 551 1HB GLN 551 -9.321 6.195 -1.063
325 HG2 GLN 551 2HG GLN 551 -7.090 5.924 -1.465
326 HG3 GLN 551 1HG GLN 551 -7.059 7.033 -0.097
327 HE21 GLN 551 1HE2 GLN 551 -7.644 3.533 -0.103
328 HE22 GLN 551 2HE2 GLN 551 -6.272 3.136 0.864
329 H ASP 552 H ASP 552 -8.967 4.043 1.514
330 HA ASP 552 HA ASP 552 -10.010 2.317 2.560
331 HB2 ASP 552 2HB ASP 552 -10.230 4.571 4.304
332 HB3 ASP 552 1HB ASP 552 -11.730 3.657 4.404
333 H GLY 553 H GLY 553 -11.387 4.006 0.376
334 HA2 GLY 553 2HA GLY 553 -14.114 2.959 0.811
335 HA3 GLY 553 1HA GLY 553 -13.753 4.391 -0.147
336 H LEU 554 H LEU 554 -11.440 3.291 -1.407
337 HA LEU 554 HA LEU 554 -12.722 1.853 -3.548
338 HB2 LEU 554 2HB LEU 554 -10.468 1.976 -4.588
339 HB3 LEU 554 1HB LEU 554 -11.120 3.537 -4.122
340 HG LEU 554 HG LEU 554 -9.574 2.543 -1.932
341 HD11 LEU 554 1HD1 LEU 554 -7.443 2.174 -2.850
342 HD12 LEU 554 2HD1 LEU 554 -7.947 2.697 -4.456
343 HD13 LEU 554 3HD1 LEU 554 -8.535 1.169 -3.802
344 HD21 LEU 554 3HD2 LEU 554 -10.037 4.891 -2.418
345 HD22 LEU 554 1HD2 LEU 554 -9.074 4.787 -3.892
346 HD23 LEU 554 2HD2 LEU 554 -8.302 4.593 -2.317
347 H ILE 555 H ILE 555 -11.435 0.922 -0.643
348 HA ILE 555 HA ILE 555 -11.051 -1.802 -1.578
349 HB ILE 555 HB ILE 555 -8.988 -2.064 -0.253
350 HG12 ILE 555 2HG1 ILE 555 -7.772 0.214 0.129
351 HG13 ILE 555 1HG1 ILE 555 -9.405 0.874 0.156
352 HG21 ILE 555 1HG2 ILE 555 -8.321 0.117 -2.126
353 HG22 ILE 555 2HG2 ILE 555 -9.230 -1.245 -2.782
354 HG23 ILE 555 3HG2 ILE 555 -7.669 -1.518 -2.010
355 HD11 ILE 555 3HD1 ILE 555 -9.775 -1.083 1.872
356 HD12 ILE 555 1HD1 ILE 555 -9.111 0.472 2.362
357 HD13 ILE 555 2HD1 ILE 555 -8.040 -0.899 2.089
358 H CYS 556 H CYS 556 -11.632 0.456 1.019
359 HA CYS 556 HA CYS 556 -12.575 -1.788 2.666
360 HB2 CYS 556 2HB CYS 556 -10.636 0.086 3.324
361 HB3 CYS 556 1HB CYS 556 -12.077 0.692 4.126
362 H GLY 557 H GLY 557 -14.346 -0.889 0.839
363 HA2 GLY 557 2HA GLY 557 -16.667 -0.412 2.080
364 HA3 GLY 557 1HA GLY 557 -15.981 1.203 2.035
365 H LEU 558 H LEU 558 -15.873 -1.373 -0.415
366 HA LEU 558 HA LEU 558 -17.384 0.416 -2.206
367 HB2 LEU 558 2HB LEU 558 -16.058 -0.327 -4.074
368 HB3 LEU 558 1HB LEU 558 -15.005 0.314 -2.830
369 HG LEU 558 HG LEU 558 -15.493 -2.640 -3.099
370 HD11 LEU 558 1HD1 LEU 558 -13.751 -2.886 -4.608
371 HD12 LEU 558 2HD1 LEU 558 -13.130 -1.261 -4.310
372 HD13 LEU 558 3HD1 LEU 558 -14.619 -1.482 -5.230
373 HD21 LEU 558 3HD2 LEU 558 -14.084 -2.798 -1.392
374 HD22 LEU 558 1HD2 LEU 558 -14.114 -1.042 -1.248
375 HD23 LEU 558 2HD2 LEU 558 -12.883 -1.824 -2.236
376 H ARG 559 H ARG 559 -16.577 -2.905 -1.363
377 HA ARG 559 HA ARG 559 -19.178 -3.875 -1.658
378 HB2 ARG 559 2HB ARG 559 -19.014 -5.201 -3.688
379 HB3 ARG 559 1HB ARG 559 -18.733 -3.508 -4.075
380 HG2 ARG 559 2HG ARG 559 -16.270 -4.875 -3.431
381 HG3 ARG 559 1HG ARG 559 -17.129 -5.661 -4.760
382 HD2 ARG 559 2HD ARG 559 -16.797 -2.692 -4.751
383 HD3 ARG 559 1HD ARG 559 -15.450 -3.719 -5.240
384 HE ARG 559 HE ARG 559 -17.811 -3.151 -6.742
385 HH11 ARG 559 1HH1 ARG 559 -15.362 -5.569 -6.165
386 HH12 ARG 559 2HH1 ARG 559 -15.539 -6.300 -7.725
387 HH21 ARG 559 1HH2 ARG 559 -18.044 -4.111 -8.794
388 HH22 ARG 559 2HH2 ARG 559 -17.060 -5.471 -9.219
389 H GLN 560 H GLN 560 -17.000 -4.003 0.100
390 HA GLN 560 HA GLN 560 -16.367 -6.869 0.098
391 HB2 GLN 560 2HB GLN 560 -14.438 -6.104 1.607
392 HB3 GLN 560 1HB GLN 560 -14.327 -5.752 -0.110
393 HG2 GLN 560 2HG GLN 560 -13.608 -3.880 1.330
394 HG3 GLN 560 1HG GLN 560 -14.931 -3.470 0.242
395 HE21 GLN 560 1HE2 GLN 560 -16.582 -2.441 1.092
396 HE22 GLN 560 2HE2 GLN 560 -17.002 -2.397 2.767
Start of MODEL 17
1 H1 ALA 507 1HT ALA 507 -11.470 -11.774 -4.236
2 H2 ALA 507 2HT ALA 507 -11.344 -10.308 -5.119
3 H3 ALA 507 3HT ALA 507 -11.150 -11.813 -5.919
4 HA ALA 507 HA ALA 507 -13.262 -10.946 -6.416
5 HB1 ALA 507 1HB ALA 507 -13.267 -13.269 -4.501
6 HB2 ALA 507 2HB ALA 507 -13.192 -13.316 -6.262
7 HB3 ALA 507 3HB ALA 507 -14.671 -12.792 -5.456
8 H GLN 508 H GLN 508 -12.953 -11.442 -2.900
9 HA GLN 508 HA GLN 508 -14.575 -9.058 -2.458
10 HB2 GLN 508 2HB GLN 508 -15.250 -11.805 -1.406
11 HB3 GLN 508 1HB GLN 508 -15.870 -10.333 -0.674
12 HG2 GLN 508 2HG GLN 508 -16.272 -10.511 -3.568
13 HG3 GLN 508 1HG GLN 508 -17.108 -11.746 -2.629
14 HE21 GLN 508 1HE2 GLN 508 -16.364 -8.354 -1.938
15 HE22 GLN 508 2HE2 GLN 508 -18.002 -7.865 -1.680
16 HA PRO 509 HA PRO 509 -11.071 -9.841 0.594
17 HB2 PRO 509 2HB PRO 509 -9.109 -8.337 -0.404
18 HB3 PRO 509 1HB PRO 509 -9.410 -9.964 -1.022
19 HG2 PRO 509 2HG PRO 509 -10.211 -7.321 -2.178
20 HG3 PRO 509 1HG PRO 509 -9.543 -8.744 -2.998
21 HD2 PRO 509 2HD PRO 509 -12.220 -8.119 -2.927
22 HD3 PRO 509 1HD PRO 509 -11.583 -9.759 -3.152
23 H LYS 510 H LYS 510 -12.066 -8.695 2.210
24 HA LYS 510 HA LYS 510 -12.774 -5.970 2.086
25 HB2 LYS 510 2HB LYS 510 -12.909 -6.148 4.586
26 HB3 LYS 510 1HB LYS 510 -13.833 -7.365 3.715
27 HG2 LYS 510 2HG LYS 510 -11.370 -8.559 4.087
28 HG3 LYS 510 1HG LYS 510 -11.648 -7.680 5.591
29 HD2 LYS 510 2HD LYS 510 -12.703 -9.652 6.082
30 HD3 LYS 510 1HD LYS 510 -14.048 -8.754 5.375
31 HE2 LYS 510 2HE LYS 510 -14.165 -10.100 3.578
32 HE3 LYS 510 1HE LYS 510 -12.411 -10.227 3.437
33 HZ1 LYS 510 3HZ LYS 510 -13.974 -12.237 4.196
34 HZ2 LYS 510 1HZ LYS 510 -13.600 -11.585 5.712
35 HZ3 LYS 510 2HZ LYS 510 -12.360 -12.087 4.679
36 H CYS 511 H CYS 511 -11.398 -4.341 1.837
37 HA CYS 511 HA CYS 511 -9.618 -2.953 2.115
38 HB2 CYS 511 2HB CYS 511 -8.698 -4.416 4.554
39 HB3 CYS 511 1HB CYS 511 -8.757 -2.684 4.244
40 H ASN 512 H ASN 512 -8.144 -3.260 0.589
41 HA ASN 512 HA ASN 512 -6.528 -5.678 0.604
42 HB2 ASN 512 2HB ASN 512 -6.661 -3.583 -1.558
43 HB3 ASN 512 1HB ASN 512 -5.948 -5.186 -1.675
44 HD21 ASN 512 1HD2 ASN 512 -9.019 -3.545 -1.024
45 HD22 ASN 512 2HD2 ASN 512 -10.013 -4.753 -1.750
46 HA PRO 513 HA PRO 513 -3.135 -2.430 0.905
47 HB2 PRO 513 2HB PRO 513 -3.799 0.191 0.430
48 HB3 PRO 513 1HB PRO 513 -3.389 -0.979 -0.827
49 HG2 PRO 513 2HG PRO 513 -5.924 0.272 -0.373
50 HG3 PRO 513 1HG PRO 513 -5.515 -0.942 -1.595
51 HD2 PRO 513 2HD PRO 513 -6.782 -1.296 1.068
52 HD3 PRO 513 1HD PRO 513 -6.972 -2.247 -0.419
53 H ASN 514 H ASN 514 -5.935 -2.018 2.720
54 HA ASN 514 HA ASN 514 -4.595 -0.239 4.637
55 HB2 ASN 514 2HB ASN 514 -7.458 -0.762 3.962
56 HB3 ASN 514 1HB ASN 514 -7.070 -0.355 5.631
57 HD21 ASN 514 1HD2 ASN 514 -7.430 0.807 2.425
58 HD22 ASN 514 2HD2 ASN 514 -7.089 2.467 2.751
59 H LEU 515 H LEU 515 -3.322 -2.318 4.943
60 HA LEU 515 HA LEU 515 -4.615 -3.851 7.077
61 HB2 LEU 515 2HB LEU 515 -2.780 -5.589 5.823
62 HB3 LEU 515 1HB LEU 515 -4.517 -5.742 5.957
63 HG LEU 515 HG LEU 515 -3.749 -6.027 3.670
64 HD11 LEU 515 1HD1 LEU 515 -5.092 -3.596 3.115
65 HD12 LEU 515 2HD1 LEU 515 -5.800 -4.314 4.556
66 HD13 LEU 515 3HD1 LEU 515 -5.709 -5.240 3.060
67 HD21 LEU 515 3HD2 LEU 515 -3.149 -3.472 2.782
68 HD22 LEU 515 1HD2 LEU 515 -2.030 -4.821 2.959
69 HD23 LEU 515 2HD2 LEU 515 -2.214 -3.655 4.264
70 H HIS 516 H HIS 516 -1.578 -2.545 5.798
71 HA HIS 516 HA HIS 516 -0.472 -2.449 8.419
72 HB2 HIS 516 2HB HIS 516 1.476 -4.101 7.590
73 HB3 HIS 516 1HB HIS 516 0.065 -4.661 8.485
74 HD1 HIS 516 1HD HIS 516 0.214 -7.012 7.341
75 HD2 HIS 516 2HD HIS 516 -0.363 -3.849 4.715
76 HE1 HIS 516 1HE HIS 516 -0.452 -8.054 5.146
77 HE2 HIS 516 2HE HIS 516 -0.684 -6.132 3.556
78 H TYR 517 H TYR 517 1.297 -3.240 5.456
79 HA TYR 517 HA TYR 517 3.161 -1.181 5.796
80 HB2 TYR 517 2HB TYR 517 2.768 -2.361 3.107
81 HB3 TYR 517 1HB TYR 517 4.258 -1.988 3.961
82 HD1 TYR 517 2HD TYR 517 1.497 -4.401 3.666
83 HD2 TYR 517 1HD TYR 517 5.334 -3.624 5.323
84 HE1 TYR 517 2HE TYR 517 1.726 -6.784 4.242
85 HE2 TYR 517 1HE TYR 517 5.572 -6.001 5.914
86 HH TYR 517 HH TYR 517 4.571 -8.229 5.015
87 H TRP 518 H TRP 518 0.150 -0.513 5.162
88 HA TRP 518 HA TRP 518 0.850 1.755 3.466
89 HB2 TRP 518 2HB TRP 518 -1.835 0.707 2.933
90 HB3 TRP 518 1HB TRP 518 -0.633 1.301 1.820
91 HD1 TRP 518 HD TRP 518 -0.014 -1.830 3.963
92 HE1 TRP 518 1HE TRP 518 0.209 -3.806 2.392
93 HE3 TRP 518 3HE TRP 518 -1.302 0.452 -0.424
94 HZ2 TRP 518 2HZ TRP 518 -0.148 -4.393 -0.348
95 HZ3 TRP 518 3HZ TRP 518 -1.351 -0.902 -2.478
96 HH2 TRP 518 HH TRP 518 -0.784 -3.274 -2.440
97 H THR 519 H THR 519 -1.405 0.192 5.628
98 HA THR 519 HA THR 519 -2.859 2.625 6.177
99 HB THR 519 HB THR 519 -4.180 0.709 6.406
100 HG1 THR 519 1HG THR 519 -4.528 2.068 8.160
101 HG21 THR 519 3HG2 THR 519 -1.927 -0.480 7.982
102 HG22 THR 519 1HG2 THR 519 -2.681 -1.076 6.505
103 HG23 THR 519 2HG2 THR 519 -3.568 -1.129 8.027
104 H THR 520 H THR 520 0.086 1.342 7.264
105 HA THR 520 HA THR 520 -0.082 2.734 9.826
106 HB THR 520 HB THR 520 1.064 0.337 9.176
107 HG1 THR 520 1HG THR 520 1.885 0.435 11.255
108 HG21 THR 520 3HG2 THR 520 3.502 0.635 9.664
109 HG22 THR 520 1HG2 THR 520 3.304 2.346 9.282
110 HG23 THR 520 2HG2 THR 520 2.996 1.123 8.048
111 H GLN 521 H GLN 521 2.254 2.561 7.121
112 HA GLN 521 HA GLN 521 3.110 5.268 7.823
113 HB2 GLN 521 2HB GLN 521 5.147 4.843 6.701
114 HB3 GLN 521 1HB GLN 521 4.796 3.401 7.640
115 HG2 GLN 521 2HG GLN 521 4.265 2.152 5.749
116 HG3 GLN 521 1HG GLN 521 4.035 3.585 4.755
117 HE21 GLN 521 1HE2 GLN 521 6.000 4.923 4.373
118 HE22 GLN 521 2HE2 GLN 521 7.500 4.092 4.161
119 H ASP 522 H ASP 522 4.261 5.825 5.265
120 HA ASP 522 HA ASP 522 1.820 6.568 3.828
121 HB2 ASP 522 2HB ASP 522 4.499 7.784 4.154
122 HB3 ASP 522 1HB ASP 522 3.636 8.092 2.653
123 H GLU 523 H GLU 523 2.942 3.956 3.539
124 HA GLU 523 HA GLU 523 3.657 2.440 1.971
125 HB2 GLU 523 2HB GLU 523 1.938 4.387 0.523
126 HB3 GLU 523 1HB GLU 523 2.815 3.195 -0.425
127 HG2 GLU 523 2HG GLU 523 1.815 1.414 0.898
128 HG3 GLU 523 1HG GLU 523 0.925 2.616 1.825
129 H GLY 524 H GLY 524 5.840 3.242 2.492
130 HA2 GLY 524 2HA GLY 524 7.949 3.386 1.447
131 HA3 GLY 524 1HA GLY 524 7.166 4.067 0.027
132 H ALA 525 H ALA 525 5.607 5.837 1.983
133 HA ALA 525 HA ALA 525 5.751 7.991 2.645
134 HB1 ALA 525 1HB ALA 525 7.012 8.265 4.476
135 HB2 ALA 525 2HB ALA 525 8.493 7.813 3.630
136 HB3 ALA 525 3HB ALA 525 7.404 6.562 4.231
137 H ALA 526 H ALA 526 7.252 7.086 0.024
138 HA ALA 526 HA ALA 526 8.547 8.049 -1.575
139 HB1 ALA 526 1HB ALA 526 6.431 9.610 -1.144
140 HB2 ALA 526 2HB ALA 526 7.672 10.004 -2.334
141 HB3 ALA 526 3HB ALA 526 7.705 10.761 -0.741
142 H ILE 527 H ILE 527 9.520 7.962 1.343
143 HA ILE 527 HA ILE 527 11.177 10.096 1.916
144 HB ILE 527 HB ILE 527 12.662 8.142 2.942
145 HG12 ILE 527 2HG1 ILE 527 11.421 6.177 3.505
146 HG13 ILE 527 1HG1 ILE 527 9.948 6.834 2.807
147 HG21 ILE 527 1HG2 ILE 527 11.200 8.240 4.943
148 HG22 ILE 527 2HG2 ILE 527 10.001 9.085 3.965
149 HG23 ILE 527 3HG2 ILE 527 11.580 9.817 4.252
150 HD11 ILE 527 3HD1 ILE 527 10.644 6.430 0.645
151 HD12 ILE 527 1HD1 ILE 527 11.295 5.046 1.521
152 HD13 ILE 527 2HD1 ILE 527 12.350 6.393 1.092
153 H GLY 528 H GLY 528 11.538 7.680 -0.526
154 HA2 GLY 528 2HA GLY 528 13.433 8.940 -2.015
155 HA3 GLY 528 1HA GLY 528 14.382 8.044 -0.841
156 H LEU 529 H LEU 529 13.195 5.674 -0.619
157 HA LEU 529 HA LEU 529 12.785 3.649 -1.579
158 HB2 LEU 529 2HB LEU 529 12.313 5.307 -4.038
159 HB3 LEU 529 1HB LEU 529 12.175 3.565 -4.023
160 HG LEU 529 HG LEU 529 10.292 3.626 -2.577
161 HD11 LEU 529 1HD1 LEU 529 9.419 5.763 -1.666
162 HD12 LEU 529 2HD1 LEU 529 10.887 6.560 -2.237
163 HD13 LEU 529 3HD1 LEU 529 10.988 5.302 -1.005
164 HD21 LEU 529 3HD2 LEU 529 8.954 5.589 -3.864
165 HD22 LEU 529 1HD2 LEU 529 9.285 4.000 -4.554
166 HD23 LEU 529 2HD2 LEU 529 10.328 5.367 -4.946
167 H ALA 530 H ALA 530 15.172 5.778 -2.754
168 HA ALA 530 HA ALA 530 16.549 3.792 -4.292
169 HB1 ALA 530 1HB ALA 530 16.831 6.033 -5.023
170 HB2 ALA 530 2HB ALA 530 18.385 5.520 -4.365
171 HB3 ALA 530 3HB ALA 530 17.328 6.564 -3.415
172 H TRP 531 H TRP 531 16.484 4.817 -1.037
173 HA TRP 531 HA TRP 531 19.014 3.998 -0.132
174 HB2 TRP 531 2HB TRP 531 17.933 3.993 2.108
175 HB3 TRP 531 1HB TRP 531 17.560 5.450 1.193
176 HD1 TRP 531 HD TRP 531 15.103 5.168 -0.258
177 HE1 TRP 531 1HE TRP 531 12.893 4.331 0.681
178 HE3 TRP 531 3HE TRP 531 16.861 2.667 3.837
179 HZ2 TRP 531 2HZ TRP 531 11.967 2.819 2.888
180 HZ3 TRP 531 3HZ TRP 531 15.241 1.556 5.319
181 HH2 TRP 531 HH TRP 531 12.844 1.632 4.853
182 H ILE 532 H ILE 532 16.346 2.215 -1.234
183 HA ILE 532 HA ILE 532 17.413 -0.234 -0.034
184 HB ILE 532 HB ILE 532 15.033 -1.076 -0.213
185 HG12 ILE 532 2HG1 ILE 532 14.633 1.847 -0.784
186 HG13 ILE 532 1HG1 ILE 532 13.909 0.462 -1.585
187 HG21 ILE 532 1HG2 ILE 532 14.408 0.009 1.932
188 HG22 ILE 532 2HG2 ILE 532 15.735 1.148 1.689
189 HG23 ILE 532 3HG2 ILE 532 16.075 -0.571 1.901
190 HD11 ILE 532 3HD1 ILE 532 13.075 0.467 1.135
191 HD12 ILE 532 1HD1 ILE 532 12.109 0.678 -0.325
192 HD13 ILE 532 2HD1 ILE 532 12.836 2.079 0.459
193 HA PRO 533 HA PRO 533 17.679 -1.504 -4.279
194 HB2 PRO 533 2HB PRO 533 18.642 -3.958 -3.921
195 HB3 PRO 533 1HB PRO 533 19.585 -2.535 -3.464
196 HG2 PRO 533 2HG PRO 533 18.012 -4.400 -1.741
197 HG3 PRO 533 1HG PRO 533 19.586 -3.648 -1.431
198 HD2 PRO 533 2HD PRO 533 17.145 -2.739 -0.452
199 HD3 PRO 533 1HD PRO 533 18.630 -1.776 -0.559
200 H TYR 534 H TYR 534 15.621 -3.206 -2.010
201 HA TYR 534 HA TYR 534 13.989 -4.091 -4.257
202 HB2 TYR 534 2HB TYR 534 13.838 -6.400 -3.410
203 HB3 TYR 534 1HB TYR 534 15.473 -5.974 -3.905
204 HD1 TYR 534 1HD TYR 534 13.311 -6.086 -0.867
205 HD2 TYR 534 2HD TYR 534 17.238 -6.421 -2.468
206 HE1 TYR 534 1HE TYR 534 14.147 -6.772 1.342
207 HE2 TYR 534 2HE TYR 534 18.085 -7.108 -0.264
208 HH TYR 534 HH TYR 534 17.495 -6.963 2.063
209 H PHE 535 H PHE 535 14.005 -2.518 -1.433
210 HA PHE 535 HA PHE 535 11.615 -3.693 -0.280
211 HB2 PHE 535 2HB PHE 535 13.207 -1.243 0.464
212 HB3 PHE 535 1HB PHE 535 11.803 -1.806 1.354
213 HD1 PHE 535 2HD PHE 535 15.111 -3.003 0.137
214 HD2 PHE 535 1HD PHE 535 12.130 -3.169 3.166
215 HE1 PHE 535 2HE PHE 535 16.580 -4.422 1.497
216 HE2 PHE 535 1HE PHE 535 13.596 -4.588 4.535
217 HZ PHE 535 HZ PHE 535 15.826 -5.222 3.702
218 H GLY 536 H GLY 536 12.555 -0.819 -2.076
219 HA2 GLY 536 2HA GLY 536 9.707 -0.069 -2.276
220 HA3 GLY 536 1HA GLY 536 11.037 1.074 -2.372
221 HA PRO 537 HA PRO 537 11.545 0.788 -6.743
222 HB2 PRO 537 2HB PRO 537 13.954 -0.951 -6.522
223 HB3 PRO 537 1HB PRO 537 13.745 0.575 -7.385
224 HG2 PRO 537 2HG PRO 537 15.096 0.481 -5.090
225 HG3 PRO 537 1HG PRO 537 14.037 1.852 -5.471
226 HD2 PRO 537 2HD PRO 537 13.591 -0.434 -3.610
227 HD3 PRO 537 1HD PRO 537 13.086 1.260 -3.457
228 H ALA 538 H ALA 538 12.264 -2.293 -5.152
229 HA ALA 538 HA ALA 538 11.265 -3.832 -7.395
230 HB1 ALA 538 1HB ALA 538 12.148 -4.753 -4.660
231 HB2 ALA 538 2HB ALA 538 13.183 -4.636 -6.085
232 HB3 ALA 538 3HB ALA 538 11.842 -5.782 -6.062
233 H ALA 539 H ALA 539 10.147 -2.639 -4.333
234 HA ALA 539 HA ALA 539 8.011 -4.355 -3.825
235 HB1 ALA 539 1HB ALA 539 8.830 -1.678 -2.976
236 HB2 ALA 539 2HB ALA 539 8.197 -3.027 -2.034
237 HB3 ALA 539 3HB ALA 539 7.091 -1.963 -2.903
238 H GLU 540 H GLU 540 5.735 -3.968 -4.068
239 HA GLU 540 HA GLU 540 4.851 -2.196 -6.184
240 HB2 GLU 540 2HB GLU 540 4.361 -5.171 -6.410
241 HB3 GLU 540 1HB GLU 540 3.850 -3.928 -7.543
242 HG2 GLU 540 2HG GLU 540 6.346 -3.424 -7.815
243 HG3 GLU 540 1HG GLU 540 6.603 -4.982 -7.032
244 H GLY 541 H GLY 541 4.169 -4.580 -3.721
245 HA2 GLY 541 2HA GLY 541 1.455 -3.455 -3.414
246 HA3 GLY 541 1HA GLY 541 1.880 -5.114 -3.007
247 H ILE 542 H ILE 542 3.852 -2.307 -2.323
248 HA ILE 542 HA ILE 542 3.078 -2.281 0.482
249 HB ILE 542 HB ILE 542 6.005 -2.501 -0.094
250 HG12 ILE 542 2HG1 ILE 542 5.718 -4.989 0.531
251 HG13 ILE 542 1HG1 ILE 542 4.044 -4.777 0.022
252 HG21 ILE 542 1HG2 ILE 542 4.871 -1.840 2.134
253 HG22 ILE 542 2HG2 ILE 542 6.213 -2.984 2.155
254 HG23 ILE 542 3HG2 ILE 542 4.555 -3.568 2.288
255 HD11 ILE 542 3HD1 ILE 542 6.448 -5.079 -1.564
256 HD12 ILE 542 1HD1 ILE 542 5.500 -3.669 -2.042
257 HD13 ILE 542 2HD1 ILE 542 4.757 -5.272 -2.022
258 H TYR 543 H TYR 543 4.963 -1.015 -2.190
259 HA TYR 543 HA TYR 543 5.305 1.495 -0.786
260 HB2 TYR 543 2HB TYR 543 7.258 1.691 -1.885
261 HB3 TYR 543 1HB TYR 543 7.087 -0.034 -2.098
262 HD1 TYR 543 1HD TYR 543 5.835 -0.775 -4.268
263 HD2 TYR 543 2HD TYR 543 7.668 3.021 -3.732
264 HE1 TYR 543 1HE TYR 543 5.972 -0.509 -6.700
265 HE2 TYR 543 2HE TYR 543 7.811 3.305 -6.165
266 HH TYR 543 HH TYR 543 7.812 1.993 -8.180
267 H ILE 544 H ILE 544 4.129 0.159 -3.837
268 HA ILE 544 HA ILE 544 2.907 1.014 -5.556
269 HB ILE 544 HB ILE 544 1.285 2.241 -3.345
270 HG12 ILE 544 2HG1 ILE 544 0.084 0.053 -3.285
271 HG13 ILE 544 1HG1 ILE 544 1.360 -0.629 -4.286
272 HG21 ILE 544 1HG2 ILE 544 0.700 1.287 -6.128
273 HG22 ILE 544 2HG2 ILE 544 0.406 2.875 -5.425
274 HG23 ILE 544 3HG2 ILE 544 -0.575 1.497 -4.929
275 HD11 ILE 544 3HD1 ILE 544 2.822 -0.732 -2.573
276 HD12 ILE 544 1HD1 ILE 544 1.333 -0.820 -1.636
277 HD13 ILE 544 2HD1 ILE 544 2.191 0.712 -1.789
278 H GLU 545 H GLU 545 2.518 3.640 -3.220
279 HA GLU 545 HA GLU 545 2.916 5.873 -3.318
280 HB2 GLU 545 2HB GLU 545 4.518 5.615 -5.817
281 HB3 GLU 545 1HB GLU 545 4.780 6.653 -4.423
282 HG2 GLU 545 2HG GLU 545 4.996 3.916 -3.636
283 HG3 GLU 545 1HG GLU 545 6.021 4.221 -5.032
284 H GLY 546 H GLY 546 0.724 4.585 -4.739
285 HA2 GLY 546 2HA GLY 546 0.103 6.810 -6.555
286 HA3 GLY 546 1HA GLY 546 -0.130 5.161 -7.113
287 H LEU 547 H LEU 547 -0.850 4.914 -3.958
288 HA LEU 547 HA LEU 547 -3.603 5.916 -4.231
289 HB2 LEU 547 2HB LEU 547 -4.625 3.897 -3.852
290 HB3 LEU 547 1HB LEU 547 -3.276 3.432 -4.869
291 HG LEU 547 HG LEU 547 -3.388 3.149 -1.865
292 HD11 LEU 547 1HD1 LEU 547 -3.437 1.014 -3.991
293 HD12 LEU 547 2HD1 LEU 547 -4.863 1.604 -3.141
294 HD13 LEU 547 3HD1 LEU 547 -3.578 0.791 -2.248
295 HD21 LEU 547 3HD2 LEU 547 -1.160 3.193 -2.061
296 HD22 LEU 547 1HD2 LEU 547 -1.211 2.992 -3.811
297 HD23 LEU 547 2HD2 LEU 547 -1.342 1.584 -2.760
298 H MET 548 H MET 548 -0.890 5.640 -2.333
299 HA MET 548 HA MET 548 -2.090 5.381 0.224
300 HB2 MET 548 2HB MET 548 0.216 6.455 0.924
301 HB3 MET 548 1HB MET 548 0.109 4.792 0.373
302 HG2 MET 548 2HG MET 548 2.009 5.913 -0.618
303 HG3 MET 548 1HG MET 548 0.838 5.475 -1.856
304 HE1 MET 548 3HE MET 548 1.462 7.913 -3.889
305 HE2 MET 548 1HE MET 548 -0.235 8.262 -3.562
306 HE3 MET 548 2HE MET 548 0.353 6.601 -3.493
307 H HIS 549 H HIS 549 -3.773 7.068 -0.524
308 HA HIS 549 HA HIS 549 -2.889 9.711 0.435
309 HB2 HIS 549 2HB HIS 549 -5.365 9.615 -1.165
310 HB3 HIS 549 1HB HIS 549 -4.050 10.782 -1.193
311 HD1 HIS 549 1HD HIS 549 -5.599 8.957 -3.540
312 HD2 HIS 549 2HD HIS 549 -1.641 8.898 -2.282
313 HE1 HIS 549 1HE HIS 549 -4.302 7.986 -5.458
314 HE2 HIS 549 2HE HIS 549 -1.893 8.084 -4.724
315 H ASN 550 H ASN 550 -3.947 7.357 1.912
316 HA ASN 550 HA ASN 550 -5.381 6.907 3.618
317 HB2 ASN 550 2HB ASN 550 -5.728 9.908 3.524
318 HB3 ASN 550 1HB ASN 550 -6.379 8.879 4.796
319 HD21 ASN 550 1HD2 ASN 550 -4.457 11.035 4.996
320 HD22 ASN 550 2HD2 ASN 550 -3.026 10.351 5.680
321 H GLN 551 H GLN 551 -6.719 5.745 2.116
322 HA GLN 551 HA GLN 551 -9.204 7.134 1.404
323 HB2 GLN 551 2HB GLN 551 -8.995 4.529 0.188
324 HB3 GLN 551 1HB GLN 551 -9.183 6.098 -0.573
325 HG2 GLN 551 2HG GLN 551 -7.170 5.806 -1.442
326 HG3 GLN 551 1HG GLN 551 -6.509 6.026 0.175
327 HE21 GLN 551 1HE2 GLN 551 -6.584 3.964 1.533
328 HE22 GLN 551 2HE2 GLN 551 -6.090 2.513 0.742
329 H ASP 552 H ASP 552 -8.495 3.724 1.864
330 HA ASP 552 HA ASP 552 -9.449 2.103 3.140
331 HB2 ASP 552 2HB ASP 552 -8.746 3.739 4.967
332 HB3 ASP 552 1HB ASP 552 -10.420 4.287 4.984
333 H GLY 553 H GLY 553 -11.051 3.902 1.186
334 HA2 GLY 553 2HA GLY 553 -13.711 2.925 2.025
335 HA3 GLY 553 1HA GLY 553 -13.481 4.451 1.182
336 H LEU 554 H LEU 554 -11.447 3.425 -0.590
337 HA LEU 554 HA LEU 554 -13.181 2.179 -2.558
338 HB2 LEU 554 2HB LEU 554 -11.272 2.567 -4.081
339 HB3 LEU 554 1HB LEU 554 -11.839 4.026 -3.292
340 HG LEU 554 HG LEU 554 -9.836 3.182 -1.598
341 HD11 LEU 554 1HD1 LEU 554 -9.354 1.524 -3.557
342 HD12 LEU 554 2HD1 LEU 554 -8.031 2.356 -2.739
343 HD13 LEU 554 3HD1 LEU 554 -8.609 2.939 -4.300
344 HD21 LEU 554 3HD2 LEU 554 -9.764 5.116 -3.906
345 HD22 LEU 554 1HD2 LEU 554 -8.510 5.006 -2.670
346 HD23 LEU 554 2HD2 LEU 554 -10.153 5.463 -2.221
347 H ILE 555 H ILE 555 -11.501 0.967 -0.113
348 HA ILE 555 HA ILE 555 -10.984 -1.559 -1.468
349 HB ILE 555 HB ILE 555 -8.819 -1.796 -0.268
350 HG12 ILE 555 2HG1 ILE 555 -9.183 -0.077 1.460
351 HG13 ILE 555 1HG1 ILE 555 -7.688 0.186 0.587
352 HG21 ILE 555 1HG2 ILE 555 -9.310 -0.667 -2.678
353 HG22 ILE 555 2HG2 ILE 555 -7.708 -1.080 -2.067
354 HG23 ILE 555 3HG2 ILE 555 -8.315 0.571 -1.909
355 HD11 ILE 555 3HD1 ILE 555 -10.047 1.869 0.788
356 HD12 ILE 555 1HD1 ILE 555 -9.411 1.697 -0.846
357 HD13 ILE 555 2HD1 ILE 555 -8.370 2.288 0.445
358 H CYS 556 H CYS 556 -11.086 0.259 1.554
359 HA CYS 556 HA CYS 556 -11.832 -2.192 2.977
360 HB2 CYS 556 2HB CYS 556 -9.822 -0.736 3.685
361 HB3 CYS 556 1HB CYS 556 -11.026 0.405 4.269
362 H GLY 557 H GLY 557 -13.867 -1.210 1.484
363 HA2 GLY 557 2HA GLY 557 -16.070 -1.094 2.921
364 HA3 GLY 557 1HA GLY 557 -15.466 0.525 3.218
365 H LEU 558 H LEU 558 -15.342 -1.316 0.181
366 HA LEU 558 HA LEU 558 -16.991 0.808 -1.024
367 HB2 LEU 558 2HB LEU 558 -15.918 0.350 -3.134
368 HB3 LEU 558 1HB LEU 558 -14.700 0.664 -1.917
369 HG LEU 558 HG LEU 558 -15.447 -2.161 -2.574
370 HD11 LEU 558 1HD1 LEU 558 -14.097 -2.273 -4.434
371 HD12 LEU 558 2HD1 LEU 558 -13.234 -0.787 -4.030
372 HD13 LEU 558 3HD1 LEU 558 -14.882 -0.709 -4.653
373 HD21 LEU 558 3HD2 LEU 558 -13.329 -0.733 -1.132
374 HD22 LEU 558 1HD2 LEU 558 -12.768 -2.047 -2.166
375 HD23 LEU 558 2HD2 LEU 558 -13.959 -2.362 -0.906
376 H ARG 559 H ARG 559 -16.410 -2.661 -0.920
377 HA ARG 559 HA ARG 559 -19.067 -3.430 -1.025
378 HB2 ARG 559 2HB ARG 559 -19.320 -4.252 -3.318
379 HB3 ARG 559 1HB ARG 559 -19.060 -2.512 -3.317
380 HG2 ARG 559 2HG ARG 559 -16.592 -4.045 -3.498
381 HG3 ARG 559 1HG ARG 559 -17.700 -4.336 -4.842
382 HD2 ARG 559 2HD ARG 559 -16.836 -1.608 -3.896
383 HD3 ARG 559 1HD ARG 559 -16.088 -2.479 -5.234
384 HE ARG 559 HE ARG 559 -18.554 -1.039 -5.283
385 HH11 ARG 559 1HH1 ARG 559 -16.844 -3.735 -6.689
386 HH12 ARG 559 2HH1 ARG 559 -17.741 -3.693 -8.170
387 HH21 ARG 559 1HH2 ARG 559 -19.735 -0.981 -7.230
388 HH22 ARG 559 2HH2 ARG 559 -19.383 -2.129 -8.477
389 H GLN 560 H GLN 560 -16.636 -4.093 0.214
390 HA GLN 560 HA GLN 560 -16.229 -6.866 -0.651
391 HB2 GLN 560 2HB GLN 560 -14.070 -6.596 0.732
392 HB3 GLN 560 1HB GLN 560 -14.163 -5.825 -0.844
393 HG2 GLN 560 2HG GLN 560 -13.142 -4.406 0.904
394 HG3 GLN 560 1HG GLN 560 -14.556 -3.694 0.134
395 HE21 GLN 560 1HE2 GLN 560 -15.905 -2.747 1.447
396 HE22 GLN 560 2HE2 GLN 560 -16.161 -3.135 3.112
Start of MODEL 18
1 H1 ALA 507 1HT ALA 507 -12.343 -12.086 -4.865
2 H2 ALA 507 2HT ALA 507 -12.054 -10.663 -5.780
3 H3 ALA 507 3HT ALA 507 -12.161 -12.185 -6.566
4 HA ALA 507 HA ALA 507 -14.173 -11.307 -6.994
5 HB1 ALA 507 1HB ALA 507 -14.631 -12.685 -4.355
6 HB2 ALA 507 2HB ALA 507 -14.289 -13.527 -5.867
7 HB3 ALA 507 3HB ALA 507 -15.755 -12.558 -5.708
8 H GLN 508 H GLN 508 -13.623 -10.804 -3.506
9 HA GLN 508 HA GLN 508 -14.229 -8.036 -3.647
10 HB2 GLN 508 2HB GLN 508 -16.433 -9.894 -3.171
11 HB3 GLN 508 1HB GLN 508 -16.267 -8.699 -1.893
12 HG2 GLN 508 2HG GLN 508 -16.037 -7.155 -4.122
13 HG3 GLN 508 1HG GLN 508 -17.173 -8.394 -4.655
14 HE21 GLN 508 1HE2 GLN 508 -18.437 -8.889 -2.211
15 HE22 GLN 508 2HE2 GLN 508 -19.367 -7.497 -1.783
16 HA PRO 509 HA PRO 509 -11.973 -9.611 0.125
17 HB2 PRO 509 2HB PRO 509 -9.653 -8.141 -0.785
18 HB3 PRO 509 1HB PRO 509 -9.825 -9.877 -0.529
19 HG2 PRO 509 2HG PRO 509 -9.512 -8.733 -2.991
20 HG3 PRO 509 1HG PRO 509 -10.340 -10.277 -2.720
21 HD2 PRO 509 2HD PRO 509 -11.503 -7.551 -3.150
22 HD3 PRO 509 1HD PRO 509 -12.040 -9.119 -3.787
23 H LYS 510 H LYS 510 -12.441 -8.442 1.870
24 HA LYS 510 HA LYS 510 -12.829 -5.604 1.755
25 HB2 LYS 510 2HB LYS 510 -12.624 -7.192 4.301
26 HB3 LYS 510 1HB LYS 510 -13.588 -5.761 3.974
27 HG2 LYS 510 2HG LYS 510 -15.309 -7.134 3.695
28 HG3 LYS 510 1HG LYS 510 -14.555 -7.618 2.174
29 HD2 LYS 510 2HD LYS 510 -13.351 -9.406 3.362
30 HD3 LYS 510 1HD LYS 510 -14.152 -8.932 4.861
31 HE2 LYS 510 2HE LYS 510 -16.232 -9.668 4.128
32 HE3 LYS 510 1HE LYS 510 -15.755 -9.629 2.431
33 HZ1 LYS 510 3HZ LYS 510 -14.054 -11.437 3.384
34 HZ2 LYS 510 1HZ LYS 510 -15.570 -11.833 2.744
35 HZ3 LYS 510 2HZ LYS 510 -15.365 -11.708 4.418
36 H CYS 511 H CYS 511 -11.317 -4.092 1.975
37 HA CYS 511 HA CYS 511 -9.368 -3.035 2.483
38 HB2 CYS 511 2HB CYS 511 -10.161 -4.388 4.823
39 HB3 CYS 511 1HB CYS 511 -8.432 -4.676 4.666
40 H ASN 512 H ASN 512 -8.037 -3.446 0.803
41 HA ASN 512 HA ASN 512 -6.543 -5.958 0.794
42 HB2 ASN 512 2HB ASN 512 -6.734 -3.980 -1.472
43 HB3 ASN 512 1HB ASN 512 -6.110 -5.622 -1.535
44 HD21 ASN 512 1HD2 ASN 512 -9.056 -3.811 -0.746
45 HD22 ASN 512 2HD2 ASN 512 -10.150 -4.997 -1.359
46 HA PRO 513 HA PRO 513 -3.046 -2.815 0.720
47 HB2 PRO 513 2HB PRO 513 -3.646 -0.203 0.113
48 HB3 PRO 513 1HB PRO 513 -3.333 -1.461 -1.087
49 HG2 PRO 513 2HG PRO 513 -5.800 -0.098 -0.603
50 HG3 PRO 513 1HG PRO 513 -5.494 -1.410 -1.751
51 HD2 PRO 513 2HD PRO 513 -6.633 -1.529 0.993
52 HD3 PRO 513 1HD PRO 513 -6.941 -2.568 -0.413
53 H ASN 514 H ASN 514 -5.729 -2.166 2.658
54 HA ASN 514 HA ASN 514 -4.225 -0.288 4.342
55 HB2 ASN 514 2HB ASN 514 -7.123 -0.810 3.904
56 HB3 ASN 514 1HB ASN 514 -6.634 -0.348 5.531
57 HD21 ASN 514 1HD2 ASN 514 -7.173 0.692 2.314
58 HD22 ASN 514 2HD2 ASN 514 -6.808 2.362 2.548
59 H LEU 515 H LEU 515 -2.941 -2.355 4.689
60 HA LEU 515 HA LEU 515 -4.068 -3.729 7.020
61 HB2 LEU 515 2HB LEU 515 -2.317 -5.544 5.754
62 HB3 LEU 515 1HB LEU 515 -4.040 -5.687 6.019
63 HG LEU 515 HG LEU 515 -3.455 -6.125 3.712
64 HD11 LEU 515 1HD1 LEU 515 -4.792 -3.701 3.089
65 HD12 LEU 515 2HD1 LEU 515 -5.414 -4.319 4.616
66 HD13 LEU 515 3HD1 LEU 515 -5.436 -5.335 3.176
67 HD21 LEU 515 3HD2 LEU 515 -1.749 -5.012 2.831
68 HD22 LEU 515 1HD2 LEU 515 -1.861 -3.726 4.028
69 HD23 LEU 515 2HD2 LEU 515 -2.869 -3.675 2.585
70 H HIS 516 H HIS 516 -1.223 -2.285 5.569
71 HA HIS 516 HA HIS 516 0.089 -2.094 8.047
72 HB2 HIS 516 2HB HIS 516 2.011 -3.770 7.244
73 HB3 HIS 516 1HB HIS 516 0.645 -4.306 8.219
74 HD1 HIS 516 1HD HIS 516 0.860 -6.717 7.187
75 HD2 HIS 516 2HD HIS 516 0.019 -3.714 4.447
76 HE1 HIS 516 1HE HIS 516 0.137 -7.891 5.079
77 HE2 HIS 516 2HE HIS 516 -0.230 -6.063 3.410
78 H TYR 517 H TYR 517 1.775 -3.090 5.103
79 HA TYR 517 HA TYR 517 3.573 -0.969 5.145
80 HB2 TYR 517 2HB TYR 517 2.988 -2.312 2.564
81 HB3 TYR 517 1HB TYR 517 4.533 -1.848 3.258
82 HD1 TYR 517 1HD TYR 517 1.839 -4.354 3.352
83 HD2 TYR 517 2HD TYR 517 5.778 -3.365 4.612
84 HE1 TYR 517 1HE TYR 517 2.201 -6.689 4.036
85 HE2 TYR 517 2HE TYR 517 6.146 -5.693 5.321
86 HH TYR 517 HH TYR 517 4.887 -7.651 5.940
87 H TRP 518 H TRP 518 0.463 -0.498 4.627
88 HA TRP 518 HA TRP 518 0.951 1.718 2.781
89 HB2 TRP 518 2HB TRP 518 -1.704 0.444 2.604
90 HB3 TRP 518 1HB TRP 518 -0.715 1.122 1.342
91 HD1 TRP 518 HD TRP 518 0.342 -1.891 3.511
92 HE1 TRP 518 1HE TRP 518 0.661 -3.875 1.959
93 HE3 TRP 518 3HE TRP 518 -1.318 0.205 -0.844
94 HZ2 TRP 518 2HZ TRP 518 0.237 -4.529 -0.762
95 HZ3 TRP 518 3HZ TRP 518 -1.340 -1.177 -2.879
96 HH2 TRP 518 HH TRP 518 -0.578 -3.497 -2.837
97 H THR 519 H THR 519 -1.073 0.222 5.208
98 HA THR 519 HA THR 519 -2.562 2.632 5.747
99 HB THR 519 HB THR 519 -3.652 0.494 6.040
100 HG1 THR 519 1HG THR 519 -4.124 2.270 7.515
101 HG21 THR 519 3HG2 THR 519 -2.892 -1.262 7.183
102 HG22 THR 519 1HG2 THR 519 -2.251 -0.266 8.489
103 HG23 THR 519 2HG2 THR 519 -1.321 -0.482 7.007
104 H THR 520 H THR 520 0.491 1.488 6.703
105 HA THR 520 HA THR 520 0.399 2.970 9.224
106 HB THR 520 HB THR 520 1.630 0.574 8.525
107 HG1 THR 520 1HG THR 520 2.263 2.206 10.745
108 HG21 THR 520 3HG2 THR 520 3.725 2.715 8.764
109 HG22 THR 520 1HG2 THR 520 3.587 1.439 7.555
110 HG23 THR 520 2HG2 THR 520 4.020 1.037 9.215
111 H GLN 521 H GLN 521 2.711 2.695 6.506
112 HA GLN 521 HA GLN 521 3.513 5.454 7.050
113 HB2 GLN 521 2HB GLN 521 5.527 4.981 5.805
114 HB3 GLN 521 1HB GLN 521 5.274 3.716 6.997
115 HG2 GLN 521 2HG GLN 521 4.796 2.127 5.420
116 HG3 GLN 521 1HG GLN 521 4.267 3.309 4.231
117 HE21 GLN 521 1HE2 GLN 521 6.318 5.019 3.983
118 HE22 GLN 521 2HE2 GLN 521 7.746 4.201 3.463
119 H ASP 522 H ASP 522 4.604 6.055 4.567
120 HA ASP 522 HA ASP 522 2.163 6.539 3.018
121 HB2 ASP 522 2HB ASP 522 4.704 8.008 3.429
122 HB3 ASP 522 1HB ASP 522 3.880 8.209 1.888
123 H GLU 523 H GLU 523 3.601 4.051 2.862
124 HA GLU 523 HA GLU 523 4.631 2.617 1.386
125 HB2 GLU 523 2HB GLU 523 2.619 4.130 -0.250
126 HB3 GLU 523 1HB GLU 523 3.587 2.847 -0.961
127 HG2 GLU 523 2HG GLU 523 2.456 1.232 0.082
128 HG3 GLU 523 1HG GLU 523 2.311 2.163 1.570
129 H GLY 524 H GLY 524 6.678 3.605 1.665
130 HA2 GLY 524 2HA GLY 524 8.663 4.063 0.457
131 HA3 GLY 524 1HA GLY 524 7.682 4.749 -0.834
132 H ALA 525 H ALA 525 6.143 6.076 1.517
133 HA ALA 525 HA ALA 525 6.013 8.325 1.987
134 HB1 ALA 525 1HB ALA 525 8.279 8.303 3.731
135 HB2 ALA 525 2HB ALA 525 7.389 6.782 3.821
136 HB3 ALA 525 3HB ALA 525 6.557 8.308 4.128
137 H ALA 526 H ALA 526 7.714 8.000 -0.361
138 HA ALA 526 HA ALA 526 9.337 9.066 -1.525
139 HB1 ALA 526 1HB ALA 526 7.297 10.733 -1.055
140 HB2 ALA 526 2HB ALA 526 8.701 11.184 -2.023
141 HB3 ALA 526 3HB ALA 526 8.608 11.665 -0.329
142 H ILE 527 H ILE 527 9.942 8.363 1.397
143 HA ILE 527 HA ILE 527 11.716 10.222 2.482
144 HB ILE 527 HB ILE 527 12.827 8.060 3.416
145 HG12 ILE 527 2HG1 ILE 527 11.208 6.872 1.535
146 HG13 ILE 527 1HG1 ILE 527 11.958 6.047 2.895
147 HG21 ILE 527 1HG2 ILE 527 10.091 9.085 4.048
148 HG22 ILE 527 2HG2 ILE 527 11.613 9.403 4.880
149 HG23 ILE 527 3HG2 ILE 527 10.848 7.820 5.015
150 HD11 ILE 527 3HD1 ILE 527 9.179 7.098 2.650
151 HD12 ILE 527 1HD1 ILE 527 9.861 6.570 4.186
152 HD13 ILE 527 2HD1 ILE 527 9.694 5.428 2.852
153 H GLY 528 H GLY 528 12.119 7.752 0.042
154 HA2 GLY 528 2HA GLY 528 14.255 8.987 -1.253
155 HA3 GLY 528 1HA GLY 528 14.957 7.862 -0.102
156 H LEU 529 H LEU 529 12.957 5.837 -0.318
157 HA LEU 529 HA LEU 529 12.390 4.027 -1.535
158 HB2 LEU 529 2HB LEU 529 11.998 6.158 -3.266
159 HB3 LEU 529 1HB LEU 529 12.938 5.008 -4.199
160 HG LEU 529 HG LEU 529 10.182 4.725 -3.081
161 HD11 LEU 529 1HD1 LEU 529 9.905 5.195 -5.266
162 HD12 LEU 529 2HD1 LEU 529 10.240 3.475 -5.468
163 HD13 LEU 529 3HD1 LEU 529 11.528 4.657 -5.696
164 HD21 LEU 529 3HD2 LEU 529 11.122 2.790 -2.168
165 HD22 LEU 529 1HD2 LEU 529 12.152 2.519 -3.574
166 HD23 LEU 529 2HD2 LEU 529 10.409 2.260 -3.695
167 H ALA 530 H ALA 530 15.222 5.628 -2.895
168 HA ALA 530 HA ALA 530 16.308 3.170 -3.836
169 HB1 ALA 530 1HB ALA 530 17.142 5.998 -3.859
170 HB2 ALA 530 2HB ALA 530 17.147 4.801 -5.154
171 HB3 ALA 530 3HB ALA 530 18.434 4.800 -3.947
172 H TRP 531 H TRP 531 16.399 4.806 -0.840
173 HA TRP 531 HA TRP 531 18.778 4.249 0.330
174 HB2 TRP 531 2HB TRP 531 17.444 3.885 2.475
175 HB3 TRP 531 1HB TRP 531 17.140 5.390 1.617
176 HD1 TRP 531 HD TRP 531 14.974 4.936 -0.298
177 HE1 TRP 531 1HE TRP 531 12.666 4.065 0.318
178 HE3 TRP 531 3HE TRP 531 16.139 2.677 4.127
179 HZ2 TRP 531 2HZ TRP 531 11.452 2.603 2.424
180 HZ3 TRP 531 3HZ TRP 531 14.342 1.566 5.388
181 HH2 TRP 531 HH TRP 531 12.047 1.530 4.553
182 H ILE 532 H ILE 532 16.301 1.967 -0.557
183 HA ILE 532 HA ILE 532 17.786 -0.220 0.708
184 HB ILE 532 HB ILE 532 15.767 -1.543 0.340
185 HG12 ILE 532 2HG1 ILE 532 15.138 0.635 -1.445
186 HG13 ILE 532 1HG1 ILE 532 14.390 -0.947 -1.317
187 HG21 ILE 532 1HG2 ILE 532 14.290 -0.285 1.903
188 HG22 ILE 532 2HG2 ILE 532 15.363 1.103 1.708
189 HG23 ILE 532 3HG2 ILE 532 15.972 -0.391 2.426
190 HD11 ILE 532 3HD1 ILE 532 12.856 1.011 -1.050
191 HD12 ILE 532 1HD1 ILE 532 13.675 1.361 0.470
192 HD13 ILE 532 2HD1 ILE 532 12.808 -0.162 0.265
193 HA PRO 533 HA PRO 533 19.255 -1.816 -3.129
194 HB2 PRO 533 2HB PRO 533 18.872 -4.506 -2.826
195 HB3 PRO 533 1HB PRO 533 20.175 -3.607 -2.041
196 HG2 PRO 533 2HG PRO 533 17.536 -4.474 -0.930
197 HG3 PRO 533 1HG PRO 533 19.139 -4.520 -0.173
198 HD2 PRO 533 2HD PRO 533 17.348 -2.597 0.406
199 HD3 PRO 533 1HD PRO 533 19.092 -2.270 0.359
200 H TYR 534 H TYR 534 16.188 -3.332 -2.107
201 HA TYR 534 HA TYR 534 14.967 -2.670 -4.621
202 HB2 TYR 534 2HB TYR 534 14.488 -4.966 -5.334
203 HB3 TYR 534 1HB TYR 534 16.218 -4.645 -5.296
204 HD1 TYR 534 2HD TYR 534 13.451 -6.382 -3.584
205 HD2 TYR 534 1HD TYR 534 17.666 -5.852 -3.827
206 HE1 TYR 534 2HE TYR 534 13.775 -8.351 -2.146
207 HE2 TYR 534 1HE TYR 534 18.001 -7.819 -2.390
208 HH TYR 534 HH TYR 534 16.825 -9.829 -1.713
209 H PHE 535 H PHE 535 14.616 -3.002 -1.408
210 HA PHE 535 HA PHE 535 12.191 -4.407 -1.116
211 HB2 PHE 535 2HB PHE 535 12.900 -2.077 0.639
212 HB3 PHE 535 1HB PHE 535 12.101 -3.580 1.069
213 HD1 PHE 535 1HD PHE 535 14.241 -5.300 -0.473
214 HD2 PHE 535 2HD PHE 535 14.446 -2.227 2.466
215 HE1 PHE 535 1HE PHE 535 16.390 -6.201 0.319
216 HE2 PHE 535 2HE PHE 535 16.594 -3.121 3.259
217 HZ PHE 535 HZ PHE 535 17.569 -5.109 2.186
218 H GLY 536 H GLY 536 12.917 -1.175 -2.162
219 HA2 GLY 536 2HA GLY 536 10.045 -0.528 -2.191
220 HA3 GLY 536 1HA GLY 536 11.335 0.659 -2.159
221 HA PRO 537 HA PRO 537 11.758 1.059 -6.539
222 HB2 PRO 537 2HB PRO 537 14.063 -0.838 -6.659
223 HB3 PRO 537 1HB PRO 537 13.911 0.792 -7.330
224 HG2 PRO 537 2HG PRO 537 15.332 0.378 -5.124
225 HG3 PRO 537 1HG PRO 537 14.302 1.814 -5.278
226 HD2 PRO 537 2HD PRO 537 13.856 -0.682 -3.709
227 HD3 PRO 537 1HD PRO 537 13.410 0.990 -3.318
228 H ALA 538 H ALA 538 12.500 -2.310 -5.652
229 HA ALA 538 HA ALA 538 11.255 -3.350 -8.032
230 HB1 ALA 538 1HB ALA 538 13.220 -4.380 -6.768
231 HB2 ALA 538 2HB ALA 538 11.943 -5.471 -7.305
232 HB3 ALA 538 3HB ALA 538 12.018 -4.965 -5.618
233 H ALA 539 H ALA 539 10.314 -2.639 -4.777
234 HA ALA 539 HA ALA 539 8.108 -4.331 -4.472
235 HB1 ALA 539 1HB ALA 539 8.531 -3.349 -2.490
236 HB2 ALA 539 2HB ALA 539 7.339 -2.179 -3.056
237 HB3 ALA 539 3HB ALA 539 9.060 -1.838 -3.228
238 H GLU 540 H GLU 540 5.980 -4.167 -4.988
239 HA GLU 540 HA GLU 540 5.138 -1.889 -6.648
240 HB2 GLU 540 2HB GLU 540 4.366 -4.761 -7.177
241 HB3 GLU 540 1HB GLU 540 3.978 -3.358 -8.165
242 HG2 GLU 540 2HG GLU 540 6.656 -3.182 -8.144
243 HG3 GLU 540 1HG GLU 540 6.460 -4.928 -7.989
244 H GLY 541 H GLY 541 4.401 -4.269 -4.256
245 HA2 GLY 541 2HA GLY 541 1.736 -3.060 -3.871
246 HA3 GLY 541 1HA GLY 541 2.091 -4.749 -3.524
247 H ILE 542 H ILE 542 4.118 -1.976 -2.822
248 HA ILE 542 HA ILE 542 3.493 -2.061 0.018
249 HB ILE 542 HB ILE 542 6.388 -2.233 -0.709
250 HG12 ILE 542 2HG1 ILE 542 6.142 -4.753 -0.175
251 HG13 ILE 542 1HG1 ILE 542 4.453 -4.528 -0.626
252 HG21 ILE 542 1HG2 ILE 542 5.517 -1.648 1.585
253 HG22 ILE 542 2HG2 ILE 542 6.666 -2.985 1.514
254 HG23 ILE 542 3HG2 ILE 542 4.943 -3.312 1.697
255 HD11 ILE 542 3HD1 ILE 542 5.169 -5.001 -2.689
256 HD12 ILE 542 1HD1 ILE 542 6.849 -4.648 -2.293
257 HD13 ILE 542 2HD1 ILE 542 5.748 -3.330 -2.705
258 H TYR 543 H TYR 543 5.260 -0.719 -2.690
259 HA TYR 543 HA TYR 543 5.643 1.778 -1.263
260 HB2 TYR 543 2HB TYR 543 7.545 1.995 -2.446
261 HB3 TYR 543 1HB TYR 543 7.361 0.276 -2.721
262 HD1 TYR 543 1HD TYR 543 5.752 -0.266 -4.803
263 HD2 TYR 543 2HD TYR 543 8.033 3.287 -4.285
264 HE1 TYR 543 1HE TYR 543 5.703 0.113 -7.228
265 HE2 TYR 543 2HE TYR 543 7.997 3.677 -6.708
266 HH TYR 543 HH TYR 543 6.908 1.294 -8.938
267 H ILE 544 H ILE 544 4.017 0.326 -3.968
268 HA ILE 544 HA ILE 544 2.745 1.159 -5.693
269 HB ILE 544 HB ILE 544 1.379 2.612 -3.443
270 HG12 ILE 544 2HG1 ILE 544 0.098 0.428 -3.192
271 HG13 ILE 544 1HG1 ILE 544 1.401 -0.330 -4.101
272 HG21 ILE 544 1HG2 ILE 544 0.254 3.132 -5.387
273 HG22 ILE 544 2HG2 ILE 544 -0.622 1.705 -4.835
274 HG23 ILE 544 3HG2 ILE 544 0.578 1.562 -6.119
275 HD11 ILE 544 3HD1 ILE 544 1.272 0.032 -1.367
276 HD12 ILE 544 1HD1 ILE 544 2.409 1.264 -1.915
277 HD13 ILE 544 2HD1 ILE 544 2.689 -0.431 -2.306
278 H GLU 545 H GLU 545 2.647 3.934 -3.511
279 HA GLU 545 HA GLU 545 3.104 6.141 -3.795
280 HB2 GLU 545 2HB GLU 545 4.587 5.361 -6.301
281 HB3 GLU 545 1HB GLU 545 4.803 6.819 -5.336
282 HG2 GLU 545 2HG GLU 545 5.422 5.262 -3.429
283 HG3 GLU 545 1HG GLU 545 5.552 4.002 -4.655
284 H GLY 546 H GLY 546 0.942 6.567 -4.130
285 HA2 GLY 546 2HA GLY 546 0.146 8.145 -6.158
286 HA3 GLY 546 1HA GLY 546 -0.174 6.540 -6.798
287 H LEU 547 H LEU 547 -0.685 5.696 -3.889
288 HA LEU 547 HA LEU 547 -3.369 6.897 -3.628
289 HB2 LEU 547 2HB LEU 547 -4.402 4.843 -3.329
290 HB3 LEU 547 1HB LEU 547 -3.269 4.539 -4.630
291 HG LEU 547 HG LEU 547 -2.883 3.766 -1.736
292 HD11 LEU 547 1HD1 LEU 547 -3.216 1.953 -4.107
293 HD12 LEU 547 2HD1 LEU 547 -4.576 2.482 -3.117
294 HD13 LEU 547 3HD1 LEU 547 -3.273 1.540 -2.393
295 HD21 LEU 547 3HD2 LEU 547 -0.716 4.006 -2.372
296 HD22 LEU 547 1HD2 LEU 547 -1.078 3.786 -4.084
297 HD23 LEU 547 2HD2 LEU 547 -1.006 2.388 -3.011
298 H MET 548 H MET 548 -0.483 5.920 -2.117
299 HA MET 548 HA MET 548 -1.277 5.479 0.508
300 HB2 MET 548 2HB MET 548 1.121 6.542 0.981
301 HB3 MET 548 1HB MET 548 0.922 4.931 0.330
302 HG2 MET 548 2HG MET 548 2.643 5.930 -0.903
303 HG3 MET 548 1HG MET 548 1.252 5.946 -1.966
304 HE1 MET 548 3HE MET 548 0.336 9.463 -2.526
305 HE2 MET 548 1HE MET 548 -0.044 7.745 -2.636
306 HE3 MET 548 2HE MET 548 1.300 8.411 -3.561
307 H HIS 549 H HIS 549 -2.645 6.810 1.521
308 HA HIS 549 HA HIS 549 -1.755 9.179 2.657
309 HB2 HIS 549 2HB HIS 549 -3.646 10.597 1.346
310 HB3 HIS 549 1HB HIS 549 -1.943 10.601 0.911
311 HD1 HIS 549 1HD HIS 549 -5.281 9.383 -0.243
312 HD2 HIS 549 2HD HIS 549 -1.322 9.331 -1.500
313 HE1 HIS 549 1HE HIS 549 -5.348 8.663 -2.651
314 HE2 HIS 549 2HE HIS 549 -2.958 8.796 -3.428
315 H ASN 550 H ASN 550 -4.885 8.173 1.258
316 HA ASN 550 HA ASN 550 -6.003 7.151 3.573
317 HB2 ASN 550 2HB ASN 550 -5.691 9.909 3.847
318 HB3 ASN 550 1HB ASN 550 -7.389 9.702 3.430
319 HD21 ASN 550 1HD2 ASN 550 -8.726 8.509 4.805
320 HD22 ASN 550 2HD2 ASN 550 -8.294 8.200 6.448
321 H GLN 551 H GLN 551 -7.309 5.809 2.516
322 HA GLN 551 HA GLN 551 -9.254 6.970 0.652
323 HB2 GLN 551 2HB GLN 551 -8.252 4.199 0.179
324 HB3 GLN 551 1HB GLN 551 -8.943 5.344 -0.959
325 HG2 GLN 551 2HG GLN 551 -6.893 5.795 -1.640
326 HG3 GLN 551 1HG GLN 551 -6.591 6.544 -0.075
327 HE21 GLN 551 1HE2 GLN 551 -6.757 4.068 1.423
328 HE22 GLN 551 2HE2 GLN 551 -5.313 3.187 1.064
329 H ASP 552 H ASP 552 -8.647 3.748 1.923
330 HA ASP 552 HA ASP 552 -10.061 2.189 2.807
331 HB2 ASP 552 2HB ASP 552 -9.984 4.529 4.503
332 HB3 ASP 552 1HB ASP 552 -11.539 3.717 4.660
333 H GLY 553 H GLY 553 -11.067 3.656 0.491
334 HA2 GLY 553 2HA GLY 553 -13.946 3.170 0.913
335 HA3 GLY 553 1HA GLY 553 -13.382 4.570 0.003
336 H LEU 554 H LEU 554 -11.200 3.229 -1.246
337 HA LEU 554 HA LEU 554 -12.644 1.867 -3.366
338 HB2 LEU 554 2HB LEU 554 -10.493 2.033 -4.575
339 HB3 LEU 554 1HB LEU 554 -11.104 3.585 -4.038
340 HG LEU 554 HG LEU 554 -9.431 2.799 -1.957
341 HD11 LEU 554 1HD1 LEU 554 -8.680 1.005 -3.651
342 HD12 LEU 554 2HD1 LEU 554 -7.449 1.955 -2.818
343 HD13 LEU 554 3HD1 LEU 554 -7.885 2.342 -4.481
344 HD21 LEU 554 3HD2 LEU 554 -9.651 5.052 -2.831
345 HD22 LEU 554 1HD2 LEU 554 -8.857 4.573 -4.332
346 HD23 LEU 554 2HD2 LEU 554 -7.955 4.568 -2.816
347 H ILE 555 H ILE 555 -11.141 0.978 -0.544
348 HA ILE 555 HA ILE 555 -10.733 -1.746 -1.514
349 HB ILE 555 HB ILE 555 -8.669 -1.972 -0.219
350 HG12 ILE 555 2HG1 ILE 555 -9.088 -0.170 1.424
351 HG13 ILE 555 1HG1 ILE 555 -7.514 -0.030 0.668
352 HG21 ILE 555 1HG2 ILE 555 -8.968 -0.712 -2.671
353 HG22 ILE 555 2HG2 ILE 555 -7.504 -1.460 -2.032
354 HG23 ILE 555 3HG2 ILE 555 -7.788 0.269 -1.801
355 HD11 ILE 555 3HD1 ILE 555 -9.059 1.503 -0.956
356 HD12 ILE 555 1HD1 ILE 555 -8.036 2.094 0.350
357 HD13 ILE 555 2HD1 ILE 555 -9.754 1.808 0.634
358 H CYS 556 H CYS 556 -10.942 0.431 1.262
359 HA CYS 556 HA CYS 556 -12.049 -1.781 2.837
360 HB2 CYS 556 2HB CYS 556 -9.844 -0.293 3.421
361 HB3 CYS 556 1HB CYS 556 -11.091 0.613 4.270
362 H GLY 557 H GLY 557 -13.958 -0.830 1.373
363 HA2 GLY 557 2HA GLY 557 -15.236 1.417 2.760
364 HA3 GLY 557 1HA GLY 557 -15.726 0.753 1.211
365 H LEU 558 H LEU 558 -16.179 -1.813 1.584
366 HA LEU 558 HA LEU 558 -17.740 -2.202 4.002
367 HB2 LEU 558 2HB LEU 558 -19.780 -2.731 2.862
368 HB3 LEU 558 1HB LEU 558 -19.268 -1.123 2.391
369 HG LEU 558 HG LEU 558 -18.727 -3.545 0.686
370 HD11 LEU 558 1HD1 LEU 558 -21.069 -1.661 0.500
371 HD12 LEU 558 2HD1 LEU 558 -21.144 -3.332 1.059
372 HD13 LEU 558 3HD1 LEU 558 -20.690 -2.979 -0.609
373 HD21 LEU 558 3HD2 LEU 558 -19.082 -1.133 -0.761
374 HD22 LEU 558 1HD2 LEU 558 -17.621 -2.104 -0.583
375 HD23 LEU 558 2HD2 LEU 558 -17.964 -0.810 0.563
376 H ARG 559 H ARG 559 -16.762 -3.555 0.861
377 HA ARG 559 HA ARG 559 -15.523 -5.805 1.913
378 HB2 ARG 559 2HB ARG 559 -17.116 -7.587 1.477
379 HB3 ARG 559 1HB ARG 559 -17.805 -6.447 2.625
380 HG2 ARG 559 2HG ARG 559 -18.431 -5.751 -0.115
381 HG3 ARG 559 1HG ARG 559 -18.992 -7.372 0.311
382 HD2 ARG 559 2HD ARG 559 -19.564 -4.862 1.884
383 HD3 ARG 559 1HD ARG 559 -20.680 -5.623 0.751
384 HE ARG 559 HE ARG 559 -20.026 -7.596 2.533
385 HH11 ARG 559 1HH1 ARG 559 -21.407 -4.399 2.765
386 HH12 ARG 559 2HH1 ARG 559 -22.340 -4.769 4.176
387 HH21 ARG 559 1HH2 ARG 559 -21.254 -8.083 4.389
388 HH22 ARG 559 2HH2 ARG 559 -22.254 -6.860 5.098
389 H GLN 560 H GLN 560 -15.142 -3.942 -0.145
390 HA GLN 560 HA GLN 560 -15.301 -5.603 -2.563
391 HB2 GLN 560 2HB GLN 560 -15.204 -3.642 -3.870
392 HB3 GLN 560 1HB GLN 560 -16.326 -3.285 -2.567
393 HG2 GLN 560 2HG GLN 560 -13.685 -2.523 -1.780
394 HG3 GLN 560 1HG GLN 560 -14.056 -1.830 -3.358
395 HE21 GLN 560 1HE2 GLN 560 -15.008 -2.011 -0.010
396 HE22 GLN 560 2HE2 GLN 560 -15.997 -0.596 -0.009
Start of MODEL 19
1 H1 ALA 507 1HT ALA 507 -15.610 -12.366 -5.143
2 H2 ALA 507 2HT ALA 507 -16.733 -13.366 -4.317
3 H3 ALA 507 3HT ALA 507 -15.301 -14.043 -4.975
4 HA ALA 507 HA ALA 507 -15.272 -13.736 -2.567
5 HB1 ALA 507 1HB ALA 507 -13.306 -13.120 -4.525
6 HB2 ALA 507 2HB ALA 507 -13.080 -13.772 -2.902
7 HB3 ALA 507 3HB ALA 507 -13.089 -12.027 -3.159
8 H GLN 508 H GLN 508 -13.913 -11.656 -1.379
9 HA GLN 508 HA GLN 508 -15.159 -9.134 -1.774
10 HB2 GLN 508 2HB GLN 508 -16.365 -11.038 0.156
11 HB3 GLN 508 1HB GLN 508 -16.179 -9.377 0.703
12 HG2 GLN 508 2HG GLN 508 -17.260 -9.091 -1.810
13 HG3 GLN 508 1HG GLN 508 -18.069 -10.525 -1.179
14 HE21 GLN 508 1HE2 GLN 508 -18.499 -7.389 -1.543
15 HE22 GLN 508 2HE2 GLN 508 -19.421 -7.008 -0.132
16 HA PRO 509 HA PRO 509 -11.157 -9.455 0.710
17 HB2 PRO 509 2HB PRO 509 -10.278 -7.519 -1.341
18 HB3 PRO 509 1HB PRO 509 -9.468 -8.971 -0.746
19 HG2 PRO 509 2HG PRO 509 -10.566 -8.893 -3.185
20 HG3 PRO 509 1HG PRO 509 -10.614 -10.363 -2.193
21 HD2 PRO 509 2HD PRO 509 -12.765 -8.341 -2.693
22 HD3 PRO 509 1HD PRO 509 -12.879 -10.110 -2.609
23 H LYS 510 H LYS 510 -12.084 -8.328 2.423
24 HA LYS 510 HA LYS 510 -12.733 -5.527 2.172
25 HB2 LYS 510 2HB LYS 510 -12.535 -7.190 4.688
26 HB3 LYS 510 1HB LYS 510 -13.352 -5.644 4.507
27 HG2 LYS 510 2HG LYS 510 -15.160 -6.557 3.472
28 HG3 LYS 510 1HG LYS 510 -14.228 -7.879 2.766
29 HD2 LYS 510 2HD LYS 510 -14.235 -8.016 5.656
30 HD3 LYS 510 1HD LYS 510 -15.877 -7.999 5.009
31 HE2 LYS 510 2HE LYS 510 -15.371 -10.256 5.015
32 HE3 LYS 510 1HE LYS 510 -14.980 -9.786 3.362
33 HZ1 LYS 510 3HZ LYS 510 -13.193 -11.087 4.116
34 HZ2 LYS 510 1HZ LYS 510 -13.108 -10.281 5.602
35 HZ3 LYS 510 2HZ LYS 510 -12.634 -9.492 4.184
36 H CYS 511 H CYS 511 -11.226 -4.004 2.168
37 HA CYS 511 HA CYS 511 -9.373 -2.789 2.686
38 HB2 CYS 511 2HB CYS 511 -9.929 -4.318 5.126
39 HB3 CYS 511 1HB CYS 511 -8.240 -3.848 4.963
40 H ASN 512 H ASN 512 -8.229 -3.526 0.880
41 HA ASN 512 HA ASN 512 -6.552 -5.871 1.146
42 HB2 ASN 512 2HB ASN 512 -6.721 -3.966 -1.191
43 HB3 ASN 512 1HB ASN 512 -5.983 -5.561 -1.180
44 HD21 ASN 512 1HD2 ASN 512 -9.047 -3.860 -0.815
45 HD22 ASN 512 2HD2 ASN 512 -10.041 -5.162 -1.353
46 HA PRO 513 HA PRO 513 -3.178 -2.569 1.208
47 HB2 PRO 513 2HB PRO 513 -3.811 -0.045 0.408
48 HB3 PRO 513 1HB PRO 513 -3.472 -1.362 -0.719
49 HG2 PRO 513 2HG PRO 513 -5.980 -0.010 -0.277
50 HG3 PRO 513 1HG PRO 513 -5.617 -1.293 -1.441
51 HD2 PRO 513 2HD PRO 513 -6.832 -1.481 1.255
52 HD3 PRO 513 1HD PRO 513 -7.025 -2.543 -0.154
53 H ASN 514 H ASN 514 -5.693 -2.480 3.122
54 HA ASN 514 HA ASN 514 -4.670 -0.294 4.805
55 HB2 ASN 514 2HB ASN 514 -7.444 -1.022 4.033
56 HB3 ASN 514 1HB ASN 514 -7.198 -0.570 5.717
57 HD21 ASN 514 1HD2 ASN 514 -7.295 0.520 2.441
58 HD22 ASN 514 2HD2 ASN 514 -7.127 2.205 2.780
59 H LEU 515 H LEU 515 -3.358 -2.449 5.147
60 HA LEU 515 HA LEU 515 -4.629 -3.968 7.320
61 HB2 LEU 515 2HB LEU 515 -2.164 -5.030 6.108
62 HB3 LEU 515 1HB LEU 515 -3.618 -5.862 6.611
63 HG LEU 515 HG LEU 515 -3.451 -6.182 4.284
64 HD11 LEU 515 1HD1 LEU 515 -5.321 -4.255 3.605
65 HD12 LEU 515 2HD1 LEU 515 -5.557 -4.504 5.335
66 HD13 LEU 515 3HD1 LEU 515 -5.644 -5.872 4.227
67 HD21 LEU 515 3HD2 LEU 515 -3.492 -3.426 3.364
68 HD22 LEU 515 1HD2 LEU 515 -2.477 -4.776 2.852
69 HD23 LEU 515 2HD2 LEU 515 -2.028 -3.819 4.264
70 H HIS 516 H HIS 516 -1.446 -2.730 6.276
71 HA HIS 516 HA HIS 516 -0.854 -1.534 8.751
72 HB2 HIS 516 2HB HIS 516 0.405 -3.061 9.911
73 HB3 HIS 516 1HB HIS 516 -0.726 -4.162 9.126
74 HD1 HIS 516 1HD HIS 516 0.206 -5.733 7.343
75 HD2 HIS 516 2HD HIS 516 2.981 -3.030 8.815
76 HE1 HIS 516 1HE HIS 516 2.393 -6.409 6.319
77 HE2 HIS 516 2HE HIS 516 4.070 -4.748 7.206
78 H TYR 517 H TYR 517 0.870 -3.362 6.211
79 HA TYR 517 HA TYR 517 3.164 -1.832 6.079
80 HB2 TYR 517 2HB TYR 517 2.538 -2.583 3.399
81 HB3 TYR 517 1HB TYR 517 3.751 -3.249 4.469
82 HD1 TYR 517 1HD TYR 517 -0.003 -3.598 4.691
83 HD2 TYR 517 2HD TYR 517 3.748 -5.484 3.967
84 HE1 TYR 517 1HE TYR 517 -1.122 -5.775 4.581
85 HE2 TYR 517 2HE TYR 517 2.628 -7.669 3.863
86 HH TYR 517 HH TYR 517 -0.296 -8.211 3.274
87 H TRP 518 H TRP 518 0.041 -0.876 5.164
88 HA TRP 518 HA TRP 518 1.159 1.356 3.612
89 HB2 TRP 518 2HB TRP 518 -1.664 0.478 3.212
90 HB3 TRP 518 1HB TRP 518 -0.559 1.199 2.071
91 HD1 TRP 518 HD TRP 518 0.333 -2.045 3.899
92 HE1 TRP 518 1HE TRP 518 0.485 -3.911 2.211
93 HE3 TRP 518 3HE TRP 518 -1.393 0.455 -0.206
94 HZ2 TRP 518 2HZ TRP 518 -0.072 -4.340 -0.522
95 HZ3 TRP 518 3HZ TRP 518 -1.555 -0.774 -2.332
96 HH2 TRP 518 HH TRP 518 -0.905 -3.122 -2.488
97 H THR 519 H THR 519 -1.497 0.280 5.641
98 HA THR 519 HA THR 519 -2.605 2.806 6.189
99 HB THR 519 HB THR 519 -3.849 0.764 6.580
100 HG1 THR 519 1HG THR 519 -3.315 2.037 9.057
101 HG21 THR 519 3HG2 THR 519 -2.254 0.115 9.005
102 HG22 THR 519 1HG2 THR 519 -1.692 -0.442 7.430
103 HG23 THR 519 2HG2 THR 519 -3.286 -0.919 8.018
104 H THR 520 H THR 520 0.127 1.150 7.530
105 HA THR 520 HA THR 520 0.225 2.777 9.906
106 HB THR 520 HB THR 520 1.163 0.320 9.428
107 HG1 THR 520 1HG THR 520 1.068 1.227 11.463
108 HG21 THR 520 3HG2 THR 520 3.634 0.361 9.463
109 HG22 THR 520 1HG2 THR 520 3.581 2.069 9.025
110 HG23 THR 520 2HG2 THR 520 2.944 0.854 7.917
111 H GLN 521 H GLN 521 2.368 2.436 7.076
112 HA GLN 521 HA GLN 521 3.486 5.051 7.733
113 HB2 GLN 521 2HB GLN 521 5.399 4.464 6.497
114 HB3 GLN 521 1HB GLN 521 4.961 3.018 7.395
115 HG2 GLN 521 2HG GLN 521 4.252 1.901 5.500
116 HG3 GLN 521 1HG GLN 521 4.042 3.387 4.583
117 HE21 GLN 521 1HE2 GLN 521 6.104 4.646 4.199
118 HE22 GLN 521 2HE2 GLN 521 7.509 3.721 3.803
119 H ASP 522 H ASP 522 4.478 5.660 5.187
120 HA ASP 522 HA ASP 522 2.003 6.532 3.894
121 HB2 ASP 522 2HB ASP 522 4.686 7.689 4.238
122 HB3 ASP 522 1HB ASP 522 3.896 8.015 2.701
123 H GLU 523 H GLU 523 3.019 3.915 3.471
124 HA GLU 523 HA GLU 523 3.684 2.438 1.841
125 HB2 GLU 523 2HB GLU 523 1.828 4.380 0.554
126 HB3 GLU 523 1HB GLU 523 2.635 3.195 -0.466
127 HG2 GLU 523 2HG GLU 523 1.725 1.398 0.823
128 HG3 GLU 523 1HG GLU 523 1.021 2.533 1.972
129 H GLY 524 H GLY 524 5.895 3.098 2.125
130 HA2 GLY 524 2HA GLY 524 7.888 3.289 0.862
131 HA3 GLY 524 1HA GLY 524 6.990 4.186 -0.359
132 H ALA 525 H ALA 525 5.688 5.761 1.855
133 HA ALA 525 HA ALA 525 5.976 7.807 2.763
134 HB1 ALA 525 1HB ALA 525 7.232 7.700 4.595
135 HB2 ALA 525 2HB ALA 525 8.708 7.463 3.655
136 HB3 ALA 525 3HB ALA 525 7.677 6.085 4.042
137 H ALA 526 H ALA 526 7.365 7.151 0.001
138 HA ALA 526 HA ALA 526 8.671 8.237 -1.508
139 HB1 ALA 526 1HB ALA 526 7.862 10.297 -2.018
140 HB2 ALA 526 2HB ALA 526 7.960 10.867 -0.351
141 HB3 ALA 526 3HB ALA 526 6.632 9.819 -0.850
142 H ILE 527 H ILE 527 9.704 7.785 1.357
143 HA ILE 527 HA ILE 527 11.470 9.785 2.097
144 HB ILE 527 HB ILE 527 12.874 7.679 2.907
145 HG12 ILE 527 2HG1 ILE 527 11.546 5.728 3.310
146 HG13 ILE 527 1HG1 ILE 527 10.103 6.510 2.681
147 HG21 ILE 527 1HG2 ILE 527 10.277 8.656 4.054
148 HG22 ILE 527 2HG2 ILE 527 11.901 9.248 4.406
149 HG23 ILE 527 3HG2 ILE 527 11.419 7.634 4.929
150 HD11 ILE 527 3HD1 ILE 527 11.411 4.788 1.240
151 HD12 ILE 527 1HD1 ILE 527 12.470 6.159 0.912
152 HD13 ILE 527 2HD1 ILE 527 10.759 6.248 0.496
153 H GLY 528 H GLY 528 11.649 7.614 -0.577
154 HA2 GLY 528 2HA GLY 528 13.506 8.860 -2.061
155 HA3 GLY 528 1HA GLY 528 14.513 7.966 -0.934
156 H LEU 529 H LEU 529 13.214 5.600 -0.706
157 HA LEU 529 HA LEU 529 12.781 3.586 -1.675
158 HB2 LEU 529 2HB LEU 529 12.357 5.301 -4.102
159 HB3 LEU 529 1HB LEU 529 12.272 3.556 -4.175
160 HG LEU 529 HG LEU 529 10.347 3.489 -2.791
161 HD11 LEU 529 1HD1 LEU 529 9.389 5.578 -1.811
162 HD12 LEU 529 2HD1 LEU 529 10.889 6.400 -2.240
163 HD13 LEU 529 3HD1 LEU 529 10.914 5.063 -1.090
164 HD21 LEU 529 3HD2 LEU 529 9.008 5.513 -4.001
165 HD22 LEU 529 1HD2 LEU 529 9.360 3.956 -4.750
166 HD23 LEU 529 2HD2 LEU 529 10.404 5.342 -5.064
167 H ALA 530 H ALA 530 14.872 5.618 -3.643
168 HA ALA 530 HA ALA 530 16.411 3.380 -4.523
169 HB1 ALA 530 1HB ALA 530 15.991 5.538 -5.812
170 HB2 ALA 530 2HB ALA 530 17.616 4.857 -5.860
171 HB3 ALA 530 3HB ALA 530 17.267 6.231 -4.813
172 H TRP 531 H TRP 531 16.429 3.362 -1.798
173 HA TRP 531 HA TRP 531 19.220 4.049 -1.155
174 HB2 TRP 531 2HB TRP 531 18.387 4.134 1.258
175 HB3 TRP 531 1HB TRP 531 17.858 5.451 0.215
176 HD1 TRP 531 HD TRP 531 15.351 4.975 -0.950
177 HE1 TRP 531 1HE TRP 531 13.258 4.078 0.197
178 HE3 TRP 531 3HE TRP 531 17.538 2.807 3.119
179 HZ2 TRP 531 2HZ TRP 531 12.589 2.642 2.554
180 HZ3 TRP 531 3HZ TRP 531 16.103 1.697 4.781
181 HH2 TRP 531 HH TRP 531 13.678 1.619 4.503
182 H ILE 532 H ILE 532 16.860 1.658 -1.530
183 HA ILE 532 HA ILE 532 18.477 -0.321 -0.063
184 HB ILE 532 HB ILE 532 16.359 -1.689 -0.142
185 HG12 ILE 532 2HG1 ILE 532 15.461 0.274 -1.804
186 HG13 ILE 532 1HG1 ILE 532 14.449 -0.909 -0.991
187 HG21 ILE 532 1HG2 ILE 532 15.274 -0.213 1.725
188 HG22 ILE 532 2HG2 ILE 532 16.762 0.717 1.546
189 HG23 ILE 532 3HG2 ILE 532 16.835 -0.993 1.979
190 HD11 ILE 532 3HD1 ILE 532 14.132 0.709 0.853
191 HD12 ILE 532 1HD1 ILE 532 13.498 1.255 -0.701
192 HD13 ILE 532 2HD1 ILE 532 15.028 1.894 -0.100
193 HA PRO 533 HA PRO 533 18.761 -2.484 -3.927
194 HB2 PRO 533 2HB PRO 533 19.206 -4.999 -3.110
195 HB3 PRO 533 1HB PRO 533 20.351 -3.694 -2.786
196 HG2 PRO 533 2HG PRO 533 18.519 -5.087 -0.941
197 HG3 PRO 533 1HG PRO 533 20.024 -4.224 -0.594
198 HD2 PRO 533 2HD PRO 533 17.329 -3.279 -0.310
199 HD3 PRO 533 1HD PRO 533 18.835 -2.409 0.040
200 H TYR 534 H TYR 534 15.906 -2.758 -2.252
201 HA TYR 534 HA TYR 534 14.524 -3.864 -4.430
202 HB2 TYR 534 2HB TYR 534 13.787 -6.022 -3.403
203 HB3 TYR 534 1HB TYR 534 15.481 -5.975 -3.875
204 HD1 TYR 534 1HD TYR 534 13.196 -5.731 -0.966
205 HD2 TYR 534 2HD TYR 534 17.188 -6.362 -2.295
206 HE1 TYR 534 1HE TYR 534 13.836 -6.418 1.305
207 HE2 TYR 534 2HE TYR 534 17.840 -7.051 -0.025
208 HH TYR 534 HH TYR 534 16.854 -7.896 1.998
209 H PHE 535 H PHE 535 14.479 -3.014 -1.016
210 HA PHE 535 HA PHE 535 11.741 -3.341 -0.531
211 HB2 PHE 535 2HB PHE 535 13.492 -1.164 0.624
212 HB3 PHE 535 1HB PHE 535 11.968 -1.732 1.280
213 HD1 PHE 535 2HD PHE 535 15.453 -2.712 0.603
214 HD2 PHE 535 1HD PHE 535 11.890 -3.561 2.745
215 HE1 PHE 535 2HE PHE 535 16.689 -4.295 1.993
216 HE2 PHE 535 1HE PHE 535 13.119 -5.161 4.153
217 HZ PHE 535 HZ PHE 535 15.526 -5.530 3.777
218 H GLY 536 H GLY 536 13.422 -0.896 -2.345
219 HA2 GLY 536 2HA GLY 536 10.919 0.649 -2.550
220 HA3 GLY 536 1HA GLY 536 12.525 1.310 -2.805
221 HA PRO 537 HA PRO 537 12.491 0.619 -7.143
222 HB2 PRO 537 2HB PRO 537 14.617 -1.450 -6.971
223 HB3 PRO 537 1HB PRO 537 14.584 0.055 -7.895
224 HG2 PRO 537 2HG PRO 537 16.075 -0.154 -5.700
225 HG3 PRO 537 1HG PRO 537 15.201 1.347 -6.062
226 HD2 PRO 537 2HD PRO 537 14.529 -0.818 -4.110
227 HD3 PRO 537 1HD PRO 537 14.370 0.941 -3.942
228 H ALA 538 H ALA 538 12.819 -2.412 -5.338
229 HA ALA 538 HA ALA 538 11.445 -3.910 -7.407
230 HB1 ALA 538 1HB ALA 538 13.373 -4.687 -5.781
231 HB2 ALA 538 2HB ALA 538 12.138 -5.810 -6.347
232 HB3 ALA 538 3HB ALA 538 12.010 -5.095 -4.740
233 H ALA 539 H ALA 539 10.624 -2.165 -4.576
234 HA ALA 539 HA ALA 539 8.387 -3.552 -3.646
235 HB1 ALA 539 1HB ALA 539 8.689 -1.915 -2.163
236 HB2 ALA 539 2HB ALA 539 7.743 -0.903 -3.253
237 HB3 ALA 539 3HB ALA 539 9.505 -0.885 -3.339
238 H GLU 540 H GLU 540 6.168 -3.292 -4.017
239 HA GLU 540 HA GLU 540 5.215 -1.698 -6.221
240 HB2 GLU 540 2HB GLU 540 4.980 -4.705 -6.409
241 HB3 GLU 540 1HB GLU 540 4.365 -3.529 -7.562
242 HG2 GLU 540 2HG GLU 540 6.716 -2.815 -7.976
243 HG3 GLU 540 1HG GLU 540 7.241 -4.157 -6.959
244 H GLY 541 H GLY 541 4.605 -4.146 -3.774
245 HA2 GLY 541 2HA GLY 541 1.817 -3.187 -3.583
246 HA3 GLY 541 1HA GLY 541 2.328 -4.815 -3.156
247 H ILE 542 H ILE 542 4.151 -1.949 -2.340
248 HA ILE 542 HA ILE 542 3.176 -1.982 0.409
249 HB ILE 542 HB ILE 542 6.137 -1.972 0.071
250 HG12 ILE 542 2HG1 ILE 542 6.009 -4.516 0.534
251 HG13 ILE 542 1HG1 ILE 542 4.384 -4.407 -0.136
252 HG21 ILE 542 1HG2 ILE 542 6.178 -2.577 2.304
253 HG22 ILE 542 2HG2 ILE 542 4.574 -3.307 2.243
254 HG23 ILE 542 3HG2 ILE 542 4.746 -1.552 2.216
255 HD11 ILE 542 3HD1 ILE 542 5.869 -3.093 -2.014
256 HD12 ILE 542 1HD1 ILE 542 5.381 -4.787 -2.092
257 HD13 ILE 542 2HD1 ILE 542 6.974 -4.357 -1.470
258 H TYR 543 H TYR 543 5.108 -0.549 -2.133
259 HA TYR 543 HA TYR 543 5.280 1.957 -0.687
260 HB2 TYR 543 2HB TYR 543 7.184 2.316 -1.842
261 HB3 TYR 543 1HB TYR 543 7.130 0.585 -2.086
262 HD1 TYR 543 1HD TYR 543 5.724 -0.151 -4.220
263 HD2 TYR 543 2HD TYR 543 7.541 3.655 -3.685
264 HE1 TYR 543 1HE TYR 543 5.726 0.182 -6.652
265 HE2 TYR 543 2HE TYR 543 7.552 4.002 -6.115
266 HH TYR 543 HH TYR 543 7.498 2.644 -8.172
267 H ILE 544 H ILE 544 3.941 0.516 -3.589
268 HA ILE 544 HA ILE 544 2.669 1.339 -5.309
269 HB ILE 544 HB ILE 544 1.104 2.541 -3.037
270 HG12 ILE 544 2HG1 ILE 544 -0.046 0.292 -2.990
271 HG13 ILE 544 1HG1 ILE 544 1.293 -0.329 -3.950
272 HG21 ILE 544 1HG2 ILE 544 0.057 3.157 -5.008
273 HG22 ILE 544 2HG2 ILE 544 -0.780 1.665 -4.584
274 HG23 ILE 544 3HG2 ILE 544 0.477 1.650 -5.820
275 HD11 ILE 544 3HD1 ILE 544 2.033 1.105 -1.490
276 HD12 ILE 544 1HD1 ILE 544 2.692 -0.371 -2.195
277 HD13 ILE 544 2HD1 ILE 544 1.190 -0.429 -1.274
278 H GLU 545 H GLU 545 2.277 3.969 -2.985
279 HA GLU 545 HA GLU 545 2.556 6.216 -3.126
280 HB2 GLU 545 2HB GLU 545 4.353 5.652 -5.477
281 HB3 GLU 545 1HB GLU 545 4.353 7.084 -4.453
282 HG2 GLU 545 2HG GLU 545 4.876 5.496 -2.534
283 HG3 GLU 545 1HG GLU 545 5.242 4.304 -3.779
284 H GLY 546 H GLY 546 0.382 4.999 -4.434
285 HA2 GLY 546 2HA GLY 546 -0.273 7.145 -6.300
286 HA3 GLY 546 1HA GLY 546 -0.390 5.501 -6.912
287 H LEU 547 H LEU 547 -1.105 5.781 -3.596
288 HA LEU 547 HA LEU 547 -3.901 6.397 -3.911
289 HB2 LEU 547 2HB LEU 547 -4.861 4.323 -3.582
290 HB3 LEU 547 1HB LEU 547 -3.556 3.993 -4.703
291 HG LEU 547 HG LEU 547 -3.545 3.434 -1.736
292 HD11 LEU 547 1HD1 LEU 547 -4.772 1.985 -3.642
293 HD12 LEU 547 2HD1 LEU 547 -4.035 1.285 -2.201
294 HD13 LEU 547 3HD1 LEU 547 -3.149 1.298 -3.727
295 HD21 LEU 547 3HD2 LEU 547 -1.327 3.694 -1.964
296 HD22 LEU 547 1HD2 LEU 547 -1.394 3.602 -3.724
297 HD23 LEU 547 2HD2 LEU 547 -1.404 2.124 -2.763
298 H MET 548 H MET 548 -1.192 5.844 -1.898
299 HA MET 548 HA MET 548 -2.501 5.556 0.581
300 HB2 MET 548 2HB MET 548 -0.201 6.536 1.423
301 HB3 MET 548 1HB MET 548 -0.313 4.908 0.777
302 HG2 MET 548 2HG MET 548 1.645 6.112 -0.050
303 HG3 MET 548 1HG MET 548 0.554 5.647 -1.352
304 HE1 MET 548 3HE MET 548 0.509 6.756 -3.056
305 HE2 MET 548 1HE MET 548 1.601 8.132 -3.203
306 HE3 MET 548 2HE MET 548 -0.145 8.381 -3.264
307 H HIS 549 H HIS 549 -4.122 7.322 -0.104
308 HA HIS 549 HA HIS 549 -3.234 9.840 1.134
309 HB2 HIS 549 2HB HIS 549 -5.434 10.187 -0.751
310 HB3 HIS 549 1HB HIS 549 -3.943 11.102 -0.586
311 HD1 HIS 549 1HD HIS 549 -5.577 9.634 -3.153
312 HD2 HIS 549 2HD HIS 549 -1.772 8.969 -1.626
313 HE1 HIS 549 1HE HIS 549 -4.275 8.588 -5.030
314 HE2 HIS 549 2HE HIS 549 -1.949 8.276 -4.112
315 H ASN 550 H ASN 550 -4.502 7.557 2.349
316 HA ASN 550 HA ASN 550 -6.186 7.043 3.790
317 HB2 ASN 550 2HB ASN 550 -6.559 10.042 3.700
318 HB3 ASN 550 1HB ASN 550 -7.394 8.979 4.828
319 HD21 ASN 550 1HD2 ASN 550 -5.023 11.095 4.715
320 HD22 ASN 550 2HD2 ASN 550 -3.920 10.432 5.867
321 H GLN 551 H GLN 551 -7.329 5.854 2.224
322 HA GLN 551 HA GLN 551 -9.646 7.235 1.065
323 HB2 GLN 551 2HB GLN 551 -9.233 4.630 -0.087
324 HB3 GLN 551 1HB GLN 551 -9.283 6.197 -0.873
325 HG2 GLN 551 2HG GLN 551 -7.152 5.899 -1.382
326 HG3 GLN 551 1HG GLN 551 -6.780 6.126 0.323
327 HE21 GLN 551 1HE2 GLN 551 -7.117 4.054 1.652
328 HE22 GLN 551 2HE2 GLN 551 -6.476 2.608 0.963
329 H ASP 552 H ASP 552 -9.022 3.829 1.642
330 HA ASP 552 HA ASP 552 -10.124 2.230 2.825
331 HB2 ASP 552 2HB ASP 552 -10.542 4.647 4.378
332 HB3 ASP 552 1HB ASP 552 -11.918 3.557 4.512
333 H GLY 553 H GLY 553 -11.359 3.970 0.510
334 HA2 GLY 553 2HA GLY 553 -14.083 2.855 0.773
335 HA3 GLY 553 1HA GLY 553 -13.720 4.342 -0.095
336 H LEU 554 H LEU 554 -11.301 3.289 -1.304
337 HA LEU 554 HA LEU 554 -12.522 1.955 -3.555
338 HB2 LEU 554 2HB LEU 554 -10.283 2.174 -4.570
339 HB3 LEU 554 1HB LEU 554 -10.939 3.697 -4.003
340 HG LEU 554 HG LEU 554 -9.445 2.825 -1.835
341 HD11 LEU 554 1HD1 LEU 554 -7.646 2.464 -4.192
342 HD12 LEU 554 2HD1 LEU 554 -8.583 1.096 -3.590
343 HD13 LEU 554 3HD1 LEU 554 -7.445 1.923 -2.526
344 HD21 LEU 554 3HD2 LEU 554 -7.800 4.558 -2.691
345 HD22 LEU 554 1HD2 LEU 554 -9.468 5.092 -2.488
346 HD23 LEU 554 2HD2 LEU 554 -8.851 4.720 -4.097
347 H ILE 555 H ILE 555 -11.391 0.864 -0.689
348 HA ILE 555 HA ILE 555 -10.824 -1.785 -1.772
349 HB ILE 555 HB ILE 555 -8.943 -2.085 -0.209
350 HG12 ILE 555 2HG1 ILE 555 -9.591 -0.336 1.420
351 HG13 ILE 555 1HG1 ILE 555 -7.927 -0.179 0.896
352 HG21 ILE 555 1HG2 ILE 555 -7.544 -1.510 -1.832
353 HG22 ILE 555 2HG2 ILE 555 -7.884 0.208 -1.613
354 HG23 ILE 555 3HG2 ILE 555 -8.925 -0.774 -2.645
355 HD11 ILE 555 3HD1 ILE 555 -9.215 1.420 -0.874
356 HD12 ILE 555 1HD1 ILE 555 -8.410 1.958 0.596
357 HD13 ILE 555 2HD1 ILE 555 -10.147 1.662 0.602
358 H CYS 556 H CYS 556 -11.457 0.245 1.036
359 HA CYS 556 HA CYS 556 -12.652 -2.061 2.395
360 HB2 CYS 556 2HB CYS 556 -10.737 -0.289 3.298
361 HB3 CYS 556 1HB CYS 556 -12.217 0.346 4.008
362 H GLY 557 H GLY 557 -14.335 -1.164 0.566
363 HA2 GLY 557 2HA GLY 557 -16.707 -0.676 1.661
364 HA3 GLY 557 1HA GLY 557 -16.013 0.935 1.708
365 H LEU 558 H LEU 558 -15.695 -1.528 -0.830
366 HA LEU 558 HA LEU 558 -17.186 0.270 -2.622
367 HB2 LEU 558 2HB LEU 558 -15.688 -0.245 -4.433
368 HB3 LEU 558 1HB LEU 558 -14.771 0.386 -3.081
369 HG LEU 558 HG LEU 558 -15.005 -2.563 -3.644
370 HD11 LEU 558 1HD1 LEU 558 -12.820 -0.682 -4.522
371 HD12 LEU 558 2HD1 LEU 558 -14.017 -1.424 -5.583
372 HD13 LEU 558 3HD1 LEU 558 -12.846 -2.433 -4.735
373 HD21 LEU 558 3HD2 LEU 558 -12.645 -2.167 -2.403
374 HD22 LEU 558 1HD2 LEU 558 -14.147 -2.541 -1.562
375 HD23 LEU 558 2HD2 LEU 558 -13.601 -0.869 -1.688
376 H ARG 559 H ARG 559 -16.178 -3.048 -1.951
377 HA ARG 559 HA ARG 559 -18.700 -4.134 -2.504
378 HB2 ARG 559 2HB ARG 559 -18.371 -5.266 -4.585
379 HB3 ARG 559 1HB ARG 559 -17.976 -3.574 -4.849
380 HG2 ARG 559 2HG ARG 559 -15.640 -5.044 -4.040
381 HG3 ARG 559 1HG ARG 559 -16.400 -5.798 -5.444
382 HD2 ARG 559 2HD ARG 559 -16.363 -2.958 -5.788
383 HD3 ARG 559 1HD ARG 559 -14.747 -3.517 -5.361
384 HE ARG 559 HE ARG 559 -14.594 -4.537 -7.404
385 HH11 ARG 559 1HH1 ARG 559 -17.933 -3.718 -6.804
386 HH12 ARG 559 2HH1 ARG 559 -18.452 -4.134 -8.402
387 HH21 ARG 559 1HH2 ARG 559 -15.275 -5.085 -9.506
388 HH22 ARG 559 2HH2 ARG 559 -16.944 -4.912 -9.936
389 H GLN 560 H GLN 560 -16.667 -4.264 -0.569
390 HA GLN 560 HA GLN 560 -15.843 -7.076 -0.702
391 HB2 GLN 560 2HB GLN 560 -14.235 -6.316 1.161
392 HB3 GLN 560 1HB GLN 560 -13.894 -5.825 -0.490
393 HG2 GLN 560 2HG GLN 560 -13.566 -4.037 1.201
394 HG3 GLN 560 1HG GLN 560 -14.687 -3.625 -0.094
395 HE21 GLN 560 1HE2 GLN 560 -16.497 -2.704 0.503
396 HE22 GLN 560 2HE2 GLN 560 -17.240 -2.822 2.059
Start of MODEL 20
1 H1 ALA 507 1HT ALA 507 -14.208 -13.761 -0.834
2 H2 ALA 507 2HT ALA 507 -14.779 -15.224 -0.143
3 H3 ALA 507 3HT ALA 507 -13.732 -14.200 0.753
4 HA ALA 507 HA ALA 507 -16.396 -13.407 -0.195
5 HB1 ALA 507 1HB ALA 507 -16.555 -15.318 1.343
6 HB2 ALA 507 2HB ALA 507 -17.206 -13.838 2.047
7 HB3 ALA 507 3HB ALA 507 -15.614 -14.420 2.535
8 H GLN 508 H GLN 508 -16.290 -11.277 -0.386
9 HA GLN 508 HA GLN 508 -16.217 -9.103 0.322
10 HB2 GLN 508 2HB GLN 508 -14.553 -9.927 2.698
11 HB3 GLN 508 1HB GLN 508 -15.472 -8.443 2.481
12 HG2 GLN 508 2HG GLN 508 -17.070 -10.892 2.326
13 HG3 GLN 508 1HG GLN 508 -16.312 -10.603 3.891
14 HE21 GLN 508 1HE2 GLN 508 -17.464 -8.223 1.560
15 HE22 GLN 508 2HE2 GLN 508 -18.677 -7.540 2.583
16 HA PRO 509 HA PRO 509 -11.984 -9.312 -1.563
17 HB2 PRO 509 2HB PRO 509 -13.295 -8.083 -3.866
18 HB3 PRO 509 1HB PRO 509 -12.376 -9.585 -3.795
19 HG2 PRO 509 2HG PRO 509 -15.041 -9.538 -4.202
20 HG3 PRO 509 1HG PRO 509 -14.245 -10.844 -3.302
21 HD2 PRO 509 2HD PRO 509 -15.715 -8.442 -2.247
22 HD3 PRO 509 1HD PRO 509 -15.818 -10.139 -1.730
23 H LYS 510 H LYS 510 -12.108 -7.619 0.260
24 HA LYS 510 HA LYS 510 -11.651 -4.994 -0.951
25 HB2 LYS 510 2HB LYS 510 -13.508 -5.564 1.351
26 HB3 LYS 510 1HB LYS 510 -12.975 -3.954 0.894
27 HG2 LYS 510 2HG LYS 510 -14.905 -3.970 -0.272
28 HG3 LYS 510 1HG LYS 510 -13.909 -4.796 -1.472
29 HD2 LYS 510 2HD LYS 510 -14.642 -6.965 -0.525
30 HD3 LYS 510 1HD LYS 510 -15.701 -6.096 0.580
31 HE2 LYS 510 2HE LYS 510 -16.699 -5.035 -1.534
32 HE3 LYS 510 1HE LYS 510 -15.878 -6.331 -2.404
33 HZ1 LYS 510 3HZ LYS 510 -17.992 -6.598 -0.342
34 HZ2 LYS 510 1HZ LYS 510 -17.071 -7.905 -0.893
35 HZ3 LYS 510 2HZ LYS 510 -18.067 -7.062 -1.967
36 H CYS 511 H CYS 511 -11.081 -3.481 1.159
37 HA CYS 511 HA CYS 511 -9.246 -2.932 2.411
38 HB2 CYS 511 2HB CYS 511 -10.788 -5.010 3.747
39 HB3 CYS 511 1HB CYS 511 -9.114 -4.974 4.289
40 H ASN 512 H ASN 512 -8.101 -3.698 0.318
41 HA ASN 512 HA ASN 512 -6.417 -6.015 0.716
42 HB2 ASN 512 2HB ASN 512 -6.410 -4.109 -1.619
43 HB3 ASN 512 1HB ASN 512 -5.696 -5.714 -1.556
44 HD21 ASN 512 1HD2 ASN 512 -8.793 -4.012 -1.303
45 HD22 ASN 512 2HD2 ASN 512 -9.745 -5.291 -1.962
46 HA PRO 513 HA PRO 513 -3.122 -2.664 1.060
47 HB2 PRO 513 2HB PRO 513 -3.672 -0.175 0.183
48 HB3 PRO 513 1HB PRO 513 -3.338 -1.515 -0.916
49 HG2 PRO 513 2HG PRO 513 -5.844 -0.110 -0.499
50 HG3 PRO 513 1HG PRO 513 -5.435 -1.310 -1.733
51 HD2 PRO 513 2HD PRO 513 -6.812 -1.672 0.847
52 HD3 PRO 513 1HD PRO 513 -6.840 -2.689 -0.607
53 H ASN 514 H ASN 514 -5.697 -2.676 2.822
54 HA ASN 514 HA ASN 514 -4.984 -0.353 4.484
55 HB2 ASN 514 2HB ASN 514 -7.582 -1.487 3.673
56 HB3 ASN 514 1HB ASN 514 -7.453 -1.135 5.393
57 HD21 ASN 514 1HD2 ASN 514 -7.292 0.234 2.167
58 HD22 ASN 514 2HD2 ASN 514 -7.567 1.868 2.650
59 H LEU 515 H LEU 515 -3.425 -2.490 4.663
60 HA LEU 515 HA LEU 515 -4.367 -4.125 6.893
61 HB2 LEU 515 2HB LEU 515 -1.719 -4.573 5.633
62 HB3 LEU 515 1HB LEU 515 -2.871 -5.735 6.252
63 HG LEU 515 HG LEU 515 -2.904 -6.155 3.980
64 HD11 LEU 515 1HD1 LEU 515 -5.029 -4.098 3.809
65 HD12 LEU 515 2HD1 LEU 515 -5.177 -5.324 5.068
66 HD13 LEU 515 3HD1 LEU 515 -5.062 -5.808 3.376
67 HD21 LEU 515 3HD2 LEU 515 -2.114 -4.759 2.435
68 HD22 LEU 515 1HD2 LEU 515 -1.785 -3.628 3.748
69 HD23 LEU 515 2HD2 LEU 515 -3.297 -3.520 2.849
70 H HIS 516 H HIS 516 -1.418 -2.328 5.955
71 HA HIS 516 HA HIS 516 -1.181 -1.012 8.427
72 HB2 HIS 516 2HB HIS 516 0.292 -2.258 9.674
73 HB3 HIS 516 1HB HIS 516 -0.626 -3.547 8.901
74 HD1 HIS 516 1HD HIS 516 0.590 -4.976 7.148
75 HD2 HIS 516 2HD HIS 516 2.899 -1.918 8.734
76 HE1 HIS 516 1HE HIS 516 2.909 -5.380 6.279
77 HE2 HIS 516 2HE HIS 516 4.333 -3.623 7.405
78 H TYR 517 H TYR 517 0.992 -2.527 6.026
79 HA TYR 517 HA TYR 517 2.943 -0.569 6.040
80 HB2 TYR 517 2HB TYR 517 2.930 -1.491 3.393
81 HB3 TYR 517 1HB TYR 517 3.966 -2.005 4.706
82 HD1 TYR 517 2HD TYR 517 0.310 -2.806 4.400
83 HD2 TYR 517 1HD TYR 517 4.319 -4.207 4.063
84 HE1 TYR 517 2HE TYR 517 -0.511 -5.106 4.157
85 HE2 TYR 517 1HE TYR 517 3.496 -6.506 3.802
86 HH TYR 517 HH TYR 517 1.257 -7.758 4.574
87 H TRP 518 H TRP 518 -0.178 -0.354 4.621
88 HA TRP 518 HA TRP 518 0.724 2.037 3.155
89 HB2 TRP 518 2HB TRP 518 -1.837 0.759 2.375
90 HB3 TRP 518 1HB TRP 518 -0.635 1.554 1.389
91 HD1 TRP 518 HD TRP 518 0.735 -1.293 3.425
92 HE1 TRP 518 1HE TRP 518 1.173 -3.275 1.933
93 HE3 TRP 518 3HE TRP 518 -1.623 0.360 -0.787
94 HZ2 TRP 518 2HZ TRP 518 0.572 -4.108 -0.703
95 HZ3 TRP 518 3HZ TRP 518 -1.643 -1.106 -2.764
96 HH2 TRP 518 HH TRP 518 -0.561 -3.294 -2.723
97 H THR 519 H THR 519 -1.554 0.720 5.390
98 HA THR 519 HA THR 519 -3.321 2.977 5.396
99 HB THR 519 HB THR 519 -4.292 0.919 6.038
100 HG1 THR 519 1HG THR 519 -3.816 2.253 8.490
101 HG21 THR 519 3HG2 THR 519 -3.081 0.195 8.464
102 HG22 THR 519 1HG2 THR 519 -1.779 0.410 7.292
103 HG23 THR 519 2HG2 THR 519 -3.106 -0.701 6.946
104 H THR 520 H THR 520 -0.334 2.219 6.885
105 HA THR 520 HA THR 520 -0.700 4.270 8.947
106 HB THR 520 HB THR 520 1.017 1.894 8.649
107 HG1 THR 520 1HG THR 520 -0.058 1.626 10.413
108 HG21 THR 520 3HG2 THR 520 2.165 4.449 9.695
109 HG22 THR 520 1HG2 THR 520 2.912 3.233 8.659
110 HG23 THR 520 2HG2 THR 520 2.647 2.893 10.371
111 H GLN 521 H GLN 521 2.046 3.317 6.919
112 HA GLN 521 HA GLN 521 2.713 6.144 6.612
113 HB2 GLN 521 2HB GLN 521 4.940 5.454 6.152
114 HB3 GLN 521 1HB GLN 521 4.390 4.495 7.516
115 HG2 GLN 521 2HG GLN 521 4.391 2.553 6.343
116 HG3 GLN 521 1HG GLN 521 4.078 3.345 4.806
117 HE21 GLN 521 1HE2 GLN 521 6.052 5.146 4.543
118 HE22 GLN 521 2HE2 GLN 521 7.596 4.377 4.530
119 H ASP 522 H ASP 522 4.333 5.855 4.343
120 HA ASP 522 HA ASP 522 2.274 5.778 2.273
121 HB2 ASP 522 2HB ASP 522 5.082 6.863 2.279
122 HB3 ASP 522 1HB ASP 522 4.007 6.910 0.887
123 H GLU 523 H GLU 523 3.395 3.341 3.374
124 HA GLU 523 HA GLU 523 4.074 1.282 2.677
125 HB2 GLU 523 2HB GLU 523 3.898 2.383 -0.125
126 HB3 GLU 523 1HB GLU 523 3.766 0.702 0.376
127 HG2 GLU 523 2HG GLU 523 1.640 0.979 1.225
128 HG3 GLU 523 1HG GLU 523 1.833 2.722 1.405
129 H GLY 524 H GLY 524 5.921 3.766 2.819
130 HA2 GLY 524 2HA GLY 524 8.313 3.340 3.114
131 HA3 GLY 524 1HA GLY 524 8.252 2.416 1.620
132 H ALA 525 H ALA 525 6.445 5.362 1.806
133 HA ALA 525 HA ALA 525 8.273 6.524 -0.143
134 HB1 ALA 525 1HB ALA 525 5.603 6.296 -0.257
135 HB2 ALA 525 2HB ALA 525 6.518 7.538 -1.110
136 HB3 ALA 525 3HB ALA 525 5.747 7.913 0.432
137 H ALA 526 H ALA 526 7.836 6.707 3.124
138 HA ALA 526 HA ALA 526 8.220 9.529 3.387
139 HB1 ALA 526 1HB ALA 526 6.986 8.835 5.173
140 HB2 ALA 526 2HB ALA 526 8.601 8.722 5.873
141 HB3 ALA 526 3HB ALA 526 7.802 7.274 5.261
142 H ILE 527 H ILE 527 10.213 7.737 2.021
143 HA ILE 527 HA ILE 527 12.569 8.600 3.534
144 HB ILE 527 HB ILE 527 13.401 6.356 2.170
145 HG12 ILE 527 2HG1 ILE 527 10.912 5.890 1.841
146 HG13 ILE 527 1HG1 ILE 527 11.877 4.585 2.517
147 HG21 ILE 527 1HG2 ILE 527 12.601 6.719 5.045
148 HG22 ILE 527 2HG2 ILE 527 14.205 6.914 4.335
149 HG23 ILE 527 3HG2 ILE 527 13.478 5.311 4.447
150 HD11 ILE 527 3HD1 ILE 527 10.813 6.215 4.619
151 HD12 ILE 527 1HD1 ILE 527 10.576 4.496 4.302
152 HD13 ILE 527 2HD1 ILE 527 9.526 5.688 3.535
153 H GLY 528 H GLY 528 11.683 7.122 0.389
154 HA2 GLY 528 2HA GLY 528 12.068 9.036 -1.400
155 HA3 GLY 528 1HA GLY 528 13.731 8.750 -0.908
156 H LEU 529 H LEU 529 12.957 5.843 -0.469
157 HA LEU 529 HA LEU 529 12.867 3.870 -1.604
158 HB2 LEU 529 2HB LEU 529 11.986 5.667 -3.828
159 HB3 LEU 529 1HB LEU 529 12.196 3.946 -4.053
160 HG LEU 529 HG LEU 529 10.439 3.461 -2.491
161 HD11 LEU 529 1HD1 LEU 529 10.473 6.422 -1.953
162 HD12 LEU 529 2HD1 LEU 529 10.801 5.114 -0.818
163 HD13 LEU 529 3HD1 LEU 529 9.169 5.349 -1.444
164 HD21 LEU 529 3HD2 LEU 529 8.553 4.419 -3.640
165 HD22 LEU 529 1HD2 LEU 529 9.820 4.063 -4.811
166 HD23 LEU 529 2HD2 LEU 529 9.554 5.722 -4.277
167 H ALA 530 H ALA 530 14.807 6.463 -2.663
168 HA ALA 530 HA ALA 530 16.421 4.873 -4.414
169 HB1 ALA 530 1HB ALA 530 17.984 6.990 -4.068
170 HB2 ALA 530 2HB ALA 530 16.477 7.687 -3.470
171 HB3 ALA 530 3HB ALA 530 16.561 7.041 -5.110
172 H TRP 531 H TRP 531 16.345 5.625 -1.085
173 HA TRP 531 HA TRP 531 19.017 5.097 -0.351
174 HB2 TRP 531 2HB TRP 531 18.069 4.842 1.926
175 HB3 TRP 531 1HB TRP 531 17.430 6.271 1.121
176 HD1 TRP 531 HD TRP 531 14.967 5.688 -0.230
177 HE1 TRP 531 1HE TRP 531 12.964 4.469 0.755
178 HE3 TRP 531 3HE TRP 531 17.308 3.286 3.624
179 HZ2 TRP 531 2HZ TRP 531 12.406 2.713 2.913
180 HZ3 TRP 531 3HZ TRP 531 15.963 1.859 5.110
181 HH2 TRP 531 HH TRP 531 13.562 1.579 4.760
182 H ILE 532 H ILE 532 16.420 3.129 -1.345
183 HA ILE 532 HA ILE 532 17.828 0.708 -0.474
184 HB ILE 532 HB ILE 532 15.520 -0.346 -0.562
185 HG12 ILE 532 2HG1 ILE 532 14.800 2.576 -0.720
186 HG13 ILE 532 1HG1 ILE 532 14.213 1.256 -1.721
187 HG21 ILE 532 1HG2 ILE 532 16.316 1.709 1.475
188 HG22 ILE 532 2HG2 ILE 532 16.594 -0.033 1.525
189 HG23 ILE 532 3HG2 ILE 532 14.963 0.605 1.722
190 HD11 ILE 532 3HD1 ILE 532 12.503 0.899 -0.359
191 HD12 ILE 532 1HD1 ILE 532 12.944 2.399 0.450
192 HD13 ILE 532 2HD1 ILE 532 13.545 0.858 1.060
193 HA PRO 533 HA PRO 533 17.810 -0.112 -4.849
194 HB2 PRO 533 2HB PRO 533 19.219 -2.373 -4.833
195 HB3 PRO 533 1HB PRO 533 19.957 -0.834 -4.377
196 HG2 PRO 533 2HG PRO 533 19.019 -3.072 -2.644
197 HG3 PRO 533 1HG PRO 533 20.432 -2.022 -2.455
198 HD2 PRO 533 2HD PRO 533 17.981 -1.725 -1.142
199 HD3 PRO 533 1HD PRO 533 19.244 -0.487 -1.276
200 H TYR 534 H TYR 534 16.343 -2.245 -2.514
201 HA TYR 534 HA TYR 534 14.756 -3.402 -4.689
202 HB2 TYR 534 2HB TYR 534 14.863 -5.630 -3.575
203 HB3 TYR 534 1HB TYR 534 16.401 -5.084 -4.237
204 HD1 TYR 534 2HD TYR 534 14.469 -5.386 -1.082
205 HD2 TYR 534 1HD TYR 534 18.300 -4.895 -2.865
206 HE1 TYR 534 2HE TYR 534 15.526 -5.732 1.111
207 HE2 TYR 534 1HE TYR 534 19.369 -5.239 -0.676
208 HH TYR 534 HH TYR 534 18.893 -6.239 1.469
209 H PHE 535 H PHE 535 14.935 -2.405 -1.347
210 HA PHE 535 HA PHE 535 12.537 -3.501 -0.429
211 HB2 PHE 535 2HB PHE 535 13.851 -0.900 0.352
212 HB3 PHE 535 1HB PHE 535 12.549 -1.665 1.248
213 HD1 PHE 535 2HD PHE 535 12.952 -3.763 2.460
214 HD2 PHE 535 1HD PHE 535 16.094 -1.665 0.508
215 HE1 PHE 535 2HE PHE 535 14.608 -5.029 3.766
216 HE2 PHE 535 1HE PHE 535 17.750 -2.917 1.809
217 HZ PHE 535 HZ PHE 535 17.013 -4.606 3.441
218 H GLY 536 H GLY 536 13.146 -0.417 -2.075
219 HA2 GLY 536 2HA GLY 536 10.229 -0.017 -2.232
220 HA3 GLY 536 1HA GLY 536 11.425 1.264 -2.341
221 HA PRO 537 HA PRO 537 11.806 1.161 -6.725
222 HB2 PRO 537 2HB PRO 537 14.372 -0.354 -6.627
223 HB3 PRO 537 1HB PRO 537 13.988 1.157 -7.461
224 HG2 PRO 537 2HG PRO 537 15.417 1.173 -5.217
225 HG3 PRO 537 1HG PRO 537 14.211 2.434 -5.528
226 HD2 PRO 537 2HD PRO 537 14.073 0.083 -3.698
227 HD3 PRO 537 1HD PRO 537 13.396 1.713 -3.499
228 H ALA 538 H ALA 538 12.905 -1.910 -5.313
229 HA ALA 538 HA ALA 538 11.943 -3.433 -7.576
230 HB1 ALA 538 1HB ALA 538 12.943 -4.439 -4.914
231 HB2 ALA 538 2HB ALA 538 13.960 -4.117 -6.318
232 HB3 ALA 538 3HB ALA 538 12.733 -5.381 -6.389
233 H ALA 539 H ALA 539 10.848 -2.552 -4.378
234 HA ALA 539 HA ALA 539 8.877 -4.397 -3.846
235 HB1 ALA 539 1HB ALA 539 7.694 -2.089 -3.020
236 HB2 ALA 539 2HB ALA 539 9.390 -1.611 -3.113
237 HB3 ALA 539 3HB ALA 539 8.912 -2.983 -2.113
238 H GLU 540 H GLU 540 6.535 -4.267 -4.116
239 HA GLU 540 HA GLU 540 5.552 -2.702 -6.361
240 HB2 GLU 540 2HB GLU 540 5.267 -5.708 -6.374
241 HB3 GLU 540 1HB GLU 540 4.739 -4.585 -7.619
242 HG2 GLU 540 2HG GLU 540 7.105 -3.990 -8.025
243 HG3 GLU 540 1HG GLU 540 7.579 -5.223 -6.856
244 H GLY 541 H GLY 541 4.855 -5.196 -3.953
245 HA2 GLY 541 2HA GLY 541 2.121 -4.116 -3.711
246 HA3 GLY 541 1HA GLY 541 2.590 -5.754 -3.277
247 H ILE 542 H ILE 542 4.650 -3.098 -2.451
248 HA ILE 542 HA ILE 542 3.605 -2.980 0.275
249 HB ILE 542 HB ILE 542 6.553 -3.251 0.027
250 HG12 ILE 542 2HG1 ILE 542 6.195 -5.779 0.378
251 HG13 ILE 542 1HG1 ILE 542 4.597 -5.503 -0.318
252 HG21 ILE 542 1HG2 ILE 542 4.458 -3.532 2.073
253 HG22 ILE 542 2HG2 ILE 542 6.126 -2.978 2.222
254 HG23 ILE 542 3HG2 ILE 542 5.770 -4.705 2.178
255 HD11 ILE 542 3HD1 ILE 542 6.259 -4.215 -2.081
256 HD12 ILE 542 1HD1 ILE 542 5.590 -5.838 -2.286
257 HD13 ILE 542 2HD1 ILE 542 7.204 -5.632 -1.605
258 H TYR 543 H TYR 543 4.841 -1.393 -2.408
259 HA TYR 543 HA TYR 543 5.497 0.911 -0.783
260 HB2 TYR 543 2HB TYR 543 7.466 1.203 -1.827
261 HB3 TYR 543 1HB TYR 543 7.339 -0.515 -2.097
262 HD1 TYR 543 2HD TYR 543 6.279 -1.269 -4.317
263 HD2 TYR 543 1HD TYR 543 7.747 2.659 -3.619
264 HE1 TYR 543 2HE TYR 543 6.439 -0.904 -6.740
265 HE2 TYR 543 1HE TYR 543 7.920 3.038 -6.037
266 HH TYR 543 HH TYR 543 8.154 1.643 -8.110
267 H ILE 544 H ILE 544 4.387 -0.258 -3.917
268 HA ILE 544 HA ILE 544 3.277 0.735 -5.648
269 HB ILE 544 HB ILE 544 1.530 1.768 -3.431
270 HG12 ILE 544 2HG1 ILE 544 0.388 -0.559 -3.952
271 HG13 ILE 544 1HG1 ILE 544 2.031 -1.012 -4.390
272 HG21 ILE 544 1HG2 ILE 544 1.126 1.077 -6.316
273 HG22 ILE 544 2HG2 ILE 544 0.699 2.557 -5.457
274 HG23 ILE 544 3HG2 ILE 544 -0.225 1.081 -5.183
275 HD11 ILE 544 3HD1 ILE 544 1.687 -1.645 -2.137
276 HD12 ILE 544 1HD1 ILE 544 1.031 -0.063 -1.724
277 HD13 ILE 544 2HD1 ILE 544 2.738 -0.234 -2.117
278 H GLU 545 H GLU 545 2.725 3.179 -3.153
279 HA GLU 545 HA GLU 545 3.193 5.403 -3.041
280 HB2 GLU 545 2HB GLU 545 4.826 5.140 -5.550
281 HB3 GLU 545 1HB GLU 545 4.980 6.339 -4.271
282 HG2 GLU 545 2HG GLU 545 5.294 3.550 -3.434
283 HG3 GLU 545 1HG GLU 545 6.543 4.162 -4.516
284 H GLY 546 H GLY 546 0.977 4.260 -4.556
285 HA2 GLY 546 2HA GLY 546 0.358 6.653 -6.141
286 HA3 GLY 546 1HA GLY 546 0.119 5.069 -6.861
287 H LEU 547 H LEU 547 -0.509 4.827 -3.592
288 HA LEU 547 HA LEU 547 -3.275 5.744 -3.791
289 HB2 LEU 547 2HB LEU 547 -4.311 3.667 -3.454
290 HB3 LEU 547 1HB LEU 547 -3.157 3.433 -4.753
291 HG LEU 547 HG LEU 547 -2.769 2.591 -1.880
292 HD11 LEU 547 1HD1 LEU 547 -3.165 0.902 -4.343
293 HD12 LEU 547 2HD1 LEU 547 -4.430 1.271 -3.171
294 HD13 LEU 547 3HD1 LEU 547 -3.013 0.343 -2.678
295 HD21 LEU 547 3HD2 LEU 547 -0.952 2.790 -4.192
296 HD22 LEU 547 1HD2 LEU 547 -0.877 1.284 -3.276
297 HD23 LEU 547 2HD2 LEU 547 -0.602 2.826 -2.464
298 H MET 548 H MET 548 -0.589 4.900 -1.853
299 HA MET 548 HA MET 548 -1.926 4.582 0.619
300 HB2 MET 548 2HB MET 548 0.455 5.279 1.513
301 HB3 MET 548 1HB MET 548 0.177 3.707 0.788
302 HG2 MET 548 2HG MET 548 2.238 4.612 -0.025
303 HG3 MET 548 1HG MET 548 1.081 4.565 -1.346
304 HE1 MET 548 3HE MET 548 0.942 5.972 -2.829
305 HE2 MET 548 1HE MET 548 2.267 7.129 -2.955
306 HE3 MET 548 2HE MET 548 0.624 7.700 -2.672
307 H HIS 549 H HIS 549 -3.374 6.515 0.090
308 HA HIS 549 HA HIS 549 -2.270 8.840 1.507
309 HB2 HIS 549 2HB HIS 549 -4.307 9.625 -0.406
310 HB3 HIS 549 1HB HIS 549 -2.695 10.281 -0.159
311 HD1 HIS 549 1HD HIS 549 -4.542 9.106 -2.798
312 HD2 HIS 549 2HD HIS 549 -0.796 8.053 -1.350
313 HE1 HIS 549 1HE HIS 549 -3.358 8.019 -4.731
314 HE2 HIS 549 2HE HIS 549 -1.040 7.534 -3.871
315 H ASN 550 H ASN 550 -3.795 6.671 2.539
316 HA ASN 550 HA ASN 550 -5.594 6.246 3.869
317 HB2 ASN 550 2HB ASN 550 -4.976 9.034 4.199
318 HB3 ASN 550 1HB ASN 550 -6.718 8.805 4.309
319 HD21 ASN 550 1HD2 ASN 550 -7.471 8.335 6.236
320 HD22 ASN 550 2HD2 ASN 550 -6.586 7.608 7.530
321 H GLN 551 H GLN 551 -6.884 5.189 2.409
322 HA GLN 551 HA GLN 551 -8.965 6.816 1.123
323 HB2 GLN 551 2HB GLN 551 -8.726 4.262 -0.157
324 HB3 GLN 551 1HB GLN 551 -8.556 5.864 -0.851
325 HG2 GLN 551 2HG GLN 551 -6.449 5.328 -1.266
326 HG3 GLN 551 1HG GLN 551 -6.154 5.471 0.463
327 HE21 GLN 551 1HE2 GLN 551 -6.619 3.462 1.738
328 HE22 GLN 551 2HE2 GLN 551 -6.171 1.953 1.032
329 H ASP 552 H ASP 552 -8.590 3.356 1.585
330 HA ASP 552 HA ASP 552 -9.908 1.776 2.559
331 HB2 ASP 552 2HB ASP 552 -9.601 3.513 4.509
332 HB3 ASP 552 1HB ASP 552 -11.301 3.855 4.207
333 H GLY 553 H GLY 553 -10.846 3.669 0.326
334 HA2 GLY 553 2HA GLY 553 -13.695 2.908 0.459
335 HA3 GLY 553 1HA GLY 553 -13.155 4.425 -0.245
336 H LEU 554 H LEU 554 -10.815 3.232 -1.483
337 HA LEU 554 HA LEU 554 -12.110 2.175 -3.864
338 HB2 LEU 554 2HB LEU 554 -9.926 2.502 -4.905
339 HB3 LEU 554 1HB LEU 554 -10.490 3.959 -4.113
340 HG LEU 554 HG LEU 554 -8.979 2.826 -2.131
341 HD11 LEU 554 1HD1 LEU 554 -7.276 2.463 -4.555
342 HD12 LEU 554 2HD1 LEU 554 -8.322 1.147 -4.020
343 HD13 LEU 554 3HD1 LEU 554 -7.090 1.792 -2.935
344 HD21 LEU 554 3HD2 LEU 554 -8.841 5.133 -2.675
345 HD22 LEU 554 1HD2 LEU 554 -8.228 4.786 -4.292
346 HD23 LEU 554 2HD2 LEU 554 -7.222 4.466 -2.879
347 H ILE 555 H ILE 555 -11.244 0.771 -1.153
348 HA ILE 555 HA ILE 555 -10.549 -1.750 -2.420
349 HB ILE 555 HB ILE 555 -8.783 -2.181 -0.712
350 HG12 ILE 555 2HG1 ILE 555 -9.428 -0.482 0.941
351 HG13 ILE 555 1HG1 ILE 555 -7.761 -0.286 0.452
352 HG21 ILE 555 1HG2 ILE 555 -8.582 -0.819 -3.113
353 HG22 ILE 555 2HG2 ILE 555 -7.277 -1.616 -2.237
354 HG23 ILE 555 3HG2 ILE 555 -7.577 0.107 -1.998
355 HD11 ILE 555 3HD1 ILE 555 -8.287 1.857 0.254
356 HD12 ILE 555 1HD1 ILE 555 -10.014 1.527 0.146
357 HD13 ILE 555 2HD1 ILE 555 -8.994 1.367 -1.282
358 H CYS 556 H CYS 556 -11.198 0.040 0.536
359 HA CYS 556 HA CYS 556 -12.752 -2.236 1.548
360 HB2 CYS 556 2HB CYS 556 -10.604 -1.149 2.782
361 HB3 CYS 556 1HB CYS 556 -11.869 -0.102 3.418
362 H GLY 557 H GLY 557 -13.942 -0.647 -0.267
363 HA2 GLY 557 2HA GLY 557 -16.012 0.640 1.329
364 HA3 GLY 557 1HA GLY 557 -15.135 1.694 0.239
365 H LEU 558 H LEU 558 -14.833 -0.273 -1.870
366 HA LEU 558 HA LEU 558 -16.777 0.264 -3.601
367 HB2 LEU 558 2HB LEU 558 -16.510 -2.247 -4.383
368 HB3 LEU 558 1HB LEU 558 -15.231 -1.069 -4.592
369 HG LEU 558 HG LEU 558 -15.213 -2.680 -2.089
370 HD11 LEU 558 1HD1 LEU 558 -15.365 -3.922 -4.636
371 HD12 LEU 558 2HD1 LEU 558 -15.063 -4.662 -3.065
372 HD13 LEU 558 3HD1 LEU 558 -13.713 -4.091 -4.044
373 HD21 LEU 558 3HD2 LEU 558 -13.388 -1.065 -3.674
374 HD22 LEU 558 1HD2 LEU 558 -12.699 -2.625 -3.225
375 HD23 LEU 558 2HD2 LEU 558 -13.303 -1.536 -1.976
376 H ARG 559 H ARG 559 -17.026 -2.445 -1.305
377 HA ARG 559 HA ARG 559 -19.737 -2.062 -0.773
378 HB2 ARG 559 2HB ARG 559 -20.789 -3.875 -1.991
379 HB3 ARG 559 1HB ARG 559 -19.998 -2.796 -3.135
380 HG2 ARG 559 2HG ARG 559 -18.576 -5.196 -2.088
381 HG3 ARG 559 1HG ARG 559 -19.727 -5.345 -3.420
382 HD2 ARG 559 2HD ARG 559 -18.369 -3.391 -4.459
383 HD3 ARG 559 1HD ARG 559 -17.127 -3.872 -3.304
384 HE ARG 559 HE ARG 559 -16.697 -5.716 -4.589
385 HH11 ARG 559 1HH1 ARG 559 -19.771 -4.369 -5.548
386 HH12 ARG 559 2HH1 ARG 559 -19.942 -5.413 -6.919
387 HH21 ARG 559 1HH2 ARG 559 -16.921 -7.091 -6.392
388 HH22 ARG 559 2HH2 ARG 559 -18.326 -6.960 -7.397
389 H GLN 560 H GLN 560 -17.248 -2.753 0.441
390 HA GLN 560 HA GLN 560 -17.262 -5.444 1.333
391 HB2 GLN 560 2HB GLN 560 -15.853 -4.278 3.285
392 HB3 GLN 560 1HB GLN 560 -15.180 -4.620 1.708
393 HG2 GLN 560 2HG GLN 560 -14.579 -2.393 2.500
394 HG3 GLN 560 1HG GLN 560 -15.528 -2.317 1.018
395 HE21 GLN 560 1HE2 GLN 560 -17.355 -1.154 1.013
396 HE22 GLN 560 2HE2 GLN 560 -18.063 -0.411 2.400