Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26670 | 2nsw RC | 7327 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 H ASP 1 9.859 -5.152 -7.188
2 HA ASP 1 HA ASP 1 8.107 -6.445 -7.319
3 HB2 ASP 1 1HB ASP 1 10.000 -8.011 -5.548
4 HB3 ASP 1 2HB ASP 1 8.427 -8.688 -5.917
5 H ILE 2 H ILE 2 6.094 -5.975 -6.424
6 HA ILE 2 HA ILE 2 5.938 -5.844 -3.498
7 HB ILE 2 HB ILE 2 4.402 -4.172 -3.673
8 HG12 ILE 2 1HG1 ILE 2 3.743 -5.082 -6.490
9 HG13 ILE 2 2HG1 ILE 2 2.789 -5.396 -5.054
10 HG21 ILE 2 1HG2 ILE 2 5.403 -2.501 -4.874
11 HG22 ILE 2 2HG2 ILE 2 6.705 -3.715 -4.874
12 HG23 ILE 2 3HG2 ILE 2 5.664 -3.527 -6.306
13 HD11 ILE 2 3HD1 ILE 2 3.467 -2.526 -5.483
14 HD12 ILE 2 1HD1 ILE 2 2.399 -3.246 -6.712
15 HD13 ILE 2 2HD1 ILE 2 1.925 -3.272 -4.997
16 H GLU 3 H GLU 3 4.458 -7.163 -6.494
17 HA GLU 3 HA GLU 3 2.263 -8.323 -5.361
18 HB2 GLU 3 1HB GLU 3 2.740 -8.166 -7.809
19 HB3 GLU 3 2HB GLU 3 3.972 -9.401 -7.647
20 HG2 GLU 3 1HG GLU 3 2.436 -11.111 -7.450
21 HG3 GLU 3 2HG GLU 3 1.319 -10.145 -6.508
22 H ASP 4 H ASP 4 5.680 -9.303 -5.280
23 HA ASP 4 HA ASP 4 5.157 -11.937 -4.445
24 HB2 ASP 4 1HB ASP 4 7.631 -10.170 -4.141
25 HB3 ASP 4 2HB ASP 4 7.606 -11.886 -3.789
26 H PHE 5 H PHE 5 4.876 -8.848 -2.968
27 HA PHE 5 HA PHE 5 5.105 -10.052 -0.299
28 HB2 PHE 5 1HB PHE 5 5.873 -7.382 -1.536
29 HB3 PHE 5 2HB PHE 5 5.359 -7.370 0.139
30 HD1 PHE 5 1HD PHE 5 6.679 -8.565 1.851
31 HD2 PHE 5 2HD PHE 5 8.001 -8.292 -2.172
32 HE1 PHE 5 1HE PHE 5 8.993 -9.221 2.567
33 HE2 PHE 5 2HE PHE 5 10.316 -8.948 -1.456
34 HZ PHE 5 HZ PHE 5 10.784 -9.405 0.905
35 H TYR 6 H TYR 6 2.828 -9.608 -2.437
36 HA TYR 6 HA TYR 6 1.093 -7.737 -1.138
37 HB2 TYR 6 1HB TYR 6 1.248 -8.465 -3.639
38 HB3 TYR 6 2HB TYR 6 0.569 -10.006 -3.155
39 HD1 TYR 6 2HD TYR 6 -0.473 -6.717 -1.773
40 HD2 TYR 6 1HD TYR 6 -1.444 -9.924 -4.434
41 HE1 TYR 6 2HE TYR 6 -2.818 -5.778 -2.061
42 HE2 TYR 6 1HE TYR 6 -3.786 -8.974 -4.712
43 HH TYR 6 HH TYR 6 -5.109 -7.306 -4.296
44 H THR 7 H THR 7 -0.571 -8.118 0.301
45 HA THR 7 HA THR 7 -0.906 -10.925 1.137
46 HB THR 7 HB THR 7 -0.988 -10.158 3.404
47 HG1 THR 7 1HG THR 7 -1.062 -7.670 3.603
48 HG21 THR 7 3HG2 THR 7 1.319 -9.702 2.125
49 HG22 THR 7 1HG2 THR 7 0.856 -7.998 2.349
50 HG23 THR 7 2HG2 THR 7 1.066 -9.056 3.764
51 H SER 8 H SER 8 -2.615 -11.332 -0.313
52 HA SER 8 HA SER 8 -4.809 -9.572 -0.418
53 HB2 SER 8 1HB SER 8 -4.365 -10.980 -2.324
54 HB3 SER 8 2HB SER 8 -4.364 -12.434 -1.346
55 HG SER 8 HG SER 8 -6.679 -11.969 -0.889
56 H GLU 9 H GLU 9 -3.698 -11.521 2.055
57 HA GLU 9 HA GLU 9 -6.137 -12.724 2.828
58 HB2 GLU 9 1HB GLU 9 -3.440 -12.999 3.520
59 HB3 GLU 9 2HB GLU 9 -4.148 -12.311 4.968
60 HG2 GLU 9 1HG GLU 9 -6.050 -14.205 4.314
61 HG3 GLU 9 2HG GLU 9 -4.595 -14.985 3.726
62 H THR 10 H THR 10 -4.283 -9.773 3.777
63 HA THR 10 HA THR 10 -6.566 -8.971 5.445
64 HB THR 10 HB THR 10 -4.549 -8.951 6.732
65 HG1 THR 10 1HG THR 10 -5.661 -6.894 6.810
66 HG21 THR 10 3HG2 THR 10 -2.672 -9.155 5.337
67 HG22 THR 10 1HG2 THR 10 -3.314 -8.002 4.142
68 HG23 THR 10 2HG2 THR 10 -2.612 -7.406 5.665
69 H CYS 11 H CYS 11 -4.809 -8.303 2.477
70 HA CYS 11 HA CYS 11 -5.573 -5.634 2.190
71 HB2 CYS 11 1HB CYS 11 -3.797 -6.835 0.899
72 HB3 CYS 11 2HB CYS 11 -5.058 -7.649 -0.005
73 HA PRO 12 HA PRO 12 -9.804 -6.263 1.292
74 HB2 PRO 12 1HB PRO 12 -10.455 -3.747 0.447
75 HB3 PRO 12 2HB PRO 12 -10.363 -4.196 2.139
76 HG2 PRO 12 1HG PRO 12 -8.455 -2.604 0.538
77 HG3 PRO 12 2HG PRO 12 -8.609 -2.706 2.281
78 HD2 PRO 12 1HD PRO 12 -6.614 -3.975 0.656
79 HD3 PRO 12 2HD PRO 12 -6.838 -4.170 2.383
80 H TYR 13 H TYR 13 -7.426 -5.831 -0.949
81 HA TYR 13 HA TYR 13 -9.375 -6.224 -3.119
82 HB2 TYR 13 1HB TYR 13 -6.471 -5.189 -3.080
83 HB3 TYR 13 2HB TYR 13 -7.486 -5.251 -4.507
84 HD1 TYR 13 2HD TYR 13 -9.559 -3.774 -4.605
85 HD2 TYR 13 1HD TYR 13 -6.544 -3.330 -1.602
86 HE1 TYR 13 2HE TYR 13 -10.389 -1.423 -4.108
87 HE2 TYR 13 1HE TYR 13 -7.384 -0.981 -1.115
88 HH TYR 13 HH TYR 13 -9.979 0.126 -1.542
89 H LYS 14 H LYS 14 -9.287 -8.109 -4.265
90 HA LYS 14 HA LYS 14 -6.908 -9.777 -3.824
91 HB2 LYS 14 1HB LYS 14 -8.612 -11.705 -4.149
92 HB3 LYS 14 2HB LYS 14 -8.496 -10.914 -2.589
93 HG2 LYS 14 1HG LYS 14 -10.847 -11.074 -3.097
94 HG3 LYS 14 2HG LYS 14 -10.411 -9.388 -3.299
95 HD2 LYS 14 1HD LYS 14 -10.078 -11.023 -5.762
96 HD3 LYS 14 2HD LYS 14 -11.732 -10.928 -5.193
97 HE2 LYS 14 1HE LYS 14 -11.100 -8.310 -4.940
98 HE3 LYS 14 2HE LYS 14 -9.932 -8.723 -6.180
99 HZ1 LYS 14 3HZ LYS 14 -12.718 -9.545 -6.469
100 HZ2 LYS 14 1HZ LYS 14 -12.262 -8.029 -6.871
101 HZ3 LYS 14 2HZ LYS 14 -11.594 -9.311 -7.631
102 H ASN 15 H ASN 15 -7.370 -7.748 -5.904
103 HA ASN 15 HA ASN 15 -7.894 -9.434 -8.202
104 HB2 ASN 15 1HB ASN 15 -8.638 -6.814 -7.619
105 HB3 ASN 15 2HB ASN 15 -7.229 -6.554 -8.627
106 HD21 ASN 15 1HD2 ASN 15 -8.578 -5.653 -10.210
107 HD22 ASN 15 2HD2 ASN 15 -9.527 -6.628 -11.282
108 H ASP 16 H ASP 16 -5.552 -6.915 -6.983
109 HA ASP 16 HA ASP 16 -3.360 -8.478 -7.833
110 HB2 ASP 16 1HB ASP 16 -4.323 -7.104 -9.912
111 HB3 ASP 16 2HB ASP 16 -3.501 -5.756 -9.151
112 H SER 17 H SER 17 -1.257 -7.327 -7.189
113 HA SER 17 HA SER 17 -1.667 -5.943 -4.780
114 HB2 SER 17 1HB SER 17 0.851 -5.789 -4.772
115 HB3 SER 17 2HB SER 17 0.238 -7.416 -4.989
116 HG SER 17 HG SER 17 1.574 -5.717 -6.842
117 H GLN 18 H GLN 18 -1.011 -5.034 -8.151
118 HA GLN 18 HA GLN 18 -0.063 -2.463 -7.610
119 HB2 GLN 18 1HB GLN 18 -1.378 -3.679 -10.074
120 HB3 GLN 18 2HB GLN 18 -0.709 -2.060 -10.052
121 HG2 GLN 18 1HG GLN 18 1.475 -3.213 -9.144
122 HG3 GLN 18 2HG GLN 18 0.754 -4.701 -9.722
123 HE21 GLN 18 1HE2 GLN 18 2.483 -1.905 -10.506
124 HE22 GLN 18 2HE2 GLN 18 2.525 -2.055 -12.231
125 H LEU 19 H LEU 19 -3.275 -3.917 -7.691
126 HA LEU 19 HA LEU 19 -4.723 -1.536 -8.138
127 HB2 LEU 19 1HB LEU 19 -5.627 -3.749 -8.563
128 HB3 LEU 19 2HB LEU 19 -5.503 -4.162 -6.865
129 HG LEU 19 HG LEU 19 -7.132 -2.298 -6.372
130 HD11 LEU 19 1HD1 LEU 19 -6.833 -0.963 -8.376
131 HD12 LEU 19 2HD1 LEU 19 -7.447 -2.294 -9.386
132 HD13 LEU 19 3HD1 LEU 19 -8.530 -1.482 -8.230
133 HD21 LEU 19 3HD2 LEU 19 -8.385 -4.131 -6.184
134 HD22 LEU 19 1HD2 LEU 19 -8.989 -3.754 -7.815
135 HD23 LEU 19 2HD2 LEU 19 -7.637 -4.893 -7.609
136 H ALA 20 H ALA 20 -4.310 -3.476 -5.087
137 HA ALA 20 HA ALA 20 -5.313 -1.523 -3.408
138 HB1 ALA 20 3HB ALA 20 -4.675 -4.053 -3.062
139 HB2 ALA 20 1HB ALA 20 -3.102 -3.390 -2.559
140 HB3 ALA 20 2HB ALA 20 -4.583 -2.923 -1.690
141 H TRP 21 H TRP 21 -2.077 -1.959 -4.856
142 HA TRP 21 HA TRP 21 -0.808 -0.053 -3.175
143 HB2 TRP 21 1HB TRP 21 0.628 -1.613 -4.096
144 HB3 TRP 21 2HB TRP 21 -0.101 -1.521 -5.687
145 HD1 TRP 21 HD TRP 21 0.574 0.750 -7.177
146 HE1 TRP 21 1HE TRP 21 2.741 2.255 -7.245
147 HE3 TRP 21 3HE TRP 21 2.392 -0.748 -2.670
148 HZ2 TRP 21 2HZ TRP 21 4.923 2.641 -5.446
149 HZ3 TRP 21 3HZ TRP 21 4.546 0.242 -1.900
150 HH2 TRP 21 HH TRP 21 5.802 1.882 -3.208
151 H ASP 22 H ASP 22 -2.464 -0.057 -6.374
152 HA ASP 22 HA ASP 22 -1.743 2.521 -7.080
153 HB2 ASP 22 1HB ASP 22 -3.805 0.517 -7.880
154 HB3 ASP 22 2HB ASP 22 -4.223 2.179 -8.250
155 H THR 23 H THR 23 -3.806 1.288 -4.600
156 HA THR 23 HA THR 23 -5.573 3.601 -4.575
157 HB THR 23 HB THR 23 -5.485 0.840 -3.457
158 HG1 THR 23 1HG THR 23 -7.537 2.877 -3.966
159 HG21 THR 23 3HG2 THR 23 -7.353 1.808 -1.778
160 HG22 THR 23 1HG2 THR 23 -5.655 1.667 -1.263
161 HG23 THR 23 2HG2 THR 23 -6.294 3.238 -1.802
162 H CYS 24 H CYS 24 -3.471 1.965 -2.106
163 HA CYS 24 HA CYS 24 -3.433 4.231 -0.472
164 HB2 CYS 24 1HB CYS 24 -2.865 2.488 0.808
165 HB3 CYS 24 2HB CYS 24 -2.180 1.584 -0.528
166 H SER 25 H SER 25 -0.683 2.718 -2.330
167 HA SER 25 HA SER 25 0.687 5.212 -2.297
168 HB2 SER 25 1HB SER 25 2.039 3.501 -4.068
169 HB3 SER 25 2HB SER 25 2.404 3.746 -2.371
170 HG SER 25 HG SER 25 0.690 1.721 -3.525
171 H GLY 26 H GLY 26 -1.621 5.855 -3.520
172 HA2 GLY 26 1HA GLY 26 -0.958 5.888 -6.404
173 HA3 GLY 26 2HA GLY 26 -2.591 5.718 -5.793
174 H GLY 27 H GLY 27 -1.122 7.682 -3.543
175 HA2 GLY 27 1HA GLY 27 -0.672 9.969 -3.488
176 HA3 GLY 27 2HA GLY 27 -1.403 10.169 -5.068
177 H THR 28 H THR 28 -3.787 8.444 -4.345
178 HA THR 28 HA THR 28 -5.064 10.172 -2.345
179 HB THR 28 HB THR 28 -7.036 10.331 -3.907
180 HG1 THR 28 1HG THR 28 -6.356 8.335 -5.078
181 HG21 THR 28 3HG2 THR 28 -5.666 12.260 -4.205
182 HG22 THR 28 1HG2 THR 28 -4.310 11.303 -4.849
183 HG23 THR 28 2HG2 THR 28 -5.757 11.581 -5.848
184 H GLY 29 H GLY 29 -7.560 9.123 -2.257
185 HA2 GLY 29 1HA GLY 29 -8.783 7.212 -1.880
186 HA3 GLY 29 2HA GLY 29 -7.366 6.222 -2.169
187 H ASN 30 H ASN 30 -6.377 5.300 -0.418
188 HA ASN 30 HA ASN 30 -6.793 6.643 2.132
189 HB2 ASN 30 1HB ASN 30 -6.672 4.094 2.991
190 HB3 ASN 30 2HB ASN 30 -8.195 4.808 2.498
191 HD21 ASN 30 1HD2 ASN 30 -6.014 2.309 2.047
192 HD22 ASN 30 2HD2 ASN 30 -6.628 1.620 0.581
193 H CYS 31 H CYS 31 -4.516 7.290 0.887
194 HA CYS 31 HA CYS 31 -2.471 5.339 1.084
195 HB2 CYS 31 1HB CYS 31 -1.096 6.879 0.124
196 HB3 CYS 31 2HB CYS 31 -2.656 7.453 -0.431
197 H GLY 32 H GLY 32 -0.608 5.468 2.600
198 HA2 GLY 32 1HA GLY 32 -0.181 7.114 4.684
199 HA3 GLY 32 2HA GLY 32 -1.492 6.116 5.280
200 H THR 33 H THR 33 0.517 5.694 6.831
201 HA THR 33 HA THR 33 2.376 3.757 5.740
202 HB THR 33 HB THR 33 1.985 4.872 8.568
203 HG1 THR 33 1HG THR 33 2.461 6.402 6.742
204 HG21 THR 33 3HG2 THR 33 4.336 3.495 7.165
205 HG22 THR 33 1HG2 THR 33 4.448 4.323 8.737
206 HG23 THR 33 2HG2 THR 33 3.437 2.868 8.568
207 H VAL 34 H VAL 34 -0.821 3.649 6.725
208 HA VAL 34 HA VAL 34 -0.704 1.272 8.291
209 HB VAL 34 HB VAL 34 -2.920 2.750 6.868
210 HG11 VAL 34 1HG1 VAL 34 -3.659 0.484 6.953
211 HG12 VAL 34 2HG1 VAL 34 -3.050 0.275 8.612
212 HG13 VAL 34 3HG1 VAL 34 -4.449 1.331 8.304
213 HG21 VAL 34 3HG2 VAL 34 -2.335 4.102 8.641
214 HG22 VAL 34 1HG2 VAL 34 -3.540 3.047 9.417
215 HG23 VAL 34 2HG2 VAL 34 -1.803 2.737 9.652
216 H CYS 35 H CYS 35 -1.335 2.089 4.832
217 HA CYS 35 HA CYS 35 -1.996 -0.501 4.054
218 HB2 CYS 35 1HB CYS 35 -2.440 0.563 2.175
219 HB3 CYS 35 2HB CYS 35 -1.735 2.022 2.842
220 H CYS 36 H CYS 36 0.948 0.908 5.171
221 HA CYS 36 HA CYS 36 2.857 -0.334 3.633
222 HB2 CYS 36 1HB CYS 36 4.343 0.422 5.145
223 HB3 CYS 36 2HB CYS 36 2.965 1.378 5.653
224 H GLY 37 H GLY 37 1.230 -1.439 6.695
225 HA2 GLY 37 1HA GLY 37 2.124 -4.188 6.068
226 HA3 GLY 37 2HA GLY 37 1.848 -3.558 7.679
227 H GLN 38 H GLN 38 -0.170 -3.063 4.718
228 HA GLN 38 HA GLN 38 -2.287 -4.484 6.140
229 HB2 GLN 38 1HB GLN 38 -2.319 -1.818 5.534
230 HB3 GLN 38 2HB GLN 38 -3.042 -2.461 4.073
231 HG2 GLN 38 1HG GLN 38 -4.578 -3.850 5.672
232 HG3 GLN 38 2HG GLN 38 -4.023 -2.770 6.935
233 HE21 GLN 38 1HE2 GLN 38 -5.451 -2.847 3.694
234 HE22 GLN 38 2HE2 GLN 38 -6.407 -1.409 3.832
235 H CYS 39 H CYS 39 -1.110 -3.457 2.858
236 HA CYS 39 HA CYS 39 -2.328 -5.907 1.818
237 HB2 CYS 39 1HB CYS 39 -1.691 -3.272 0.494
238 HB3 CYS 39 2HB CYS 39 -2.035 -4.725 -0.423
239 H PHE 40 H PHE 40 0.607 -4.131 2.524
240 HA PHE 40 HA PHE 40 2.138 -6.280 1.262
241 HB2 PHE 40 1HB PHE 40 3.145 -3.413 1.367
242 HB3 PHE 40 2HB PHE 40 3.567 -4.665 0.216
243 HD1 PHE 40 2HD PHE 40 2.094 -5.153 -1.686
244 HD2 PHE 40 1HD PHE 40 1.208 -2.014 1.029
245 HE1 PHE 40 2HE PHE 40 0.461 -4.192 -3.331
246 HE2 PHE 40 1HE PHE 40 -0.425 -1.052 -0.617
247 HZ PHE 40 HZ PHE 40 -0.779 -2.153 -2.777
248 H SER 41 H SER 41 4.672 -5.687 2.013
249 HA SER 41 HA SER 41 4.660 -4.833 4.747
250 HB2 SER 41 1HB SER 41 4.932 -7.708 3.933
251 HB3 SER 41 2HB SER 41 6.031 -7.136 5.172
252 HG SER 41 HG SER 41 3.139 -7.082 5.227
253 H PHE 42 H PHE 42 6.931 -4.607 5.592
254 HA PHE 42 HA PHE 42 8.601 -3.428 3.766
255 HB2 PHE 42 1HB PHE 42 8.462 -4.089 6.552
256 HB3 PHE 42 2HB PHE 42 9.987 -4.764 6.015
257 HD1 PHE 42 2HD PHE 42 8.025 -1.609 6.044
258 HD2 PHE 42 1HD PHE 42 11.866 -3.393 5.773
259 HE1 PHE 42 2HE PHE 42 9.090 0.657 6.220
260 HE2 PHE 42 1HE PHE 42 12.931 -1.127 5.948
261 HZ PHE 42 HZ PHE 42 11.530 0.871 6.170
262 HA PRO 43 HA PRO 43 10.715 -3.136 3.785
263 HB2 PRO 43 1HB PRO 43 12.388 -2.773 1.655
264 HB3 PRO 43 2HB PRO 43 12.939 -3.330 3.223
265 HG2 PRO 43 1HG PRO 43 12.564 -4.879 0.733
266 HG3 PRO 43 2HG PRO 43 13.495 -5.299 2.157
267 HD2 PRO 43 1HD PRO 43 10.920 -6.328 1.424
268 HD3 PRO 43 2HD PRO 43 11.798 -6.659 2.904
269 H VAL 44 H VAL 44 8.657 -4.557 1.840
270 HA VAL 44 HA VAL 44 8.330 -2.572 -0.158
271 HB VAL 44 HB VAL 44 6.170 -4.428 0.786
272 HG11 VAL 44 1HG1 VAL 44 7.049 -3.315 -1.891
273 HG12 VAL 44 2HG1 VAL 44 5.860 -4.630 -1.727
274 HG13 VAL 44 3HG1 VAL 44 5.520 -3.029 -1.025
275 HG21 VAL 44 3HG2 VAL 44 7.560 -6.182 0.651
276 HG22 VAL 44 1HG2 VAL 44 7.579 -5.890 -1.104
277 HG23 VAL 44 2HG2 VAL 44 8.858 -5.204 -0.074
278 H SER 45 H SER 45 6.981 -3.174 3.116
279 HA SER 45 HA SER 45 4.901 -1.442 3.066
280 HB2 SER 45 1HB SER 45 4.928 -2.520 5.082
281 HB3 SER 45 2HB SER 45 6.678 -2.602 5.131
282 HG SER 45 HG SER 45 6.669 -0.294 5.730
283 H GLN 46 H GLN 46 8.322 -0.763 2.860
284 HA GLN 46 HA GLN 46 8.121 1.885 3.864
285 HB2 GLN 46 1HB GLN 46 10.248 0.830 4.112
286 HB3 GLN 46 2HB GLN 46 10.284 0.301 2.442
287 HG2 GLN 46 1HG GLN 46 11.782 2.188 2.602
288 HG3 GLN 46 2HG GLN 46 10.365 2.745 1.735
289 HE21 GLN 46 1HE2 GLN 46 12.045 2.711 4.813
290 HE22 GLN 46 2HE2 GLN 46 11.294 4.104 5.516
291 H SER 47 H SER 47 7.829 0.244 0.727
292 HA SER 47 HA SER 47 8.109 2.623 -0.777
293 HB2 SER 47 1HB SER 47 6.706 0.117 -1.752
294 HB3 SER 47 2HB SER 47 7.653 1.263 -2.679
295 HG SER 47 HG SER 47 8.806 -0.743 -2.245
296 H CYS 48 H CYS 48 5.417 0.699 0.618
297 HA CYS 48 HA CYS 48 3.328 1.907 -0.732
298 HB2 CYS 48 1HB CYS 48 2.618 0.069 0.385
299 HB3 CYS 48 2HB CYS 48 3.649 0.358 1.772
300 H ALA 49 H ALA 49 4.789 2.650 2.522
301 HA ALA 49 HA ALA 49 3.270 5.045 2.792
302 HB1 ALA 49 3HB ALA 49 4.859 3.335 4.414
303 HB2 ALA 49 1HB ALA 49 5.614 4.946 4.479
304 HB3 ALA 49 2HB ALA 49 3.903 4.747 4.926
305 H GLY 50 H GLY 50 5.808 4.200 0.759
306 HA2 GLY 50 1HA GLY 50 7.200 6.765 0.946
307 HA3 GLY 50 2HA GLY 50 7.652 5.373 -0.018
308 H MET 51 H MET 51 5.394 4.748 -1.486
309 HA MET 51 HA MET 51 5.323 7.004 -3.252
310 HB2 MET 51 1HB MET 51 5.575 4.439 -3.828
311 HB3 MET 51 2HB MET 51 3.842 4.352 -3.583
312 HG2 MET 51 1HG MET 51 4.032 6.564 -5.240
313 HG3 MET 51 2HG MET 51 5.375 5.596 -5.815
314 HE1 MET 51 3HE MET 51 4.603 5.523 -7.842
315 HE2 MET 51 1HE MET 51 4.283 3.810 -8.205
316 HE3 MET 51 2HE MET 51 3.007 5.026 -8.452
317 H ALA 52 H ALA 52 3.802 6.730 -0.504
318 HA ALA 52 HA ALA 52 1.060 6.944 -1.427
319 HB1 ALA 52 3HB ALA 52 2.445 6.221 1.006
320 HB2 ALA 52 1HB ALA 52 1.300 7.541 1.341
321 HB3 ALA 52 2HB ALA 52 0.723 6.030 0.597
322 H ASP 53 H ASP 53 3.034 8.912 -2.381
323 HA ASP 53 HA ASP 53 3.236 11.050 -2.667
324 HB2 ASP 53 1HB ASP 53 0.424 10.739 -1.775
325 HB3 ASP 53 2HB ASP 53 1.055 12.352 -1.504
326 H SER 54 H SER 54 3.543 13.236 -1.464
327 HA SER 54 HA SER 54 4.275 12.626 1.276
328 HB2 SER 54 1HB SER 54 5.438 14.230 -0.876
329 HB3 SER 54 2HB SER 54 5.253 15.192 0.577
330 HG SER 54 HG SER 54 7.312 14.015 0.444
331 H ASN 55 H ASN 55 3.322 15.688 -0.441
332 HA ASN 55 HA ASN 55 1.507 16.159 1.788
333 HB2 ASN 55 1HB ASN 55 3.562 17.772 0.880
334 HB3 ASN 55 2HB ASN 55 2.222 18.420 -0.044
335 HD21 ASN 55 1HD2 ASN 55 3.625 17.955 3.087
336 HD22 ASN 55 2HD2 ASN 55 2.568 18.978 4.002
337 H ASP 56 H ASP 56 1.734 15.261 -1.489
338 HA ASP 56 HA ASP 56 -0.399 16.777 -2.527
339 HB2 ASP 56 1HB ASP 56 1.009 14.224 -3.411
340 HB3 ASP 56 2HB ASP 56 -0.321 14.900 -4.329
341 H CYS 57 H CYS 57 -0.066 13.951 -0.500
342 HA CYS 57 HA CYS 57 -2.476 12.668 -1.277
343 HB2 CYS 57 1HB CYS 57 -0.253 12.100 0.397
344 HB3 CYS 57 2HB CYS 57 -1.690 11.986 1.394
345 HA PRO 58 HA PRO 58 -5.227 14.889 1.268
346 HB2 PRO 58 1HB PRO 58 -6.994 12.999 2.149
347 HB3 PRO 58 2HB PRO 58 -7.056 13.693 0.541
348 HG2 PRO 58 1HG PRO 58 -6.110 11.018 1.371
349 HG3 PRO 58 2HG PRO 58 -6.576 11.571 -0.226
350 HD2 PRO 58 1HD PRO 58 -3.905 11.176 0.742
351 HD3 PRO 58 2HD PRO 58 -4.369 11.839 -0.812
352 H ASN 59 H ASN 59 -2.984 14.884 2.594
353 HA ASN 59 HA ASN 59 -3.535 13.684 5.151
354 HB2 ASN 59 1HB ASN 59 -1.143 15.359 4.220
355 HB3 ASN 59 2HB ASN 59 -1.225 14.454 5.719
356 HD21 ASN 59 1HD2 ASN 59 0.636 14.227 3.507
357 HD22 ASN 59 2HD2 ASN 59 0.563 12.599 2.920
358 H ALA 60 H ALA 60 -3.039 15.187 7.156
359 HA ALA 60 HA ALA 60 -4.787 17.371 7.085
360 HB1 ALA 60 3HB ALA 60 -3.322 17.789 9.332
361 HB2 ALA 60 1HB ALA 60 -4.604 16.560 9.214
362 HB3 ALA 60 2HB ALA 60 -2.899 16.092 9.003
Start of MODEL 2
1 H1 ASP 1 H ASP 1 10.564 -6.429 -5.970
2 HA ASP 1 HA ASP 1 8.656 -6.412 -7.029
3 HB2 ASP 1 1HB ASP 1 9.070 -9.318 -6.728
4 HB3 ASP 1 2HB ASP 1 7.369 -8.897 -6.717
5 H ILE 2 H ILE 2 6.491 -5.866 -6.324
6 HA ILE 2 HA ILE 2 6.127 -6.016 -3.469
7 HB ILE 2 HB ILE 2 4.708 -4.276 -3.700
8 HG12 ILE 2 1HG1 ILE 2 3.883 -5.304 -6.431
9 HG13 ILE 2 2HG1 ILE 2 2.991 -5.511 -4.937
10 HG21 ILE 2 1HG2 ILE 2 6.005 -3.945 -6.403
11 HG22 ILE 2 2HG2 ILE 2 5.592 -2.703 -5.196
12 HG23 ILE 2 3HG2 ILE 2 6.932 -3.834 -4.887
13 HD11 ILE 2 3HD1 ILE 2 3.566 -2.716 -5.149
14 HD12 ILE 2 1HD1 ILE 2 2.980 -3.253 -6.742
15 HD13 ILE 2 2HD1 ILE 2 1.983 -3.518 -5.291
16 H GLU 3 H GLU 3 4.725 -7.389 -6.470
17 HA GLU 3 HA GLU 3 2.454 -8.457 -5.404
18 HB2 GLU 3 1HB GLU 3 2.642 -10.146 -7.276
19 HB3 GLU 3 2HB GLU 3 2.822 -8.480 -7.788
20 HG2 GLU 3 1HG GLU 3 4.785 -9.091 -8.753
21 HG3 GLU 3 2HG GLU 3 5.447 -9.239 -7.137
22 H ASP 4 H ASP 4 5.832 -9.463 -5.046
23 HA ASP 4 HA ASP 4 5.231 -12.070 -4.178
24 HB2 ASP 4 1HB ASP 4 7.567 -10.423 -4.647
25 HB3 ASP 4 2HB ASP 4 7.716 -11.140 -3.054
26 H PHE 5 H PHE 5 4.659 -9.015 -2.843
27 HA PHE 5 HA PHE 5 4.753 -10.110 -0.122
28 HB2 PHE 5 1HB PHE 5 5.608 -7.472 -1.369
29 HB3 PHE 5 2HB PHE 5 4.949 -7.411 0.254
30 HD1 PHE 5 2HD PHE 5 7.725 -8.645 -1.806
31 HD2 PHE 5 1HD PHE 5 6.184 -8.280 2.131
32 HE1 PHE 5 2HE PHE 5 9.971 -9.259 -0.871
33 HE2 PHE 5 1HE PHE 5 8.431 -8.895 3.066
34 HZ PHE 5 HZ PHE 5 10.297 -9.377 1.555
35 H TYR 6 H TYR 6 2.659 -9.744 -2.454
36 HA TYR 6 HA TYR 6 0.810 -7.853 -1.358
37 HB2 TYR 6 1HB TYR 6 1.068 -8.504 -3.803
38 HB3 TYR 6 2HB TYR 6 0.640 -10.155 -3.403
39 HD1 TYR 6 1HD TYR 6 -1.263 -7.819 -1.481
40 HD2 TYR 6 2HD TYR 6 -1.050 -9.700 -5.318
41 HE1 TYR 6 1HE TYR 6 -3.715 -7.284 -1.888
42 HE2 TYR 6 2HE TYR 6 -3.503 -9.158 -5.712
43 HH TYR 6 HH TYR 6 -5.173 -6.938 -3.884
44 H THR 7 H THR 7 -0.123 -8.280 0.599
45 HA THR 7 HA THR 7 -0.832 -11.044 1.214
46 HB THR 7 HB THR 7 -0.890 -10.270 3.479
47 HG1 THR 7 1HG THR 7 -1.015 -7.622 2.214
48 HG21 THR 7 3HG2 THR 7 1.156 -9.106 3.836
49 HG22 THR 7 1HG2 THR 7 1.427 -9.895 2.264
50 HG23 THR 7 2HG2 THR 7 0.988 -8.171 2.330
51 H SER 8 H SER 8 -2.546 -11.407 -0.252
52 HA SER 8 HA SER 8 -4.705 -9.618 -0.369
53 HB2 SER 8 1HB SER 8 -4.268 -11.094 -2.239
54 HB3 SER 8 2HB SER 8 -4.356 -12.519 -1.223
55 HG SER 8 HG SER 8 -6.561 -10.716 -1.766
56 H GLU 9 H GLU 9 -3.634 -11.608 2.116
57 HA GLU 9 HA GLU 9 -6.089 -12.725 2.925
58 HB2 GLU 9 1HB GLU 9 -3.405 -13.031 3.625
59 HB3 GLU 9 2HB GLU 9 -4.088 -12.276 5.052
60 HG2 GLU 9 1HG GLU 9 -5.806 -14.420 3.941
61 HG3 GLU 9 2HG GLU 9 -4.224 -14.994 4.428
62 H THR 10 H THR 10 -4.145 -9.846 3.967
63 HA THR 10 HA THR 10 -6.428 -8.964 5.577
64 HB THR 10 HB THR 10 -4.372 -8.924 6.810
65 HG1 THR 10 1HG THR 10 -3.975 -6.493 6.755
66 HG21 THR 10 3HG2 THR 10 -3.218 -8.023 4.173
67 HG22 THR 10 1HG2 THR 10 -2.494 -7.350 5.653
68 HG23 THR 10 2HG2 THR 10 -2.518 -9.111 5.395
69 H CYS 11 H CYS 11 -4.711 -8.344 2.568
70 HA CYS 11 HA CYS 11 -5.513 -5.691 2.240
71 HB2 CYS 11 1HB CYS 11 -3.737 -6.960 0.959
72 HB3 CYS 11 2HB CYS 11 -5.030 -7.700 0.037
73 HA PRO 12 HA PRO 12 -9.739 -6.394 1.381
74 HB2 PRO 12 1HB PRO 12 -10.430 -3.905 0.487
75 HB3 PRO 12 2HB PRO 12 -10.321 -4.317 2.187
76 HG2 PRO 12 1HG PRO 12 -8.445 -2.734 0.540
77 HG3 PRO 12 2HG PRO 12 -8.586 -2.801 2.285
78 HD2 PRO 12 1HD PRO 12 -6.585 -4.078 0.674
79 HD3 PRO 12 2HD PRO 12 -6.795 -4.238 2.407
80 H TYR 13 H TYR 13 -7.390 -5.871 -0.907
81 HA TYR 13 HA TYR 13 -9.344 -6.338 -3.054
82 HB2 TYR 13 1HB TYR 13 -6.464 -5.248 -2.913
83 HB3 TYR 13 2HB TYR 13 -7.300 -5.514 -4.430
84 HD1 TYR 13 2HD TYR 13 -9.355 -4.148 -4.970
85 HD2 TYR 13 1HD TYR 13 -6.848 -3.281 -1.614
86 HE1 TYR 13 2HE TYR 13 -10.343 -1.810 -4.828
87 HE2 TYR 13 1HE TYR 13 -7.845 -0.945 -1.483
88 HH TYR 13 HH TYR 13 -10.627 -0.096 -2.829
89 H LYS 14 H LYS 14 -9.059 -8.073 -4.488
90 HA LYS 14 HA LYS 14 -6.780 -9.820 -3.936
91 HB2 LYS 14 1HB LYS 14 -8.110 -11.753 -3.706
92 HB3 LYS 14 2HB LYS 14 -8.830 -10.556 -2.648
93 HG2 LYS 14 1HG LYS 14 -9.797 -11.144 -5.487
94 HG3 LYS 14 2HG LYS 14 -10.516 -11.823 -4.040
95 HD2 LYS 14 1HD LYS 14 -11.839 -9.983 -3.928
96 HD3 LYS 14 2HD LYS 14 -10.413 -9.058 -3.501
97 HE2 LYS 14 1HE LYS 14 -11.318 -7.929 -5.402
98 HE3 LYS 14 2HE LYS 14 -9.955 -8.833 -6.033
99 HZ1 LYS 14 3HZ LYS 14 -11.795 -10.625 -6.364
100 HZ2 LYS 14 1HZ LYS 14 -12.785 -9.326 -6.386
101 HZ3 LYS 14 2HZ LYS 14 -11.568 -9.443 -7.468
102 H ASN 15 H ASN 15 -7.391 -7.787 -6.024
103 HA ASN 15 HA ASN 15 -7.895 -9.516 -8.292
104 HB2 ASN 15 1HB ASN 15 -8.885 -7.045 -7.792
105 HB3 ASN 15 2HB ASN 15 -7.394 -6.545 -8.566
106 HD21 ASN 15 1HD2 ASN 15 -8.918 -5.647 -10.126
107 HD22 ASN 15 2HD2 ASN 15 -9.483 -6.628 -11.437
108 H ASP 16 H ASP 16 -5.629 -6.897 -7.144
109 HA ASP 16 HA ASP 16 -3.405 -8.373 -8.088
110 HB2 ASP 16 1HB ASP 16 -4.463 -6.986 -10.097
111 HB3 ASP 16 2HB ASP 16 -3.706 -5.615 -9.309
112 H SER 17 H SER 17 -1.364 -7.350 -7.294
113 HA SER 17 HA SER 17 -1.758 -5.982 -4.898
114 HB2 SER 17 1HB SER 17 0.735 -5.850 -4.848
115 HB3 SER 17 2HB SER 17 0.156 -7.462 -5.220
116 HG SER 17 HG SER 17 0.706 -5.679 -7.390
117 H GLN 18 H GLN 18 -0.988 -4.980 -8.240
118 HA GLN 18 HA GLN 18 -0.128 -2.408 -7.601
119 HB2 GLN 18 1HB GLN 18 0.186 -3.676 -9.799
120 HB3 GLN 18 2HB GLN 18 -1.479 -3.291 -10.185
121 HG2 GLN 18 1HG GLN 18 -0.946 -0.840 -9.915
122 HG3 GLN 18 2HG GLN 18 0.729 -1.258 -9.612
123 HE21 GLN 18 1HE2 GLN 18 1.855 -0.673 -11.306
124 HE22 GLN 18 2HE2 GLN 18 1.512 -1.034 -12.965
125 H LEU 19 H LEU 19 -3.277 -3.917 -7.653
126 HA LEU 19 HA LEU 19 -4.775 -1.558 -8.162
127 HB2 LEU 19 1HB LEU 19 -5.655 -3.748 -8.651
128 HB3 LEU 19 2HB LEU 19 -5.501 -4.237 -6.975
129 HG LEU 19 HG LEU 19 -7.172 -2.448 -6.374
130 HD11 LEU 19 1HD1 LEU 19 -6.745 -1.198 -8.585
131 HD12 LEU 19 2HD1 LEU 19 -7.887 -2.362 -9.300
132 HD13 LEU 19 3HD1 LEU 19 -8.415 -1.295 -7.976
133 HD21 LEU 19 3HD2 LEU 19 -9.112 -3.754 -7.075
134 HD22 LEU 19 1HD2 LEU 19 -8.119 -4.605 -8.282
135 HD23 LEU 19 2HD2 LEU 19 -7.782 -4.813 -6.546
136 H ALA 20 H ALA 20 -4.274 -3.516 -5.136
137 HA ALA 20 HA ALA 20 -5.392 -1.626 -3.440
138 HB1 ALA 20 3HB ALA 20 -3.152 -3.273 -2.392
139 HB2 ALA 20 1HB ALA 20 -4.836 -3.140 -1.831
140 HB3 ALA 20 2HB ALA 20 -4.441 -4.176 -3.223
141 H TRP 21 H TRP 21 -2.143 -1.916 -4.884
142 HA TRP 21 HA TRP 21 -0.937 -0.011 -3.159
143 HB2 TRP 21 1HB TRP 21 0.539 -1.507 -4.135
144 HB3 TRP 21 2HB TRP 21 -0.188 -1.367 -5.723
145 HD1 TRP 21 HD TRP 21 0.369 1.065 -7.054
146 HE1 TRP 21 1HE TRP 21 2.514 2.601 -7.070
147 HE3 TRP 21 3HE TRP 21 2.355 -0.767 -2.747
148 HZ2 TRP 21 2HZ TRP 21 4.751 2.872 -5.318
149 HZ3 TRP 21 3HZ TRP 21 4.523 0.188 -1.969
150 HH2 TRP 21 HH TRP 21 5.714 1.945 -3.180
151 H ASP 22 H ASP 22 -2.654 0.016 -6.317
152 HA ASP 22 HA ASP 22 -2.010 2.622 -6.991
153 HB2 ASP 22 1HB ASP 22 -3.918 0.538 -7.835
154 HB3 ASP 22 2HB ASP 22 -4.594 2.145 -8.011
155 H THR 23 H THR 23 -3.912 1.327 -4.440
156 HA THR 23 HA THR 23 -5.771 3.567 -4.335
157 HB THR 23 HB THR 23 -5.529 0.811 -3.233
158 HG1 THR 23 1HG THR 23 -7.617 2.818 -3.725
159 HG21 THR 23 3HG2 THR 23 -7.341 1.702 -1.455
160 HG22 THR 23 1HG2 THR 23 -5.614 1.624 -1.029
161 HG23 THR 23 2HG2 THR 23 -6.340 3.172 -1.525
162 H CYS 24 H CYS 24 -3.423 2.024 -2.032
163 HA CYS 24 HA CYS 24 -3.400 4.365 -0.438
164 HB2 CYS 24 1HB CYS 24 -2.879 2.678 0.932
165 HB3 CYS 24 2HB CYS 24 -2.235 1.680 -0.357
166 H SER 25 H SER 25 -0.655 2.667 -2.127
167 HA SER 25 HA SER 25 0.737 5.143 -2.301
168 HB2 SER 25 1HB SER 25 2.162 3.323 -3.846
169 HB3 SER 25 2HB SER 25 2.407 3.620 -2.136
170 HG SER 25 HG SER 25 1.683 1.657 -1.715
171 H GLY 26 H GLY 26 -1.532 5.691 -3.631
172 HA2 GLY 26 1HA GLY 26 -0.820 5.419 -6.492
173 HA3 GLY 26 2HA GLY 26 -2.466 5.364 -5.892
174 H GLY 27 H GLY 27 -0.988 7.504 -3.828
175 HA2 GLY 27 1HA GLY 27 -0.387 9.778 -4.123
176 HA3 GLY 27 2HA GLY 27 -1.299 9.824 -5.619
177 H THR 28 H THR 28 -3.702 8.473 -4.751
178 HA THR 28 HA THR 28 -4.665 10.254 -2.620
179 HB THR 28 HB THR 28 -6.713 10.622 -4.020
180 HG1 THR 28 1HG THR 28 -6.219 8.501 -5.182
181 HG21 THR 28 3HG2 THR 28 -5.259 12.408 -4.528
182 HG22 THR 28 1HG2 THR 28 -3.982 11.324 -5.128
183 HG23 THR 28 2HG2 THR 28 -5.418 11.645 -6.128
184 H GLY 29 H GLY 29 -7.171 9.443 -2.231
185 HA2 GLY 29 1HA GLY 29 -8.537 7.600 -1.853
186 HA3 GLY 29 2HA GLY 29 -7.195 6.516 -2.163
187 H ASN 30 H ASN 30 -6.670 5.385 -0.347
188 HA ASN 30 HA ASN 30 -6.824 6.855 2.164
189 HB2 ASN 30 1HB ASN 30 -6.840 4.446 3.154
190 HB3 ASN 30 2HB ASN 30 -8.291 4.967 2.321
191 HD21 ASN 30 1HD2 ASN 30 -9.107 3.267 1.355
192 HD22 ASN 30 2HD2 ASN 30 -8.277 2.157 0.317
193 H CYS 31 H CYS 31 -4.548 7.459 0.837
194 HA CYS 31 HA CYS 31 -2.503 5.528 1.051
195 HB2 CYS 31 1HB CYS 31 -1.097 7.110 0.162
196 HB3 CYS 31 2HB CYS 31 -2.655 7.595 -0.478
197 H GLY 32 H GLY 32 -0.761 5.455 2.626
198 HA2 GLY 32 1HA GLY 32 -0.305 7.155 4.721
199 HA3 GLY 32 2HA GLY 32 -1.593 6.110 5.287
200 H THR 33 H THR 33 0.470 5.730 6.811
201 HA THR 33 HA THR 33 2.337 3.832 5.665
202 HB THR 33 HB THR 33 2.006 4.868 8.528
203 HG1 THR 33 1HG THR 33 3.409 5.726 6.103
204 HG21 THR 33 3HG2 THR 33 4.722 4.530 7.790
205 HG22 THR 33 1HG2 THR 33 3.804 3.507 8.921
206 HG23 THR 33 2HG2 THR 33 3.906 3.062 7.200
207 H VAL 34 H VAL 34 -0.835 3.661 6.711
208 HA VAL 34 HA VAL 34 -0.647 1.281 8.263
209 HB VAL 34 HB VAL 34 -2.944 2.650 6.853
210 HG11 VAL 34 1HG1 VAL 34 -3.668 0.952 9.102
211 HG12 VAL 34 2HG1 VAL 34 -4.321 0.992 7.447
212 HG13 VAL 34 3HG1 VAL 34 -2.873 0.022 7.809
213 HG21 VAL 34 3HG2 VAL 34 -2.162 4.112 8.528
214 HG22 VAL 34 1HG2 VAL 34 -3.520 3.245 9.285
215 HG23 VAL 34 2HG2 VAL 34 -1.845 2.781 9.666
216 H CYS 35 H CYS 35 -1.310 2.104 4.816
217 HA CYS 35 HA CYS 35 -1.968 -0.482 4.027
218 HB2 CYS 35 1HB CYS 35 -2.392 0.565 2.133
219 HB3 CYS 35 2HB CYS 35 -1.746 2.037 2.830
220 H CYS 36 H CYS 36 0.981 0.932 5.136
221 HA CYS 36 HA CYS 36 2.888 -0.301 3.596
222 HB2 CYS 36 1HB CYS 36 4.381 0.417 5.130
223 HB3 CYS 36 2HB CYS 36 3.012 1.400 5.609
224 H GLY 37 H GLY 37 1.277 -1.435 6.656
225 HA2 GLY 37 1HA GLY 37 2.156 -4.179 5.990
226 HA3 GLY 37 2HA GLY 37 1.906 -3.566 7.612
227 H GLN 38 H GLN 38 -0.131 -3.101 4.650
228 HA GLN 38 HA GLN 38 -2.241 -4.500 6.102
229 HB2 GLN 38 1HB GLN 38 -2.302 -1.845 5.562
230 HB3 GLN 38 2HB GLN 38 -2.966 -2.434 4.051
231 HG2 GLN 38 1HG GLN 38 -4.461 -3.945 5.710
232 HG3 GLN 38 2HG GLN 38 -4.097 -2.653 6.837
233 HE21 GLN 38 1HE2 GLN 38 -6.621 -3.430 5.623
234 HE22 GLN 38 2HE2 GLN 38 -7.246 -2.049 4.784
235 H CYS 39 H CYS 39 -1.062 -3.482 2.821
236 HA CYS 39 HA CYS 39 -2.293 -5.929 1.786
237 HB2 CYS 39 1HB CYS 39 -1.680 -3.303 0.425
238 HB3 CYS 39 2HB CYS 39 -2.104 -4.762 -0.448
239 H PHE 40 H PHE 40 0.629 -4.140 2.478
240 HA PHE 40 HA PHE 40 2.165 -6.251 1.160
241 HB2 PHE 40 1HB PHE 40 3.151 -3.379 1.294
242 HB3 PHE 40 2HB PHE 40 3.558 -4.608 0.113
243 HD1 PHE 40 1HD PHE 40 2.002 -5.109 -1.740
244 HD2 PHE 40 2HD PHE 40 1.252 -1.947 0.988
245 HE1 PHE 40 1HE PHE 40 0.333 -4.128 -3.337
246 HE2 PHE 40 2HE PHE 40 -0.418 -0.965 -0.609
247 HZ PHE 40 HZ PHE 40 -0.857 -2.068 -2.752
248 H SER 41 H SER 41 4.683 -5.748 1.898
249 HA SER 41 HA SER 41 4.706 -4.898 4.642
250 HB2 SER 41 1HB SER 41 4.632 -6.974 5.525
251 HB3 SER 41 2HB SER 41 4.549 -7.688 3.927
252 HG SER 41 HG SER 41 6.764 -7.362 5.649
253 H PHE 42 H PHE 42 6.990 -4.683 5.467
254 HA PHE 42 HA PHE 42 8.629 -3.456 3.641
255 HB2 PHE 42 1HB PHE 42 8.524 -4.157 6.416
256 HB3 PHE 42 2HB PHE 42 10.045 -4.824 5.855
257 HD1 PHE 42 1HD PHE 42 8.080 -1.668 5.927
258 HD2 PHE 42 2HD PHE 42 11.920 -3.450 5.634
259 HE1 PHE 42 1HE PHE 42 9.146 0.596 6.123
260 HE2 PHE 42 2HE PHE 42 12.986 -1.186 5.830
261 HZ PHE 42 HZ PHE 42 11.586 0.810 6.073
262 HA PRO 43 HA PRO 43 10.743 -3.151 3.647
263 HB2 PRO 43 1HB PRO 43 12.394 -2.741 1.507
264 HB3 PRO 43 2HB PRO 43 12.963 -3.322 3.060
265 HG2 PRO 43 1HG PRO 43 12.573 -4.829 0.546
266 HG3 PRO 43 2HG PRO 43 13.519 -5.269 1.954
267 HD2 PRO 43 1HD PRO 43 10.943 -6.300 1.227
268 HD3 PRO 43 2HD PRO 43 11.838 -6.652 2.692
269 H VAL 44 H VAL 44 8.668 -4.545 1.705
270 HA VAL 44 HA VAL 44 8.313 -2.530 -0.258
271 HB VAL 44 HB VAL 44 6.167 -4.407 0.677
272 HG11 VAL 44 1HG1 VAL 44 5.935 -4.587 -1.889
273 HG12 VAL 44 2HG1 VAL 44 5.434 -3.069 -1.105
274 HG13 VAL 44 3HG1 VAL 44 7.000 -3.162 -1.945
275 HG21 VAL 44 3HG2 VAL 44 7.587 -5.824 -1.254
276 HG22 VAL 44 1HG2 VAL 44 8.850 -5.172 -0.182
277 HG23 VAL 44 2HG2 VAL 44 7.537 -6.167 0.491
278 H SER 45 H SER 45 6.998 -3.193 3.019
279 HA SER 45 HA SER 45 4.917 -1.455 3.010
280 HB2 SER 45 1HB SER 45 4.953 -2.601 4.993
281 HB3 SER 45 2HB SER 45 6.704 -2.657 5.051
282 HG SER 45 HG SER 45 6.669 -0.381 5.722
283 H GLN 46 H GLN 46 8.374 -0.802 2.945
284 HA GLN 46 HA GLN 46 8.167 1.826 3.966
285 HB2 GLN 46 1HB GLN 46 10.235 0.157 3.758
286 HB3 GLN 46 2HB GLN 46 10.446 0.930 2.200
287 HG2 GLN 46 1HG GLN 46 10.421 3.180 3.362
288 HG3 GLN 46 2HG GLN 46 10.332 2.350 4.902
289 HE21 GLN 46 1HE2 GLN 46 12.248 2.919 5.737
290 HE22 GLN 46 2HE2 GLN 46 13.795 2.478 5.096
291 H SER 47 H SER 47 7.859 0.269 0.795
292 HA SER 47 HA SER 47 8.187 2.676 -0.654
293 HB2 SER 47 1HB SER 47 6.738 0.228 -1.699
294 HB3 SER 47 2HB SER 47 7.729 1.369 -2.586
295 HG SER 47 HG SER 47 9.070 -0.373 -2.333
296 H CYS 48 H CYS 48 5.447 0.739 0.643
297 HA CYS 48 HA CYS 48 3.374 1.961 -0.662
298 HB2 CYS 48 1HB CYS 48 2.697 0.146 0.533
299 HB3 CYS 48 2HB CYS 48 3.694 0.531 1.922
300 H ALA 49 H ALA 49 4.722 2.760 2.632
301 HA ALA 49 HA ALA 49 3.266 5.150 2.869
302 HB1 ALA 49 3HB ALA 49 5.804 4.148 4.220
303 HB2 ALA 49 1HB ALA 49 4.869 5.566 4.750
304 HB3 ALA 49 2HB ALA 49 4.134 3.946 4.800
305 H GLY 50 H GLY 50 5.992 4.263 0.938
306 HA2 GLY 50 1HA GLY 50 7.218 6.875 0.881
307 HA3 GLY 50 2HA GLY 50 7.616 5.477 -0.098
308 H MET 51 H MET 51 5.370 4.802 -1.477
309 HA MET 51 HA MET 51 5.096 7.079 -3.194
310 HB2 MET 51 1HB MET 51 5.497 4.643 -3.944
311 HB3 MET 51 2HB MET 51 3.861 4.281 -3.431
312 HG2 MET 51 1HG MET 51 3.240 4.873 -5.547
313 HG3 MET 51 2HG MET 51 3.462 6.529 -5.018
314 HE1 MET 51 3HE MET 51 4.197 3.811 -7.077
315 HE2 MET 51 1HE MET 51 4.320 5.049 -8.349
316 HE3 MET 51 2HE MET 51 5.741 4.066 -7.924
317 H ALA 52 H ALA 52 3.723 6.696 -0.389
318 HA ALA 52 HA ALA 52 0.932 6.771 -1.181
319 HB1 ALA 52 3HB ALA 52 2.510 6.327 1.284
320 HB2 ALA 52 1HB ALA 52 1.021 7.272 1.520
321 HB3 ALA 52 2HB ALA 52 0.939 5.649 0.793
322 H ASP 53 H ASP 53 2.946 8.867 -2.041
323 HA ASP 53 HA ASP 53 3.039 11.018 -2.287
324 HB2 ASP 53 1HB ASP 53 0.207 10.530 -1.589
325 HB3 ASP 53 2HB ASP 53 0.719 12.158 -1.188
326 H SER 54 H SER 54 3.301 13.143 -1.047
327 HA SER 54 HA SER 54 3.656 12.552 1.783
328 HB2 SER 54 1HB SER 54 5.331 13.860 -0.225
329 HB3 SER 54 2HB SER 54 5.062 14.928 1.138
330 HG SER 54 HG SER 54 6.799 12.916 1.007
331 H ASN 55 H ASN 55 3.501 15.668 -0.064
332 HA ASN 55 HA ASN 55 1.501 16.527 1.850
333 HB2 ASN 55 1HB ASN 55 3.787 17.786 0.965
334 HB3 ASN 55 2HB ASN 55 2.623 18.453 -0.162
335 HD21 ASN 55 1HD2 ASN 55 3.901 20.074 1.584
336 HD22 ASN 55 2HD2 ASN 55 2.823 20.680 2.797
337 H ASP 56 H ASP 56 1.849 15.262 -1.302
338 HA ASP 56 HA ASP 56 -0.033 16.870 -2.641
339 HB2 ASP 56 1HB ASP 56 1.819 14.916 -3.350
340 HB3 ASP 56 2HB ASP 56 0.303 14.066 -3.570
341 H CYS 57 H CYS 57 -0.051 13.880 -0.672
342 HA CYS 57 HA CYS 57 -2.571 12.945 -1.406
343 HB2 CYS 57 1HB CYS 57 -0.519 12.250 0.441
344 HB3 CYS 57 2HB CYS 57 -2.027 12.315 1.331
345 HA PRO 58 HA PRO 58 -5.214 15.540 0.890
346 HB2 PRO 58 1HB PRO 58 -7.157 13.874 1.849
347 HB3 PRO 58 2HB PRO 58 -7.114 14.442 0.192
348 HG2 PRO 58 1HG PRO 58 -6.419 11.773 1.256
349 HG3 PRO 58 2HG PRO 58 -6.790 12.234 -0.393
350 HD2 PRO 58 1HD PRO 58 -4.190 11.702 0.696
351 HD3 PRO 58 2HD PRO 58 -4.553 12.276 -0.920
352 H ASN 59 H ASN 59 -3.014 15.446 2.291
353 HA ASN 59 HA ASN 59 -3.699 14.473 4.900
354 HB2 ASN 59 1HB ASN 59 -1.221 16.006 3.951
355 HB3 ASN 59 2HB ASN 59 -1.379 15.182 5.489
356 HD21 ASN 59 1HD2 ASN 59 -1.512 12.918 5.566
357 HD22 ASN 59 2HD2 ASN 59 -0.917 11.913 4.288
358 H ALA 60 H ALA 60 -3.263 16.058 6.830
359 HA ALA 60 HA ALA 60 -3.251 18.824 6.426
360 HB1 ALA 60 3HB ALA 60 -5.613 19.311 7.080
361 HB2 ALA 60 1HB ALA 60 -5.485 18.515 5.493
362 HB3 ALA 60 2HB ALA 60 -5.985 17.577 6.921
Start of MODEL 3
1 H1 ASP 1 H ASP 1 10.130 -7.320 -5.105
2 HA ASP 1 HA ASP 1 8.732 -5.997 -7.116
3 HB2 ASP 1 1HB ASP 1 8.285 -9.001 -6.856
4 HB3 ASP 1 2HB ASP 1 7.063 -7.936 -7.523
5 H ILE 2 H ILE 2 6.263 -5.957 -6.471
6 HA ILE 2 HA ILE 2 6.142 -6.042 -3.558
7 HB ILE 2 HB ILE 2 4.665 -4.332 -3.649
8 HG12 ILE 2 1HG1 ILE 2 3.760 -5.286 -6.381
9 HG13 ILE 2 2HG1 ILE 2 2.917 -5.520 -4.863
10 HG21 ILE 2 1HG2 ILE 2 5.390 -2.685 -5.220
11 HG22 ILE 2 2HG2 ILE 2 6.797 -3.690 -4.796
12 HG23 ILE 2 3HG2 ILE 2 5.967 -3.932 -6.352
13 HD11 ILE 2 3HD1 ILE 2 2.994 -3.154 -6.605
14 HD12 ILE 2 1HD1 ILE 2 1.842 -3.571 -5.314
15 HD13 ILE 2 2HD1 ILE 2 3.371 -2.755 -4.912
16 H GLU 3 H GLU 3 4.725 -7.420 -6.527
17 HA GLU 3 HA GLU 3 2.474 -8.527 -5.458
18 HB2 GLU 3 1HB GLU 3 2.629 -10.168 -7.332
19 HB3 GLU 3 2HB GLU 3 2.930 -8.524 -7.858
20 HG2 GLU 3 1HG GLU 3 4.920 -9.194 -8.707
21 HG3 GLU 3 2HG GLU 3 5.473 -9.530 -7.078
22 H ASP 4 H ASP 4 5.877 -9.505 -5.148
23 HA ASP 4 HA ASP 4 5.300 -12.098 -4.224
24 HB2 ASP 4 1HB ASP 4 7.767 -10.340 -3.825
25 HB3 ASP 4 2HB ASP 4 7.705 -12.056 -3.477
26 H PHE 5 H PHE 5 4.698 -9.050 -2.926
27 HA PHE 5 HA PHE 5 4.866 -10.097 -0.192
28 HB2 PHE 5 1HB PHE 5 5.751 -7.505 -1.495
29 HB3 PHE 5 2HB PHE 5 5.066 -7.373 0.113
30 HD1 PHE 5 2HD PHE 5 6.199 -8.417 2.034
31 HD2 PHE 5 1HD PHE 5 7.915 -8.497 -1.846
32 HE1 PHE 5 2HE PHE 5 8.420 -9.028 3.030
33 HE2 PHE 5 1HE PHE 5 10.137 -9.108 -0.850
34 HZ PHE 5 HZ PHE 5 10.363 -9.366 1.576
35 H TYR 6 H TYR 6 2.716 -9.816 -2.448
36 HA TYR 6 HA TYR 6 0.903 -7.869 -1.386
37 HB2 TYR 6 1HB TYR 6 1.176 -8.725 -3.816
38 HB3 TYR 6 2HB TYR 6 0.550 -10.273 -3.283
39 HD1 TYR 6 1HD TYR 6 -0.876 -7.253 -1.801
40 HD2 TYR 6 2HD TYR 6 -1.241 -10.083 -4.989
41 HE1 TYR 6 1HE TYR 6 -3.247 -6.451 -2.251
42 HE2 TYR 6 2HE TYR 6 -3.610 -9.272 -5.428
43 HH TYR 6 HH TYR 6 -5.249 -8.036 -4.708
44 H THR 7 H THR 7 -0.332 -8.139 0.399
45 HA THR 7 HA THR 7 -0.914 -10.901 1.221
46 HB THR 7 HB THR 7 -1.187 -9.881 3.469
47 HG1 THR 7 1HG THR 7 -2.000 -7.825 2.375
48 HG21 THR 7 3HG2 THR 7 1.219 -8.351 2.562
49 HG22 THR 7 1HG2 THR 7 1.065 -9.536 3.882
50 HG23 THR 7 2HG2 THR 7 1.253 -10.093 2.202
51 H SER 8 H SER 8 -2.614 -11.226 -0.318
52 HA SER 8 HA SER 8 -4.752 -9.456 -0.495
53 HB2 SER 8 1HB SER 8 -4.706 -10.898 -2.301
54 HB3 SER 8 2HB SER 8 -4.165 -12.263 -1.344
55 HG SER 8 HG SER 8 -6.394 -12.458 -2.131
56 H GLU 9 H GLU 9 -3.732 -11.449 2.067
57 HA GLU 9 HA GLU 9 -6.229 -12.361 2.964
58 HB2 GLU 9 1HB GLU 9 -3.553 -12.775 3.649
59 HB3 GLU 9 2HB GLU 9 -4.184 -11.933 5.050
60 HG2 GLU 9 1HG GLU 9 -6.014 -13.581 5.270
61 HG3 GLU 9 2HG GLU 9 -5.508 -14.384 3.797
62 H THR 10 H THR 10 -4.056 -9.676 4.118
63 HA THR 10 HA THR 10 -6.249 -8.581 5.669
64 HB THR 10 HB THR 10 -4.117 -8.547 6.766
65 HG1 THR 10 1HG THR 10 -5.110 -6.469 6.906
66 HG21 THR 10 3HG2 THR 10 -3.113 -7.785 4.023
67 HG22 THR 10 1HG2 THR 10 -2.275 -7.084 5.428
68 HG23 THR 10 2HG2 THR 10 -2.368 -8.852 5.238
69 H CYS 11 H CYS 11 -4.633 -8.083 2.562
70 HA CYS 11 HA CYS 11 -5.454 -5.445 2.174
71 HB2 CYS 11 1HB CYS 11 -3.732 -6.834 0.879
72 HB3 CYS 11 2HB CYS 11 -5.090 -7.478 -0.022
73 HA PRO 12 HA PRO 12 -9.703 -6.169 1.464
74 HB2 PRO 12 1HB PRO 12 -10.418 -3.720 0.485
75 HB3 PRO 12 2HB PRO 12 -10.258 -4.058 2.197
76 HG2 PRO 12 1HG PRO 12 -8.431 -2.553 0.427
77 HG3 PRO 12 2HG PRO 12 -8.518 -2.544 2.177
78 HD2 PRO 12 1HD PRO 12 -6.569 -3.894 0.563
79 HD3 PRO 12 2HD PRO 12 -6.727 -3.979 2.306
80 H TYR 13 H TYR 13 -7.440 -5.630 -0.945
81 HA TYR 13 HA TYR 13 -9.449 -6.397 -2.956
82 HB2 TYR 13 1HB TYR 13 -6.716 -5.004 -3.242
83 HB3 TYR 13 2HB TYR 13 -7.901 -5.194 -4.519
84 HD1 TYR 13 1HD TYR 13 -9.946 -3.812 -4.557
85 HD2 TYR 13 2HD TYR 13 -6.956 -3.278 -1.545
86 HE1 TYR 13 1HE TYR 13 -10.950 -1.556 -3.950
87 HE2 TYR 13 2HE TYR 13 -7.970 -1.025 -0.947
88 HH TYR 13 HH TYR 13 -9.571 0.377 -1.305
89 H LYS 14 H LYS 14 -9.035 -8.176 -4.264
90 HA LYS 14 HA LYS 14 -6.446 -9.487 -3.859
91 HB2 LYS 14 1HB LYS 14 -7.838 -11.675 -3.958
92 HB3 LYS 14 2HB LYS 14 -7.719 -10.798 -2.445
93 HG2 LYS 14 1HG LYS 14 -10.050 -11.360 -2.740
94 HG3 LYS 14 2HG LYS 14 -9.909 -9.636 -3.020
95 HD2 LYS 14 1HD LYS 14 -9.527 -11.297 -5.460
96 HD3 LYS 14 2HD LYS 14 -11.124 -11.426 -4.750
97 HE2 LYS 14 1HE LYS 14 -10.864 -8.731 -4.627
98 HE3 LYS 14 2HE LYS 14 -9.771 -9.027 -5.965
99 HZ1 LYS 14 3HZ LYS 14 -12.625 -9.466 -5.817
100 HZ2 LYS 14 1HZ LYS 14 -11.723 -8.897 -7.053
101 HZ3 LYS 14 2HZ LYS 14 -11.763 -10.499 -6.742
102 H ASN 15 H ASN 15 -7.380 -7.667 -5.961
103 HA ASN 15 HA ASN 15 -7.883 -9.500 -8.139
104 HB2 ASN 15 1HB ASN 15 -8.864 -6.970 -7.602
105 HB3 ASN 15 2HB ASN 15 -7.542 -6.572 -8.682
106 HD21 ASN 15 1HD2 ASN 15 -10.167 -6.101 -9.338
107 HD22 ASN 15 2HD2 ASN 15 -10.661 -7.116 -10.652
108 H ASP 16 H ASP 16 -5.571 -6.994 -6.925
109 HA ASP 16 HA ASP 16 -3.430 -8.307 -8.214
110 HB2 ASP 16 1HB ASP 16 -4.714 -6.515 -9.853
111 HB3 ASP 16 2HB ASP 16 -3.580 -5.439 -9.061
112 H SER 17 H SER 17 -1.342 -7.394 -7.427
113 HA SER 17 HA SER 17 -1.614 -6.244 -4.882
114 HB2 SER 17 1HB SER 17 0.922 -6.197 -4.966
115 HB3 SER 17 2HB SER 17 0.206 -7.769 -5.262
116 HG SER 17 HG SER 17 0.961 -5.956 -7.388
117 H GLN 18 H GLN 18 -0.825 -5.039 -8.156
118 HA GLN 18 HA GLN 18 0.092 -2.534 -7.246
119 HB2 GLN 18 1HB GLN 18 -0.834 -3.527 -9.973
120 HB3 GLN 18 2HB GLN 18 -0.204 -1.913 -9.712
121 HG2 GLN 18 1HG GLN 18 1.946 -2.796 -8.947
122 HG3 GLN 18 2HG GLN 18 1.328 -4.436 -8.939
123 HE21 GLN 18 1HE2 GLN 18 3.608 -3.634 -10.317
124 HE22 GLN 18 2HE2 GLN 18 3.359 -3.803 -12.023
125 H LEU 19 H LEU 19 -3.048 -3.987 -7.795
126 HA LEU 19 HA LEU 19 -4.498 -1.649 -8.358
127 HB2 LEU 19 1HB LEU 19 -5.521 -3.654 -8.909
128 HB3 LEU 19 2HB LEU 19 -5.155 -4.397 -7.365
129 HG LEU 19 HG LEU 19 -7.582 -3.797 -7.823
130 HD11 LEU 19 1HD1 LEU 19 -6.411 -4.229 -5.549
131 HD12 LEU 19 2HD1 LEU 19 -6.613 -2.478 -5.300
132 HD13 LEU 19 3HD1 LEU 19 -8.039 -3.510 -5.568
133 HD21 LEU 19 3HD2 LEU 19 -8.027 -1.327 -7.051
134 HD22 LEU 19 1HD2 LEU 19 -6.387 -1.054 -7.686
135 HD23 LEU 19 2HD2 LEU 19 -7.659 -1.699 -8.752
136 H ALA 20 H ALA 20 -4.122 -3.506 -5.251
137 HA ALA 20 HA ALA 20 -5.393 -1.584 -3.685
138 HB1 ALA 20 3HB ALA 20 -5.213 -3.504 -2.485
139 HB2 ALA 20 1HB ALA 20 -3.723 -4.002 -3.321
140 HB3 ALA 20 2HB ALA 20 -3.642 -2.838 -1.977
141 H TRP 21 H TRP 21 -2.038 -1.908 -4.874
142 HA TRP 21 HA TRP 21 -0.927 0.019 -3.140
143 HB2 TRP 21 1HB TRP 21 0.599 -1.435 -4.092
144 HB3 TRP 21 2HB TRP 21 -0.096 -1.303 -5.695
145 HD1 TRP 21 HD TRP 21 0.350 1.275 -6.899
146 HE1 TRP 21 1HE TRP 21 2.506 2.798 -6.906
147 HE3 TRP 21 3HE TRP 21 2.508 -0.854 -2.816
148 HZ2 TRP 21 2HZ TRP 21 4.820 2.937 -5.242
149 HZ3 TRP 21 3HZ TRP 21 4.716 0.034 -2.074
150 HH2 TRP 21 HH TRP 21 5.868 1.863 -3.214
151 H ASP 22 H ASP 22 -2.492 0.081 -6.386
152 HA ASP 22 HA ASP 22 -1.880 2.717 -6.958
153 HB2 ASP 22 1HB ASP 22 -3.715 0.619 -7.943
154 HB3 ASP 22 2HB ASP 22 -4.383 2.227 -8.138
155 H THR 23 H THR 23 -3.923 1.296 -4.572
156 HA THR 23 HA THR 23 -5.811 3.510 -4.501
157 HB THR 23 HB THR 23 -5.636 0.712 -3.562
158 HG1 THR 23 1HG THR 23 -7.252 1.600 -5.015
159 HG21 THR 23 3HG2 THR 23 -7.328 1.301 -1.667
160 HG22 THR 23 1HG2 THR 23 -5.601 1.522 -1.296
161 HG23 THR 23 2HG2 THR 23 -6.610 2.930 -1.707
162 H CYS 24 H CYS 24 -3.267 2.024 -2.396
163 HA CYS 24 HA CYS 24 -3.482 4.253 -0.599
164 HB2 CYS 24 1HB CYS 24 -2.930 2.549 0.730
165 HB3 CYS 24 2HB CYS 24 -2.265 1.599 -0.583
166 H SER 25 H SER 25 -0.649 2.712 -2.295
167 HA SER 25 HA SER 25 0.686 5.223 -2.306
168 HB2 SER 25 1HB SER 25 2.141 3.480 -3.949
169 HB3 SER 25 2HB SER 25 2.413 3.766 -2.242
170 HG SER 25 HG SER 25 1.567 1.846 -1.743
171 H GLY 26 H GLY 26 -1.583 5.781 -3.648
172 HA2 GLY 26 1HA GLY 26 -0.791 5.731 -6.499
173 HA3 GLY 26 2HA GLY 26 -2.447 5.545 -5.957
174 H GLY 27 H GLY 27 -1.084 7.618 -3.721
175 HA2 GLY 27 1HA GLY 27 -0.609 9.935 -3.863
176 HA3 GLY 27 2HA GLY 27 -1.529 10.033 -5.352
177 H THR 28 H THR 28 -3.896 8.643 -4.711
178 HA THR 28 HA THR 28 -4.937 10.210 -2.443
179 HB THR 28 HB THR 28 -6.998 10.508 -3.815
180 HG1 THR 28 1HG THR 28 -6.964 8.713 -5.195
181 HG21 THR 28 3HG2 THR 28 -4.337 11.292 -5.063
182 HG22 THR 28 1HG2 THR 28 -5.862 11.646 -5.911
183 HG23 THR 28 2HG2 THR 28 -5.557 12.341 -4.301
184 H GLY 29 H GLY 29 -7.303 9.247 -1.928
185 HA2 GLY 29 1HA GLY 29 -8.572 7.343 -1.544
186 HA3 GLY 29 2HA GLY 29 -7.236 6.326 -2.045
187 H ASN 30 H ASN 30 -6.866 5.011 -0.279
188 HA ASN 30 HA ASN 30 -6.840 6.260 2.319
189 HB2 ASN 30 1HB ASN 30 -6.566 3.857 3.118
190 HB3 ASN 30 2HB ASN 30 -8.022 4.127 2.181
191 HD21 ASN 30 1HD2 ASN 30 -8.301 2.132 1.379
192 HD22 ASN 30 2HD2 ASN 30 -7.227 1.333 0.280
193 H CYS 31 H CYS 31 -4.733 7.032 0.481
194 HA CYS 31 HA CYS 31 -2.444 5.463 0.721
195 HB2 CYS 31 1HB CYS 31 -1.273 7.249 -0.229
196 HB3 CYS 31 2HB CYS 31 -2.878 7.315 -0.929
197 H GLY 32 H GLY 32 -0.943 5.265 2.384
198 HA2 GLY 32 1HA GLY 32 -0.325 7.210 4.274
199 HA3 GLY 32 2HA GLY 32 -1.597 6.223 4.965
200 H THR 33 H THR 33 0.467 5.908 6.465
201 HA THR 33 HA THR 33 2.324 3.951 5.408
202 HB THR 33 HB THR 33 1.996 5.237 8.172
203 HG1 THR 33 1HG THR 33 3.910 6.430 7.154
204 HG21 THR 33 3HG2 THR 33 4.437 4.656 8.374
205 HG22 THR 33 1HG2 THR 33 3.418 3.200 8.273
206 HG23 THR 33 2HG2 THR 33 4.326 3.751 6.845
207 H VAL 34 H VAL 34 -0.836 3.843 6.514
208 HA VAL 34 HA VAL 34 -0.615 1.535 8.173
209 HB VAL 34 HB VAL 34 -2.910 2.941 6.804
210 HG11 VAL 34 1HG1 VAL 34 -3.297 0.455 7.134
211 HG12 VAL 34 2HG1 VAL 34 -3.165 0.751 8.884
212 HG13 VAL 34 3HG1 VAL 34 -4.458 1.535 7.943
213 HG21 VAL 34 3HG2 VAL 34 -2.223 2.768 9.753
214 HG22 VAL 34 1HG2 VAL 34 -1.698 4.096 8.690
215 HG23 VAL 34 2HG2 VAL 34 -3.433 3.814 8.971
216 H CYS 35 H CYS 35 -1.322 2.218 4.710
217 HA CYS 35 HA CYS 35 -2.051 -0.384 4.041
218 HB2 CYS 35 1HB CYS 35 -2.469 0.583 2.103
219 HB3 CYS 35 2HB CYS 35 -1.797 2.074 2.735
220 H CYS 36 H CYS 36 0.939 0.997 5.066
221 HA CYS 36 HA CYS 36 2.810 -0.319 3.559
222 HB2 CYS 36 1HB CYS 36 4.332 0.358 5.098
223 HB3 CYS 36 2HB CYS 36 3.005 1.430 5.501
224 H GLY 37 H GLY 37 1.168 -1.351 6.639
225 HA2 GLY 37 1HA GLY 37 1.993 -4.128 6.038
226 HA3 GLY 37 2HA GLY 37 1.747 -3.473 7.645
227 H GLN 38 H GLN 38 -0.292 -2.938 4.707
228 HA GLN 38 HA GLN 38 -2.413 -4.346 6.133
229 HB2 GLN 38 1HB GLN 38 -2.444 -1.678 5.713
230 HB3 GLN 38 2HB GLN 38 -3.101 -2.180 4.167
231 HG2 GLN 38 1HG GLN 38 -5.002 -1.886 5.596
232 HG3 GLN 38 2HG GLN 38 -4.784 -3.621 5.467
233 HE21 GLN 38 1HE2 GLN 38 -6.173 -3.275 7.467
234 HE22 GLN 38 2HE2 GLN 38 -5.357 -3.210 8.993
235 H CYS 39 H CYS 39 -1.047 -3.362 2.936
236 HA CYS 39 HA CYS 39 -2.461 -5.655 1.784
237 HB2 CYS 39 1HB CYS 39 -1.670 -3.003 0.600
238 HB3 CYS 39 2HB CYS 39 -1.969 -4.398 -0.417
239 H PHE 40 H PHE 40 0.585 -4.017 2.489
240 HA PHE 40 HA PHE 40 1.992 -6.287 1.297
241 HB2 PHE 40 1HB PHE 40 3.177 -3.491 1.301
242 HB3 PHE 40 2HB PHE 40 3.481 -4.796 0.171
243 HD1 PHE 40 2HD PHE 40 1.111 -2.130 1.089
244 HD2 PHE 40 1HD PHE 40 2.158 -5.055 -1.803
245 HE1 PHE 40 2HE PHE 40 -0.489 -1.091 -0.542
246 HE2 PHE 40 1HE PHE 40 0.559 -4.015 -3.434
247 HZ PHE 40 HZ PHE 40 -0.746 -2.045 -2.784
248 H SER 41 H SER 41 4.576 -5.716 2.010
249 HA SER 41 HA SER 41 4.573 -4.847 4.742
250 HB2 SER 41 1HB SER 41 4.860 -7.719 3.921
251 HB3 SER 41 2HB SER 41 5.951 -7.143 5.165
252 HG SER 41 HG SER 41 4.345 -7.132 6.581
253 H PHE 42 H PHE 42 6.853 -4.635 5.585
254 HA PHE 42 HA PHE 42 8.513 -3.455 3.736
255 HB2 PHE 42 1HB PHE 42 8.365 -4.048 6.532
256 HB3 PHE 42 2HB PHE 42 9.891 -4.743 6.022
257 HD1 PHE 42 1HD PHE 42 7.952 -1.569 5.680
258 HD2 PHE 42 2HD PHE 42 11.765 -3.395 6.039
259 HE1 PHE 42 1HE PHE 42 9.024 0.696 5.806
260 HE2 PHE 42 2HE PHE 42 12.838 -1.130 6.165
261 HZ PHE 42 HZ PHE 42 11.455 0.889 6.047
262 HA PRO 43 HA PRO 43 10.653 -3.165 3.820
263 HB2 PRO 43 1HB PRO 43 12.381 -2.824 1.730
264 HB3 PRO 43 2HB PRO 43 12.889 -3.376 3.314
265 HG2 PRO 43 1HG PRO 43 12.566 -4.935 0.823
266 HG3 PRO 43 2HG PRO 43 13.458 -5.353 2.272
267 HD2 PRO 43 1HD PRO 43 10.896 -6.371 1.480
268 HD3 PRO 43 2HD PRO 43 11.735 -6.700 2.983
269 H VAL 44 H VAL 44 8.620 -4.573 1.851
270 HA VAL 44 HA VAL 44 8.360 -2.596 -0.169
271 HB VAL 44 HB VAL 44 6.158 -4.428 0.715
272 HG11 VAL 44 1HG1 VAL 44 5.519 -3.136 -1.131
273 HG12 VAL 44 2HG1 VAL 44 7.124 -3.252 -1.892
274 HG13 VAL 44 3HG1 VAL 44 6.051 -4.671 -1.859
275 HG21 VAL 44 3HG2 VAL 44 7.608 -5.939 -1.095
276 HG22 VAL 44 1HG2 VAL 44 8.869 -5.243 -0.048
277 HG23 VAL 44 2HG2 VAL 44 7.543 -6.192 0.666
278 H SER 45 H SER 45 6.928 -3.185 3.072
279 HA SER 45 HA SER 45 4.856 -1.446 2.967
280 HB2 SER 45 1HB SER 45 4.777 -2.406 5.022
281 HB3 SER 45 2HB SER 45 6.504 -2.701 5.039
282 HG SER 45 HG SER 45 5.872 -1.239 6.738
283 H GLN 46 H GLN 46 8.293 -0.781 2.878
284 HA GLN 46 HA GLN 46 8.084 1.866 3.863
285 HB2 GLN 46 1HB GLN 46 10.155 0.141 3.598
286 HB3 GLN 46 2HB GLN 46 10.382 1.046 2.115
287 HG2 GLN 46 1HG GLN 46 10.195 3.188 3.565
288 HG3 GLN 46 2HG GLN 46 10.334 2.136 4.960
289 HE21 GLN 46 1HE2 GLN 46 12.127 4.203 4.131
290 HE22 GLN 46 2HE2 GLN 46 13.679 3.496 3.829
291 H SER 47 H SER 47 7.836 0.242 0.710
292 HA SER 47 HA SER 47 8.127 2.637 -0.769
293 HB2 SER 47 1HB SER 47 6.765 0.125 -1.786
294 HB3 SER 47 2HB SER 47 7.711 1.290 -2.691
295 HG SER 47 HG SER 47 9.538 0.290 -2.140
296 H CYS 48 H CYS 48 5.440 0.714 0.615
297 HA CYS 48 HA CYS 48 3.355 1.892 -0.775
298 HB2 CYS 48 1HB CYS 48 2.651 0.049 0.340
299 HB3 CYS 48 2HB CYS 48 3.657 0.357 1.741
300 H ALA 49 H ALA 49 4.838 2.680 2.454
301 HA ALA 49 HA ALA 49 3.281 5.070 2.692
302 HB1 ALA 49 3HB ALA 49 4.331 5.274 4.808
303 HB2 ALA 49 1HB ALA 49 4.167 3.520 4.557
304 HB3 ALA 49 2HB ALA 49 5.739 4.312 4.297
305 H GLY 50 H GLY 50 5.748 4.248 0.637
306 HA2 GLY 50 1HA GLY 50 7.173 6.807 0.873
307 HA3 GLY 50 2HA GLY 50 7.678 5.398 -0.040
308 H MET 51 H MET 51 5.366 4.734 -1.501
309 HA MET 51 HA MET 51 5.408 6.893 -3.387
310 HB2 MET 51 1HB MET 51 5.623 4.399 -3.966
311 HB3 MET 51 2HB MET 51 3.949 4.195 -3.491
312 HG2 MET 51 1HG MET 51 3.377 4.740 -5.624
313 HG3 MET 51 2HG MET 51 3.861 6.384 -5.259
314 HE1 MET 51 3HE MET 51 3.808 5.139 -8.044
315 HE2 MET 51 1HE MET 51 4.540 6.758 -7.932
316 HE3 MET 51 2HE MET 51 5.385 5.457 -8.805
317 H ALA 52 H ALA 52 3.804 6.705 -0.631
318 HA ALA 52 HA ALA 52 1.111 7.084 -1.647
319 HB1 ALA 52 3HB ALA 52 1.103 5.816 0.316
320 HB2 ALA 52 1HB ALA 52 2.413 6.767 1.057
321 HB3 ALA 52 2HB ALA 52 0.776 7.454 0.933
322 H ASP 53 H ASP 53 3.177 8.948 -2.540
323 HA ASP 53 HA ASP 53 3.588 11.073 -2.718
324 HB2 ASP 53 1HB ASP 53 0.687 10.887 -2.163
325 HB3 ASP 53 2HB ASP 53 1.346 12.459 -1.758
326 H SER 54 H SER 54 3.343 13.387 -1.373
327 HA SER 54 HA SER 54 3.892 12.681 1.405
328 HB2 SER 54 1HB SER 54 5.467 14.156 -0.552
329 HB3 SER 54 2HB SER 54 5.098 15.194 0.811
330 HG SER 54 HG SER 54 6.678 12.842 0.698
331 H ASN 55 H ASN 55 3.278 15.712 -0.524
332 HA ASN 55 HA ASN 55 1.648 16.680 1.609
333 HB2 ASN 55 1HB ASN 55 3.253 17.901 -0.276
334 HB3 ASN 55 2HB ASN 55 1.683 18.112 -1.027
335 HD21 ASN 55 1HD2 ASN 55 3.656 19.930 0.351
336 HD22 ASN 55 2HD2 ASN 55 2.733 20.831 1.507
337 H ASP 56 H ASP 56 1.299 14.818 -1.298
338 HA ASP 56 HA ASP 56 -1.254 15.738 -2.044
339 HB2 ASP 56 1HB ASP 56 0.675 14.165 -3.208
340 HB3 ASP 56 2HB ASP 56 -0.448 12.927 -2.683
341 H CYS 57 H CYS 57 0.111 13.260 0.142
342 HA CYS 57 HA CYS 57 -2.256 11.775 0.469
343 HB2 CYS 57 1HB CYS 57 0.383 11.487 1.204
344 HB3 CYS 57 2HB CYS 57 -0.400 11.791 2.741
345 HA PRO 58 HA PRO 58 -4.318 14.437 3.236
346 HB2 PRO 58 1HB PRO 58 -6.057 12.699 4.430
347 HB3 PRO 58 2HB PRO 58 -6.337 13.400 2.849
348 HG2 PRO 58 1HG PRO 58 -5.487 10.653 3.534
349 HG3 PRO 58 2HG PRO 58 -6.174 11.248 2.035
350 HD2 PRO 58 1HD PRO 58 -3.418 10.628 2.534
351 HD3 PRO 58 2HD PRO 58 -4.086 11.332 1.075
352 H ASN 59 H ASN 59 -1.907 14.289 4.167
353 HA ASN 59 HA ASN 59 -2.033 13.061 6.755
354 HB2 ASN 59 1HB ASN 59 0.153 14.719 5.390
355 HB3 ASN 59 2HB ASN 59 0.349 13.911 6.932
356 HD21 ASN 59 1HD2 ASN 59 2.132 13.196 5.237
357 HD22 ASN 59 2HD2 ASN 59 1.850 11.653 4.500
358 H ALA 60 H ALA 60 -1.369 14.436 8.731
359 HA ALA 60 HA ALA 60 -1.403 17.231 8.633
360 HB1 ALA 60 3HB ALA 60 -3.582 17.822 9.214
361 HB2 ALA 60 1HB ALA 60 -3.871 16.499 8.059
362 HB3 ALA 60 2HB ALA 60 -3.978 16.192 9.809
Start of MODEL 4
1 H1 ASP 1 H ASP 1 10.560 -5.851 -6.842
2 HA ASP 1 HA ASP 1 8.051 -5.992 -7.526
3 HB2 ASP 1 1HB ASP 1 10.040 -7.851 -6.974
4 HB3 ASP 1 2HB ASP 1 8.792 -8.331 -5.841
5 H ILE 2 H ILE 2 6.032 -5.742 -6.536
6 HA ILE 2 HA ILE 2 6.006 -5.789 -3.604
7 HB ILE 2 HB ILE 2 4.498 -4.101 -3.607
8 HG12 ILE 2 1HG1 ILE 2 3.583 -4.928 -6.377
9 HG13 ILE 2 2HG1 ILE 2 2.766 -5.284 -4.869
10 HG21 ILE 2 1HG2 ILE 2 6.602 -3.368 -4.731
11 HG22 ILE 2 2HG2 ILE 2 5.785 -3.582 -6.298
12 HG23 ILE 2 3HG2 ILE 2 5.175 -2.383 -5.133
13 HD11 ILE 2 3HD1 ILE 2 2.678 -2.851 -6.471
14 HD12 ILE 2 1HD1 ILE 2 1.656 -3.324 -5.093
15 HD13 ILE 2 2HD1 ILE 2 3.199 -2.484 -4.809
16 H GLU 3 H GLU 3 4.525 -7.043 -6.604
17 HA GLU 3 HA GLU 3 2.327 -8.240 -5.517
18 HB2 GLU 3 1HB GLU 3 2.461 -9.793 -7.483
19 HB3 GLU 3 2HB GLU 3 2.656 -8.108 -7.921
20 HG2 GLU 3 1HG GLU 3 5.171 -9.606 -7.260
21 HG3 GLU 3 2HG GLU 3 4.362 -10.068 -8.744
22 H ASP 4 H ASP 4 5.751 -9.169 -5.372
23 HA ASP 4 HA ASP 4 5.252 -11.824 -4.589
24 HB2 ASP 4 1HB ASP 4 7.516 -10.135 -5.154
25 HB3 ASP 4 2HB ASP 4 7.777 -10.834 -3.569
26 H PHE 5 H PHE 5 4.935 -8.747 -3.073
27 HA PHE 5 HA PHE 5 5.113 -9.989 -0.418
28 HB2 PHE 5 1HB PHE 5 5.837 -7.276 -1.596
29 HB3 PHE 5 2HB PHE 5 5.328 -7.325 0.080
30 HD1 PHE 5 1HD PHE 5 7.915 -8.402 -2.295
31 HD2 PHE 5 2HD PHE 5 6.746 -8.259 1.781
32 HE1 PHE 5 1HE PHE 5 10.246 -9.029 -1.605
33 HE2 PHE 5 2HE PHE 5 9.077 -8.886 2.472
34 HZ PHE 5 HZ PHE 5 10.798 -9.264 0.770
35 H TYR 6 H TYR 6 2.869 -9.558 -2.590
36 HA TYR 6 HA TYR 6 1.080 -7.729 -1.308
37 HB2 TYR 6 1HB TYR 6 1.258 -8.389 -3.804
38 HB3 TYR 6 2HB TYR 6 0.682 -9.987 -3.370
39 HD1 TYR 6 1HD TYR 6 -0.640 -6.907 -1.803
40 HD2 TYR 6 2HD TYR 6 -1.277 -9.917 -4.776
41 HE1 TYR 6 1HE TYR 6 -3.041 -6.124 -2.092
42 HE2 TYR 6 2HE TYR 6 -3.676 -9.123 -5.055
43 HH TYR 6 HH TYR 6 -4.756 -6.363 -4.321
44 H THR 7 H THR 7 -0.490 -8.133 0.200
45 HA THR 7 HA THR 7 -0.840 -10.957 0.968
46 HB THR 7 HB THR 7 -1.093 -10.130 3.262
47 HG1 THR 7 1HG THR 7 -2.198 -8.127 2.482
48 HG21 THR 7 3HG2 THR 7 1.117 -8.326 2.234
49 HG22 THR 7 1HG2 THR 7 1.083 -9.324 3.708
50 HG23 THR 7 2HG2 THR 7 1.322 -10.091 2.119
51 H SER 8 H SER 8 -2.532 -11.328 -0.530
52 HA SER 8 HA SER 8 -4.745 -9.598 -0.600
53 HB2 SER 8 1HB SER 8 -4.266 -10.974 -2.527
54 HB3 SER 8 2HB SER 8 -4.283 -12.444 -1.572
55 HG SER 8 HG SER 8 -6.270 -12.285 -2.681
56 H GLU 9 H GLU 9 -3.626 -11.600 1.835
57 HA GLU 9 HA GLU 9 -6.064 -12.825 2.576
58 HB2 GLU 9 1HB GLU 9 -3.366 -13.111 3.265
59 HB3 GLU 9 2HB GLU 9 -4.080 -12.462 4.728
60 HG2 GLU 9 1HG GLU 9 -5.505 -14.714 3.298
61 HG3 GLU 9 2HG GLU 9 -4.082 -15.092 4.249
62 H THR 10 H THR 10 -4.108 -10.059 3.899
63 HA THR 10 HA THR 10 -6.416 -9.257 5.496
64 HB THR 10 HB THR 10 -4.331 -9.298 6.707
65 HG1 THR 10 1HG THR 10 -5.079 -7.293 7.299
66 HG21 THR 10 3HG2 THR 10 -2.511 -9.300 5.220
67 HG22 THR 10 1HG2 THR 10 -3.245 -8.067 4.166
68 HG23 THR 10 2HG2 THR 10 -2.506 -7.589 5.714
69 H CYS 11 H CYS 11 -4.705 -8.452 2.529
70 HA CYS 11 HA CYS 11 -5.516 -5.789 2.352
71 HB2 CYS 11 1HB CYS 11 -3.735 -6.869 0.994
72 HB3 CYS 11 2HB CYS 11 -4.970 -7.732 0.099
73 HA PRO 12 HA PRO 12 -9.748 -6.448 1.483
74 HB2 PRO 12 1HB PRO 12 -10.447 -3.913 0.739
75 HB3 PRO 12 2HB PRO 12 -10.327 -4.423 2.412
76 HG2 PRO 12 1HG PRO 12 -8.463 -2.744 0.848
77 HG3 PRO 12 2HG PRO 12 -8.592 -2.912 2.587
78 HD2 PRO 12 1HD PRO 12 -6.600 -4.090 0.892
79 HD3 PRO 12 2HD PRO 12 -6.799 -4.352 2.613
80 H TYR 13 H TYR 13 -7.404 -6.024 -0.750
81 HA TYR 13 HA TYR 13 -9.375 -6.309 -2.919
82 HB2 TYR 13 1HB TYR 13 -6.499 -5.206 -2.788
83 HB3 TYR 13 2HB TYR 13 -7.402 -5.360 -4.282
84 HD1 TYR 13 2HD TYR 13 -9.579 -4.016 -4.524
85 HD2 TYR 13 1HD TYR 13 -6.711 -3.279 -1.436
86 HE1 TYR 13 2HE TYR 13 -10.549 -1.694 -4.168
87 HE2 TYR 13 1HE TYR 13 -7.691 -0.959 -1.090
88 HH TYR 13 HH TYR 13 -9.023 0.574 -1.936
89 H LYS 14 H LYS 14 -9.283 -8.144 -4.150
90 HA LYS 14 HA LYS 14 -6.894 -9.816 -3.802
91 HB2 LYS 14 1HB LYS 14 -8.619 -11.746 -4.120
92 HB3 LYS 14 2HB LYS 14 -8.400 -11.017 -2.541
93 HG2 LYS 14 1HG LYS 14 -10.777 -11.138 -2.890
94 HG3 LYS 14 2HG LYS 14 -10.347 -9.451 -3.087
95 HD2 LYS 14 1HD LYS 14 -10.174 -11.010 -5.606
96 HD3 LYS 14 2HD LYS 14 -11.787 -10.970 -4.923
97 HE2 LYS 14 1HE LYS 14 -11.238 -8.355 -4.636
98 HE3 LYS 14 2HE LYS 14 -10.090 -8.679 -5.919
99 HZ1 LYS 14 3HZ LYS 14 -12.925 -8.578 -6.036
100 HZ2 LYS 14 1HZ LYS 14 -11.831 -8.434 -7.240
101 HZ3 LYS 14 2HZ LYS 14 -12.325 -9.914 -6.759
102 H ASN 15 H ASN 15 -7.353 -7.773 -5.815
103 HA ASN 15 HA ASN 15 -7.963 -9.421 -8.128
104 HB2 ASN 15 1HB ASN 15 -8.817 -6.870 -7.491
105 HB3 ASN 15 2HB ASN 15 -7.413 -6.495 -8.471
106 HD21 ASN 15 1HD2 ASN 15 -9.094 -5.561 -9.850
107 HD22 ASN 15 2HD2 ASN 15 -9.874 -6.553 -11.036
108 H ASP 16 H ASP 16 -5.663 -6.860 -6.921
109 HA ASP 16 HA ASP 16 -3.453 -8.328 -7.888
110 HB2 ASP 16 1HB ASP 16 -4.669 -6.439 -9.675
111 HB3 ASP 16 2HB ASP 16 -3.183 -5.703 -9.108
112 H SER 17 H SER 17 -1.377 -7.188 -7.224
113 HA SER 17 HA SER 17 -1.755 -5.857 -4.787
114 HB2 SER 17 1HB SER 17 0.752 -5.662 -4.818
115 HB3 SER 17 2HB SER 17 0.175 -7.293 -5.099
116 HG SER 17 HG SER 17 1.922 -6.239 -6.581
117 H GLN 18 H GLN 18 -1.141 -4.852 -8.148
118 HA GLN 18 HA GLN 18 -0.254 -2.277 -7.562
119 HB2 GLN 18 1HB GLN 18 -1.606 -3.444 -10.031
120 HB3 GLN 18 2HB GLN 18 -0.942 -1.823 -9.977
121 HG2 GLN 18 1HG GLN 18 1.298 -2.622 -9.663
122 HG3 GLN 18 2HG GLN 18 0.755 -4.224 -9.202
123 HE21 GLN 18 1HE2 GLN 18 1.591 -2.098 -11.747
124 HE22 GLN 18 2HE2 GLN 18 1.361 -3.166 -13.091
125 H LEU 19 H LEU 19 -3.415 -3.794 -7.506
126 HA LEU 19 HA LEU 19 -4.929 -1.430 -7.900
127 HB2 LEU 19 1HB LEU 19 -5.768 -3.689 -8.338
128 HB3 LEU 19 2HB LEU 19 -5.654 -4.076 -6.633
129 HG LEU 19 HG LEU 19 -7.310 -2.220 -6.186
130 HD11 LEU 19 1HD1 LEU 19 -6.915 -1.022 -8.340
131 HD12 LEU 19 2HD1 LEU 19 -7.786 -2.331 -9.175
132 HD13 LEU 19 3HD1 LEU 19 -8.631 -1.324 -7.974
133 HD21 LEU 19 3HD2 LEU 19 -8.245 -4.313 -5.985
134 HD22 LEU 19 1HD2 LEU 19 -9.253 -3.603 -7.270
135 HD23 LEU 19 2HD2 LEU 19 -7.945 -4.735 -7.688
136 H ALA 20 H ALA 20 -4.424 -3.439 -4.908
137 HA ALA 20 HA ALA 20 -5.408 -1.542 -3.159
138 HB1 ALA 20 3HB ALA 20 -4.732 -3.028 -1.535
139 HB2 ALA 20 1HB ALA 20 -4.613 -4.096 -2.954
140 HB3 ALA 20 2HB ALA 20 -3.151 -3.316 -2.302
141 H TRP 21 H TRP 21 -2.209 -1.886 -4.705
142 HA TRP 21 HA TRP 21 -0.944 0.019 -3.003
143 HB2 TRP 21 1HB TRP 21 0.487 -1.551 -3.946
144 HB3 TRP 21 2HB TRP 21 -0.222 -1.407 -5.541
145 HD1 TRP 21 HD TRP 21 0.416 0.995 -6.891
146 HE1 TRP 21 1HE TRP 21 2.607 2.466 -6.905
147 HE3 TRP 21 3HE TRP 21 2.315 -0.854 -2.552
148 HZ2 TRP 21 2HZ TRP 21 4.838 2.686 -5.140
149 HZ3 TRP 21 3HZ TRP 21 4.504 0.043 -1.767
150 HH2 TRP 21 HH TRP 21 5.757 1.752 -2.985
151 H ASP 22 H ASP 22 -2.576 -0.010 -6.219
152 HA ASP 22 HA ASP 22 -1.909 2.593 -6.894
153 HB2 ASP 22 1HB ASP 22 -2.750 1.217 -8.637
154 HB3 ASP 22 2HB ASP 22 -4.110 0.667 -7.679
155 H THR 23 H THR 23 -3.913 1.321 -4.414
156 HA THR 23 HA THR 23 -5.838 3.492 -4.434
157 HB THR 23 HB THR 23 -5.464 0.825 -3.152
158 HG1 THR 23 1HG THR 23 -7.244 0.987 -4.492
159 HG21 THR 23 3HG2 THR 23 -5.629 1.832 -1.018
160 HG22 THR 23 1HG2 THR 23 -6.517 3.241 -1.648
161 HG23 THR 23 2HG2 THR 23 -7.346 1.676 -1.464
162 H CYS 24 H CYS 24 -3.400 2.219 -2.060
163 HA CYS 24 HA CYS 24 -3.515 4.702 -0.650
164 HB2 CYS 24 1HB CYS 24 -3.022 3.233 0.943
165 HB3 CYS 24 2HB CYS 24 -2.462 2.032 -0.204
166 H SER 25 H SER 25 -0.775 2.818 -2.151
167 HA SER 25 HA SER 25 0.744 5.200 -2.390
168 HB2 SER 25 1HB SER 25 2.056 3.289 -3.918
169 HB3 SER 25 2HB SER 25 2.312 3.573 -2.208
170 HG SER 25 HG SER 25 1.478 1.652 -1.795
171 H GLY 26 H GLY 26 -1.481 5.888 -3.718
172 HA2 GLY 26 1HA GLY 26 -0.723 5.661 -6.566
173 HA3 GLY 26 2HA GLY 26 -2.383 5.480 -6.034
174 H GLY 27 H GLY 27 -0.708 7.673 -3.991
175 HA2 GLY 27 1HA GLY 27 -0.355 9.964 -4.170
176 HA3 GLY 27 2HA GLY 27 -1.275 10.010 -5.661
177 H THR 28 H THR 28 -3.531 8.354 -4.602
178 HA THR 28 HA THR 28 -4.604 10.178 -2.564
179 HB THR 28 HB THR 28 -6.689 10.346 -3.879
180 HG1 THR 28 1HG THR 28 -5.123 8.772 -5.797
181 HG21 THR 28 3HG2 THR 28 -4.123 10.884 -5.440
182 HG22 THR 28 1HG2 THR 28 -5.723 11.238 -6.135
183 HG23 THR 28 2HG2 THR 28 -5.195 12.066 -4.651
184 H GLY 29 H GLY 29 -7.248 8.804 -2.832
185 HA2 GLY 29 1HA GLY 29 -8.305 6.950 -2.088
186 HA3 GLY 29 2HA GLY 29 -6.827 6.032 -2.294
187 H ASN 30 H ASN 30 -6.522 4.977 -0.358
188 HA ASN 30 HA ASN 30 -6.815 6.598 2.037
189 HB2 ASN 30 1HB ASN 30 -6.804 4.331 3.214
190 HB3 ASN 30 2HB ASN 30 -8.156 4.566 2.124
191 HD21 ASN 30 1HD2 ASN 30 -8.580 2.555 1.497
192 HD22 ASN 30 2HD2 ASN 30 -7.493 1.497 0.661
193 H CYS 31 H CYS 31 -4.502 7.066 0.477
194 HA CYS 31 HA CYS 31 -2.361 5.382 0.997
195 HB2 CYS 31 1HB CYS 31 -1.076 6.929 -0.049
196 HB3 CYS 31 2HB CYS 31 -2.656 7.420 -0.627
197 H GLY 32 H GLY 32 -0.890 5.259 2.735
198 HA2 GLY 32 1HA GLY 32 -0.511 7.201 4.697
199 HA3 GLY 32 2HA GLY 32 -1.776 6.132 5.271
200 H THR 33 H THR 33 0.127 5.843 6.937
201 HA THR 33 HA THR 33 2.198 4.047 5.988
202 HB THR 33 HB THR 33 1.548 5.161 8.768
203 HG1 THR 33 1HG THR 33 3.193 6.715 8.046
204 HG21 THR 33 3HG2 THR 33 4.069 3.927 7.540
205 HG22 THR 33 1HG2 THR 33 4.034 4.796 9.093
206 HG23 THR 33 2HG2 THR 33 3.134 3.272 8.906
207 H VAL 34 H VAL 34 -1.042 3.730 6.834
208 HA VAL 34 HA VAL 34 -0.731 1.272 8.304
209 HB VAL 34 HB VAL 34 -3.114 2.761 7.193
210 HG11 VAL 34 1HG1 VAL 34 -3.238 0.453 9.145
211 HG12 VAL 34 2HG1 VAL 34 -4.566 1.224 8.244
212 HG13 VAL 34 3HG1 VAL 34 -3.373 0.219 7.386
213 HG21 VAL 34 3HG2 VAL 34 -2.162 2.412 10.056
214 HG22 VAL 34 1HG2 VAL 34 -1.894 3.862 9.058
215 HG23 VAL 34 2HG2 VAL 34 -3.550 3.379 9.500
216 H CYS 35 H CYS 35 -1.347 2.387 4.968
217 HA CYS 35 HA CYS 35 -2.234 -0.054 3.959
218 HB2 CYS 35 1HB CYS 35 -2.544 1.213 2.182
219 HB3 CYS 35 2HB CYS 35 -1.703 2.530 2.974
220 H CYS 36 H CYS 36 0.853 1.067 5.120
221 HA CYS 36 HA CYS 36 2.617 -0.300 3.520
222 HB2 CYS 36 1HB CYS 36 2.814 0.213 6.495
223 HB3 CYS 36 2HB CYS 36 4.144 -0.247 5.452
224 H GLY 37 H GLY 37 1.832 -1.393 6.889
225 HA2 GLY 37 1HA GLY 37 2.221 -4.153 6.098
226 HA3 GLY 37 2HA GLY 37 1.948 -3.525 7.710
227 H GLN 38 H GLN 38 0.047 -3.190 4.629
228 HA GLN 38 HA GLN 38 -2.176 -4.385 6.094
229 HB2 GLN 38 1HB GLN 38 -2.028 -1.775 5.097
230 HB3 GLN 38 2HB GLN 38 -2.933 -2.619 3.856
231 HG2 GLN 38 1HG GLN 38 -4.586 -3.394 5.480
232 HG3 GLN 38 2HG GLN 38 -3.617 -2.821 6.823
233 HE21 GLN 38 1HE2 GLN 38 -5.436 -1.619 7.498
234 HE22 GLN 38 2HE2 GLN 38 -5.841 -0.094 6.784
235 H CYS 39 H CYS 39 -1.052 -3.586 2.722
236 HA CYS 39 HA CYS 39 -2.121 -6.194 1.926
237 HB2 CYS 39 1HB CYS 39 -1.643 -3.753 0.203
238 HB3 CYS 39 2HB CYS 39 -2.286 -5.290 -0.340
239 H PHE 40 H PHE 40 0.679 -4.302 2.569
240 HA PHE 40 HA PHE 40 2.312 -6.274 1.155
241 HB2 PHE 40 1HB PHE 40 3.161 -3.369 1.447
242 HB3 PHE 40 2HB PHE 40 3.634 -4.515 0.208
243 HD1 PHE 40 2HD PHE 40 2.097 -5.009 -1.672
244 HD2 PHE 40 1HD PHE 40 1.213 -2.003 1.190
245 HE1 PHE 40 2HE PHE 40 0.391 -4.028 -3.230
246 HE2 PHE 40 1HE PHE 40 -0.493 -1.022 -0.368
247 HZ PHE 40 HZ PHE 40 -0.884 -2.047 -2.559
248 H SER 41 H SER 41 4.751 -5.941 1.952
249 HA SER 41 HA SER 41 4.760 -5.146 4.729
250 HB2 SER 41 1HB SER 41 5.181 -7.946 3.704
251 HB3 SER 41 2HB SER 41 6.185 -7.408 5.036
252 HG SER 41 HG SER 41 3.986 -6.675 5.991
253 H PHE 42 H PHE 42 7.048 -4.960 5.583
254 HA PHE 42 HA PHE 42 8.661 -3.577 3.841
255 HB2 PHE 42 1HB PHE 42 8.570 -4.470 6.568
256 HB3 PHE 42 2HB PHE 42 10.115 -5.035 5.964
257 HD1 PHE 42 1HD PHE 42 8.029 -1.985 6.320
258 HD2 PHE 42 2HD PHE 42 11.931 -3.563 5.775
259 HE1 PHE 42 1HE PHE 42 9.004 0.301 6.675
260 HE2 PHE 42 2HE PHE 42 12.905 -1.278 6.130
261 HZ PHE 42 HZ PHE 42 11.430 0.627 6.576
262 HA PRO 43 HA PRO 43 10.761 -3.223 3.859
263 HB2 PRO 43 1HB PRO 43 12.395 -2.649 1.745
264 HB3 PRO 43 2HB PRO 43 12.983 -3.304 3.260
265 HG2 PRO 43 1HG PRO 43 12.624 -4.672 0.664
266 HG3 PRO 43 2HG PRO 43 13.584 -5.169 2.043
267 HD2 PRO 43 1HD PRO 43 11.033 -6.221 1.261
268 HD3 PRO 43 2HD PRO 43 11.940 -6.634 2.703
269 H VAL 44 H VAL 44 8.753 -4.570 1.787
270 HA VAL 44 HA VAL 44 8.331 -2.432 -0.023
271 HB VAL 44 HB VAL 44 6.234 -4.431 0.738
272 HG11 VAL 44 1HG1 VAL 44 5.542 -2.981 -0.987
273 HG12 VAL 44 2HG1 VAL 44 7.124 -3.050 -1.801
274 HG13 VAL 44 3HG1 VAL 44 6.049 -4.469 -1.822
275 HG21 VAL 44 3HG2 VAL 44 7.698 -5.743 -1.197
276 HG22 VAL 44 1HG2 VAL 44 8.964 -5.060 -0.150
277 HG23 VAL 44 2HG2 VAL 44 7.710 -6.115 0.543
278 H SER 45 H SER 45 7.083 -3.341 3.210
279 HA SER 45 HA SER 45 4.903 -1.727 3.314
280 HB2 SER 45 1HB SER 45 5.032 -2.979 5.229
281 HB3 SER 45 2HB SER 45 6.784 -2.929 5.271
282 HG SER 45 HG SER 45 6.615 -0.697 6.063
283 H GLN 46 H GLN 46 8.239 -0.840 2.996
284 HA GLN 46 HA GLN 46 7.837 1.754 4.173
285 HB2 GLN 46 1HB GLN 46 9.990 0.447 4.429
286 HB3 GLN 46 2HB GLN 46 10.276 0.650 2.712
287 HG2 GLN 46 1HG GLN 46 11.231 2.658 3.148
288 HG3 GLN 46 2HG GLN 46 9.668 3.255 3.668
289 HE21 GLN 46 1HE2 GLN 46 12.802 2.259 4.582
290 HE22 GLN 46 2HE2 GLN 46 12.680 2.476 6.296
291 H SER 47 H SER 47 7.722 0.146 1.050
292 HA SER 47 HA SER 47 8.164 2.489 -0.466
293 HB2 SER 47 1HB SER 47 8.409 -0.038 -1.138
294 HB3 SER 47 2HB SER 47 6.688 0.033 -1.462
295 HG SER 47 HG SER 47 8.699 0.834 -3.062
296 H CYS 48 H CYS 48 5.333 0.720 0.851
297 HA CYS 48 HA CYS 48 3.331 1.911 -0.587
298 HB2 CYS 48 1HB CYS 48 2.527 0.230 0.698
299 HB3 CYS 48 2HB CYS 48 3.555 0.612 2.064
300 H ALA 49 H ALA 49 4.424 2.860 2.762
301 HA ALA 49 HA ALA 49 3.106 5.311 2.752
302 HB1 ALA 49 3HB ALA 49 5.189 3.917 4.357
303 HB2 ALA 49 1HB ALA 49 5.150 5.690 4.508
304 HB3 ALA 49 2HB ALA 49 3.696 4.733 4.880
305 H GLY 50 H GLY 50 5.888 4.228 1.010
306 HA2 GLY 50 1HA GLY 50 7.207 6.786 0.851
307 HA3 GLY 50 2HA GLY 50 7.585 5.323 -0.037
308 H MET 51 H MET 51 5.322 4.666 -1.434
309 HA MET 51 HA MET 51 5.228 6.835 -3.304
310 HB2 MET 51 1HB MET 51 5.488 4.305 -3.841
311 HB3 MET 51 2HB MET 51 3.797 4.127 -3.417
312 HG2 MET 51 1HG MET 51 3.468 4.543 -5.658
313 HG3 MET 51 2HG MET 51 3.583 6.218 -5.158
314 HE1 MET 51 3HE MET 51 6.328 7.702 -5.780
315 HE2 MET 51 1HE MET 51 5.805 7.499 -7.469
316 HE3 MET 51 2HE MET 51 4.593 7.644 -6.174
317 H ALA 52 H ALA 52 3.756 6.699 -0.517
318 HA ALA 52 HA ALA 52 1.001 6.911 -1.411
319 HB1 ALA 52 3HB ALA 52 0.678 6.056 0.640
320 HB2 ALA 52 1HB ALA 52 2.406 6.240 1.027
321 HB3 ALA 52 2HB ALA 52 1.277 7.581 1.335
322 H ASP 53 H ASP 53 2.906 8.820 -2.503
323 HA ASP 53 HA ASP 53 3.139 10.947 -2.850
324 HB2 ASP 53 1HB ASP 53 0.364 10.629 -2.011
325 HB3 ASP 53 2HB ASP 53 0.953 12.197 -1.495
326 H SER 54 H SER 54 3.434 13.197 -1.702
327 HA SER 54 HA SER 54 4.388 12.640 0.976
328 HB2 SER 54 1HB SER 54 5.242 14.367 -1.250
329 HB3 SER 54 2HB SER 54 5.196 15.236 0.271
330 HG SER 54 HG SER 54 6.743 13.916 1.142
331 H ASN 55 H ASN 55 3.439 15.832 -0.394
332 HA ASN 55 HA ASN 55 1.613 16.080 1.851
333 HB2 ASN 55 1HB ASN 55 3.626 17.777 0.988
334 HB3 ASN 55 2HB ASN 55 2.241 18.479 0.175
335 HD21 ASN 55 1HD2 ASN 55 3.955 18.152 3.069
336 HD22 ASN 55 2HD2 ASN 55 2.871 18.961 4.150
337 H ASP 56 H ASP 56 1.736 15.395 -1.474
338 HA ASP 56 HA ASP 56 -0.418 16.972 -2.361
339 HB2 ASP 56 1HB ASP 56 0.437 14.318 -3.572
340 HB3 ASP 56 2HB ASP 56 -0.255 15.700 -4.397
341 H CYS 57 H CYS 57 -0.032 13.997 -0.546
342 HA CYS 57 HA CYS 57 -2.512 12.829 -1.297
343 HB2 CYS 57 1HB CYS 57 -0.209 12.045 0.139
344 HB3 CYS 57 2HB CYS 57 -1.550 11.914 1.259
345 HA PRO 58 HA PRO 58 -5.024 14.990 1.530
346 HB2 PRO 58 1HB PRO 58 -7.018 13.191 2.036
347 HB3 PRO 58 2HB PRO 58 -6.955 14.169 0.583
348 HG2 PRO 58 1HG PRO 58 -6.343 11.295 0.912
349 HG3 PRO 58 2HG PRO 58 -6.698 12.181 -0.558
350 HD2 PRO 58 1HD PRO 58 -4.117 11.307 0.338
351 HD3 PRO 58 2HD PRO 58 -4.460 12.291 -1.071
352 H ASN 59 H ASN 59 -2.826 14.462 2.841
353 HA ASN 59 HA ASN 59 -3.602 12.911 5.140
354 HB2 ASN 59 1HB ASN 59 -1.017 14.134 4.120
355 HB3 ASN 59 2HB ASN 59 -1.133 13.702 5.814
356 HD21 ASN 59 1HD2 ASN 59 0.675 12.303 5.020
357 HD22 ASN 59 2HD2 ASN 59 0.290 10.708 4.467
358 H ALA 60 H ALA 60 -2.991 13.948 7.382
359 HA ALA 60 HA ALA 60 -3.677 15.489 8.856
360 HB1 ALA 60 3HB ALA 60 -1.310 16.060 8.298
361 HB2 ALA 60 1HB ALA 60 -1.904 17.233 7.099
362 HB3 ALA 60 2HB ALA 60 -2.254 17.472 8.827
Start of MODEL 5
1 H1 ASP 1 H ASP 1 10.551 -6.692 -7.200
2 HA ASP 1 HA ASP 1 7.959 -6.430 -7.922
3 HB2 ASP 1 1HB ASP 1 9.065 -8.850 -6.433
4 HB3 ASP 1 2HB ASP 1 7.784 -8.846 -7.628
5 H ILE 2 H ILE 2 6.116 -5.891 -6.739
6 HA ILE 2 HA ILE 2 6.297 -6.086 -3.832
7 HB ILE 2 HB ILE 2 4.854 -4.340 -3.700
8 HG12 ILE 2 1HG1 ILE 2 3.714 -5.102 -6.404
9 HG13 ILE 2 2HG1 ILE 2 2.982 -5.411 -4.842
10 HG21 ILE 2 1HG2 ILE 2 5.978 -3.841 -6.466
11 HG22 ILE 2 2HG2 ILE 2 5.504 -2.632 -5.249
12 HG23 ILE 2 3HG2 ILE 2 6.908 -3.685 -4.957
13 HD11 ILE 2 3HD1 ILE 2 3.488 -2.674 -4.720
14 HD12 ILE 2 1HD1 ILE 2 3.042 -2.920 -6.426
15 HD13 ILE 2 2HD1 ILE 2 1.923 -3.416 -5.133
16 H GLU 3 H GLU 3 4.609 -7.349 -6.691
17 HA GLU 3 HA GLU 3 2.408 -8.407 -5.455
18 HB2 GLU 3 1HB GLU 3 2.787 -8.298 -7.922
19 HB3 GLU 3 2HB GLU 3 3.988 -9.568 -7.793
20 HG2 GLU 3 1HG GLU 3 2.412 -11.226 -7.522
21 HG3 GLU 3 2HG GLU 3 1.370 -10.224 -6.531
22 H ASP 4 H ASP 4 5.793 -9.443 -5.418
23 HA ASP 4 HA ASP 4 5.254 -12.074 -4.586
24 HB2 ASP 4 1HB ASP 4 7.545 -10.430 -5.208
25 HB3 ASP 4 2HB ASP 4 7.825 -11.156 -3.637
26 H PHE 5 H PHE 5 4.786 -9.070 -3.111
27 HA PHE 5 HA PHE 5 5.099 -10.252 -0.443
28 HB2 PHE 5 1HB PHE 5 5.852 -7.571 -1.666
29 HB3 PHE 5 2HB PHE 5 5.328 -7.568 0.007
30 HD1 PHE 5 1HD PHE 5 7.919 -8.744 -2.318
31 HD2 PHE 5 2HD PHE 5 6.720 -8.477 1.744
32 HE1 PHE 5 1HE PHE 5 10.234 -9.385 -1.592
33 HE2 PHE 5 2HE PHE 5 9.035 -9.118 2.470
34 HZ PHE 5 HZ PHE 5 10.765 -9.564 0.794
35 H TYR 6 H TYR 6 2.820 -9.846 -2.570
36 HA TYR 6 HA TYR 6 1.066 -7.984 -1.277
37 HB2 TYR 6 1HB TYR 6 1.237 -8.708 -3.779
38 HB3 TYR 6 2HB TYR 6 0.564 -10.253 -3.299
39 HD1 TYR 6 2HD TYR 6 -0.505 -6.981 -1.903
40 HD2 TYR 6 1HD TYR 6 -1.440 -10.171 -4.596
41 HE1 TYR 6 2HE TYR 6 -2.854 -6.054 -2.196
42 HE2 TYR 6 1HE TYR 6 -3.786 -9.233 -4.880
43 HH TYR 6 HH TYR 6 -4.618 -6.198 -4.107
44 H THR 7 H THR 7 -0.490 -8.372 0.251
45 HA THR 7 HA THR 7 -0.942 -11.197 0.959
46 HB THR 7 HB THR 7 -0.790 -10.595 3.271
47 HG1 THR 7 1HG THR 7 -1.115 -7.949 2.069
48 HG21 THR 7 3HG2 THR 7 1.135 -8.558 2.066
49 HG22 THR 7 1HG2 THR 7 1.331 -9.502 3.562
50 HG23 THR 7 2HG2 THR 7 1.463 -10.306 1.979
51 H SER 8 H SER 8 -2.790 -11.399 -0.339
52 HA SER 8 HA SER 8 -4.817 -9.480 -0.280
53 HB2 SER 8 1HB SER 8 -5.110 -10.778 -2.142
54 HB3 SER 8 2HB SER 8 -4.396 -12.194 -1.396
55 HG SER 8 HG SER 8 -6.526 -12.755 -1.602
56 H GLU 9 H GLU 9 -3.718 -11.617 2.107
57 HA GLU 9 HA GLU 9 -6.169 -12.494 3.143
58 HB2 GLU 9 1HB GLU 9 -3.486 -13.026 3.620
59 HB3 GLU 9 2HB GLU 9 -3.947 -12.166 5.076
60 HG2 GLU 9 1HG GLU 9 -6.083 -13.798 4.948
61 HG3 GLU 9 2HG GLU 9 -4.984 -14.792 4.012
62 H THR 10 H THR 10 -3.986 -9.706 3.878
63 HA THR 10 HA THR 10 -6.032 -8.665 5.703
64 HB THR 10 HB THR 10 -3.856 -8.744 6.723
65 HG1 THR 10 1HG THR 10 -4.575 -6.648 7.107
66 HG21 THR 10 3HG2 THR 10 -2.934 -7.943 3.972
67 HG22 THR 10 1HG2 THR 10 -2.043 -7.251 5.349
68 HG23 THR 10 2HG2 THR 10 -2.151 -9.017 5.155
69 H CYS 11 H CYS 11 -4.531 -8.184 2.546
70 HA CYS 11 HA CYS 11 -5.233 -5.502 2.232
71 HB2 CYS 11 1HB CYS 11 -3.638 -6.932 0.841
72 HB3 CYS 11 2HB CYS 11 -5.058 -7.529 0.005
73 HA PRO 12 HA PRO 12 -9.541 -6.004 1.708
74 HB2 PRO 12 1HB PRO 12 -10.176 -3.507 0.797
75 HB3 PRO 12 2HB PRO 12 -9.956 -3.880 2.495
76 HG2 PRO 12 1HG PRO 12 -8.137 -2.438 0.664
77 HG3 PRO 12 2HG PRO 12 -8.145 -2.453 2.416
78 HD2 PRO 12 1HD PRO 12 -6.341 -3.872 0.695
79 HD3 PRO 12 2HD PRO 12 -6.424 -3.977 2.443
80 H TYR 13 H TYR 13 -7.352 -5.695 -0.759
81 HA TYR 13 HA TYR 13 -9.488 -6.300 -2.693
82 HB2 TYR 13 1HB TYR 13 -6.734 -4.980 -3.102
83 HB3 TYR 13 2HB TYR 13 -7.983 -5.128 -4.322
84 HD1 TYR 13 2HD TYR 13 -10.005 -3.704 -4.235
85 HD2 TYR 13 1HD TYR 13 -6.831 -3.249 -1.404
86 HE1 TYR 13 2HE TYR 13 -10.918 -1.427 -3.568
87 HE2 TYR 13 1HE TYR 13 -7.754 -0.974 -0.745
88 HH TYR 13 HH TYR 13 -10.784 0.001 -1.409
89 H LYS 14 H LYS 14 -9.188 -8.075 -4.038
90 HA LYS 14 HA LYS 14 -6.633 -9.482 -3.730
91 HB2 LYS 14 1HB LYS 14 -8.126 -11.606 -3.882
92 HB3 LYS 14 2HB LYS 14 -7.932 -10.790 -2.344
93 HG2 LYS 14 1HG LYS 14 -10.291 -11.221 -2.589
94 HG3 LYS 14 2HG LYS 14 -10.076 -9.500 -2.842
95 HD2 LYS 14 1HD LYS 14 -9.829 -11.126 -5.322
96 HD3 LYS 14 2HD LYS 14 -11.412 -11.204 -4.574
97 HE2 LYS 14 1HE LYS 14 -11.049 -8.528 -4.403
98 HE3 LYS 14 2HE LYS 14 -9.986 -8.832 -5.763
99 HZ1 LYS 14 3HZ LYS 14 -11.746 -9.734 -6.978
100 HZ2 LYS 14 1HZ LYS 14 -12.729 -9.860 -5.680
101 HZ3 LYS 14 2HZ LYS 14 -12.367 -8.389 -6.291
102 H ASN 15 H ASN 15 -7.429 -7.576 -5.770
103 HA ASN 15 HA ASN 15 -8.073 -9.313 -7.993
104 HB2 ASN 15 1HB ASN 15 -9.001 -6.823 -7.426
105 HB3 ASN 15 2HB ASN 15 -7.577 -6.352 -8.332
106 HD21 ASN 15 1HD2 ASN 15 -8.642 -5.552 -10.072
107 HD22 ASN 15 2HD2 ASN 15 -9.531 -6.510 -11.209
108 H ASP 16 H ASP 16 -5.637 -6.907 -6.793
109 HA ASP 16 HA ASP 16 -3.559 -8.332 -8.061
110 HB2 ASP 16 1HB ASP 16 -4.767 -6.548 -9.749
111 HB3 ASP 16 2HB ASP 16 -3.620 -5.475 -8.971
112 H SER 17 H SER 17 -1.399 -7.347 -7.420
113 HA SER 17 HA SER 17 -1.600 -6.213 -4.848
114 HB2 SER 17 1HB SER 17 0.976 -6.117 -5.111
115 HB3 SER 17 2HB SER 17 0.216 -7.696 -5.147
116 HG SER 17 HG SER 17 1.786 -6.586 -7.027
117 H GLN 18 H GLN 18 -0.940 -5.029 -8.152
118 HA GLN 18 HA GLN 18 0.033 -2.524 -7.279
119 HB2 GLN 18 1HB GLN 18 0.584 -3.597 -9.492
120 HB3 GLN 18 2HB GLN 18 -1.068 -3.325 -10.009
121 HG2 GLN 18 1HG GLN 18 -0.768 -0.862 -9.668
122 HG3 GLN 18 2HG GLN 18 0.884 -1.135 -9.152
123 HE21 GLN 18 1HE2 GLN 18 2.466 -1.381 -10.598
124 HE22 GLN 18 2HE2 GLN 18 2.272 -1.388 -12.319
125 H LEU 19 H LEU 19 -3.120 -3.971 -7.715
126 HA LEU 19 HA LEU 19 -4.572 -1.622 -8.265
127 HB2 LEU 19 1HB LEU 19 -5.617 -3.617 -8.805
128 HB3 LEU 19 2HB LEU 19 -5.221 -4.372 -7.275
129 HG LEU 19 HG LEU 19 -7.657 -3.749 -7.687
130 HD11 LEU 19 1HD1 LEU 19 -8.072 -3.478 -5.415
131 HD12 LEU 19 2HD1 LEU 19 -6.470 -4.252 -5.448
132 HD13 LEU 19 3HD1 LEU 19 -6.606 -2.502 -5.157
133 HD21 LEU 19 3HD2 LEU 19 -8.092 -1.304 -6.880
134 HD22 LEU 19 1HD2 LEU 19 -6.442 -1.014 -7.482
135 HD23 LEU 19 2HD2 LEU 19 -7.697 -1.626 -8.585
136 H ALA 20 H ALA 20 -4.109 -3.486 -5.175
137 HA ALA 20 HA ALA 20 -5.352 -1.568 -3.575
138 HB1 ALA 20 3HB ALA 20 -3.682 -2.807 -1.852
139 HB2 ALA 20 1HB ALA 20 -5.159 -3.575 -2.483
140 HB3 ALA 20 2HB ALA 20 -3.580 -3.945 -3.216
141 H TRP 21 H TRP 21 -2.050 -1.871 -4.885
142 HA TRP 21 HA TRP 21 -0.869 0.018 -3.152
143 HB2 TRP 21 1HB TRP 21 0.595 -1.454 -4.200
144 HB3 TRP 21 2HB TRP 21 -0.129 -1.226 -5.779
145 HD1 TRP 21 HD TRP 21 0.519 1.166 -7.058
146 HE1 TRP 21 1HE TRP 21 2.641 2.732 -6.957
147 HE3 TRP 21 3HE TRP 21 2.301 -0.651 -2.656
148 HZ2 TRP 21 2HZ TRP 21 4.779 3.028 -5.089
149 HZ3 TRP 21 3HZ TRP 21 4.411 0.330 -1.763
150 HH2 TRP 21 HH TRP 21 5.640 2.108 -2.905
151 H ASP 22 H ASP 22 -2.534 0.138 -6.347
152 HA ASP 22 HA ASP 22 -1.946 2.803 -6.854
153 HB2 ASP 22 1HB ASP 22 -2.896 0.991 -8.436
154 HB3 ASP 22 2HB ASP 22 -4.462 1.315 -7.721
155 H THR 23 H THR 23 -3.947 1.276 -4.503
156 HA THR 23 HA THR 23 -5.933 3.384 -4.382
157 HB THR 23 HB THR 23 -5.538 0.629 -3.399
158 HG1 THR 23 1HG THR 23 -7.433 0.963 -4.518
159 HG21 THR 23 3HG2 THR 23 -6.462 2.826 -1.510
160 HG22 THR 23 1HG2 THR 23 -7.225 1.219 -1.449
161 HG23 THR 23 2HG2 THR 23 -5.480 1.387 -1.144
162 H CYS 24 H CYS 24 -3.333 2.080 -2.212
163 HA CYS 24 HA CYS 24 -3.585 4.443 -0.589
164 HB2 CYS 24 1HB CYS 24 -3.107 2.828 0.879
165 HB3 CYS 24 2HB CYS 24 -2.385 1.786 -0.331
166 H SER 25 H SER 25 -0.719 2.735 -2.052
167 HA SER 25 HA SER 25 0.642 5.224 -2.242
168 HB2 SER 25 1HB SER 25 2.176 3.389 -3.651
169 HB3 SER 25 2HB SER 25 2.315 3.723 -1.936
170 HG SER 25 HG SER 25 0.586 1.706 -3.097
171 H GLY 26 H GLY 26 -1.577 5.676 -3.703
172 HA2 GLY 26 1HA GLY 26 -0.698 5.357 -6.512
173 HA3 GLY 26 2HA GLY 26 -2.372 5.251 -6.006
174 H GLY 27 H GLY 27 -0.761 7.514 -4.025
175 HA2 GLY 27 1HA GLY 27 -0.310 9.786 -4.358
176 HA3 GLY 27 2HA GLY 27 -1.224 9.764 -5.853
177 H THR 28 H THR 28 -3.566 8.314 -4.847
178 HA THR 28 HA THR 28 -4.572 10.140 -2.785
179 HB THR 28 HB THR 28 -6.628 10.462 -4.191
180 HG1 THR 28 1HG THR 28 -4.891 9.059 -6.098
181 HG21 THR 28 3HG2 THR 28 -3.982 11.102 -5.594
182 HG22 THR 28 1HG2 THR 28 -5.562 11.724 -6.130
183 HG23 THR 28 2HG2 THR 28 -4.915 12.190 -4.539
184 H GLY 29 H GLY 29 -7.110 9.278 -2.480
185 HA2 GLY 29 1HA GLY 29 -8.438 7.436 -2.050
186 HA3 GLY 29 2HA GLY 29 -7.094 6.362 -2.382
187 H ASN 30 H ASN 30 -6.757 5.170 -0.542
188 HA ASN 30 HA ASN 30 -6.918 6.586 1.978
189 HB2 ASN 30 1HB ASN 30 -7.084 4.380 3.010
190 HB3 ASN 30 2HB ASN 30 -8.162 4.389 1.628
191 HD21 ASN 30 1HD2 ASN 30 -7.489 2.018 2.519
192 HD22 ASN 30 2HD2 ASN 30 -6.342 1.205 1.507
193 H CYS 31 H CYS 31 -4.671 7.269 0.410
194 HA CYS 31 HA CYS 31 -2.470 5.595 0.748
195 HB2 CYS 31 1HB CYS 31 -1.245 7.238 -0.235
196 HB3 CYS 31 2HB CYS 31 -2.853 7.680 -0.776
197 H GLY 32 H GLY 32 -1.258 5.158 2.569
198 HA2 GLY 32 1HA GLY 32 -0.782 7.107 4.594
199 HA3 GLY 32 2HA GLY 32 -1.986 5.943 5.109
200 H THR 33 H THR 33 0.135 5.804 6.658
201 HA THR 33 HA THR 33 2.130 4.019 5.540
202 HB THR 33 HB THR 33 1.731 5.251 8.318
203 HG1 THR 33 1HG THR 33 3.212 6.785 7.409
204 HG21 THR 33 3HG2 THR 33 3.255 3.265 8.375
205 HG22 THR 33 1HG2 THR 33 4.168 3.937 7.003
206 HG23 THR 33 2HG2 THR 33 4.171 4.778 8.571
207 H VAL 34 H VAL 34 -1.001 3.668 6.702
208 HA VAL 34 HA VAL 34 -0.536 1.291 8.239
209 HB VAL 34 HB VAL 34 -2.998 2.682 7.180
210 HG11 VAL 34 1HG1 VAL 34 -4.380 1.136 8.358
211 HG12 VAL 34 2HG1 VAL 34 -3.267 0.170 7.359
212 HG13 VAL 34 3HG1 VAL 34 -2.973 0.342 9.107
213 HG21 VAL 34 3HG2 VAL 34 -2.002 2.351 10.028
214 HG22 VAL 34 1HG2 VAL 34 -1.696 3.784 9.017
215 HG23 VAL 34 2HG2 VAL 34 -3.363 3.349 9.465
216 H CYS 35 H CYS 35 -1.354 2.191 4.880
217 HA CYS 35 HA CYS 35 -2.189 -0.332 4.050
218 HB2 CYS 35 1HB CYS 35 -2.575 0.751 2.166
219 HB3 CYS 35 2HB CYS 35 -1.904 2.188 2.912
220 H CYS 36 H CYS 36 0.856 0.858 5.134
221 HA CYS 36 HA CYS 36 2.657 -0.424 3.506
222 HB2 CYS 36 1HB CYS 36 2.842 0.045 6.489
223 HB3 CYS 36 2HB CYS 36 4.184 -0.367 5.441
224 H GLY 37 H GLY 37 1.578 -1.582 6.790
225 HA2 GLY 37 1HA GLY 37 2.110 -4.336 5.932
226 HA3 GLY 37 2HA GLY 37 1.924 -3.755 7.575
227 H GLN 38 H GLN 38 -0.158 -3.218 4.651
228 HA GLN 38 HA GLN 38 -2.283 -4.546 6.147
229 HB2 GLN 38 1HB GLN 38 -2.470 -1.995 5.914
230 HB3 GLN 38 2HB GLN 38 -2.687 -2.245 4.194
231 HG2 GLN 38 1HG GLN 38 -4.884 -2.677 4.532
232 HG3 GLN 38 2HG GLN 38 -4.462 -4.073 5.505
233 HE21 GLN 38 1HE2 GLN 38 -3.651 -3.498 7.770
234 HE22 GLN 38 2HE2 GLN 38 -4.582 -2.340 8.661
235 H CYS 39 H CYS 39 -0.711 -3.872 3.005
236 HA CYS 39 HA CYS 39 -2.209 -6.144 1.920
237 HB2 CYS 39 1HB CYS 39 -1.394 -3.618 0.468
238 HB3 CYS 39 2HB CYS 39 -2.025 -5.055 -0.311
239 H PHE 40 H PHE 40 0.781 -4.130 2.004
240 HA PHE 40 HA PHE 40 2.236 -6.440 0.925
241 HB2 PHE 40 1HB PHE 40 3.324 -3.607 1.079
242 HB3 PHE 40 2HB PHE 40 3.667 -4.833 -0.125
243 HD1 PHE 40 1HD PHE 40 1.235 -2.292 0.947
244 HD2 PHE 40 2HD PHE 40 2.301 -5.065 -2.083
245 HE1 PHE 40 1HE PHE 40 -0.423 -1.229 -0.609
246 HE2 PHE 40 2HE PHE 40 0.643 -4.002 -3.639
247 HZ PHE 40 HZ PHE 40 -0.699 -2.097 -2.883
248 H SER 41 H SER 41 4.761 -6.101 1.644
249 HA SER 41 HA SER 41 4.787 -5.353 4.440
250 HB2 SER 41 1HB SER 41 5.247 -8.106 3.326
251 HB3 SER 41 2HB SER 41 6.298 -7.587 4.629
252 HG SER 41 HG SER 41 3.411 -7.427 4.763
253 H PHE 42 H PHE 42 7.084 -5.139 5.277
254 HA PHE 42 HA PHE 42 8.632 -3.646 3.563
255 HB2 PHE 42 1HB PHE 42 8.599 -4.628 6.261
256 HB3 PHE 42 2HB PHE 42 10.154 -5.124 5.623
257 HD1 PHE 42 2HD PHE 42 7.971 -2.126 5.959
258 HD2 PHE 42 1HD PHE 42 11.927 -3.618 5.603
259 HE1 PHE 42 2HE PHE 42 8.877 0.177 6.378
260 HE2 PHE 42 1HE PHE 42 12.834 -1.316 6.022
261 HZ PHE 42 HZ PHE 42 11.298 0.555 6.404
262 HA PRO 43 HA PRO 43 10.741 -3.243 3.609
263 HB2 PRO 43 1HB PRO 43 12.366 -2.548 1.525
264 HB3 PRO 43 2HB PRO 43 12.965 -3.254 3.013
265 HG2 PRO 43 1HG PRO 43 12.638 -4.519 0.361
266 HG3 PRO 43 2HG PRO 43 13.606 -5.053 1.720
267 HD2 PRO 43 1HD PRO 43 11.079 -6.123 0.889
268 HD3 PRO 43 2HD PRO 43 11.992 -6.578 2.314
269 H VAL 44 H VAL 44 8.735 -4.533 1.521
270 HA VAL 44 HA VAL 44 8.281 -2.346 -0.224
271 HB VAL 44 HB VAL 44 6.222 -4.402 0.495
272 HG11 VAL 44 1HG1 VAL 44 7.024 -2.870 -1.980
273 HG12 VAL 44 2HG1 VAL 44 6.030 -4.343 -2.082
274 HG13 VAL 44 3HG1 VAL 44 5.445 -2.936 -1.161
275 HG21 VAL 44 3HG2 VAL 44 7.677 -5.605 -1.520
276 HG22 VAL 44 1HG2 VAL 44 8.945 -4.947 -0.458
277 HG23 VAL 44 2HG2 VAL 44 7.716 -6.053 0.202
278 H SER 45 H SER 45 7.021 -3.395 2.968
279 HA SER 45 HA SER 45 4.848 -1.774 3.126
280 HB2 SER 45 1HB SER 45 4.892 -3.035 5.019
281 HB3 SER 45 2HB SER 45 6.639 -3.165 5.001
282 HG SER 45 HG SER 45 5.737 -1.979 6.868
283 H GLN 46 H GLN 46 8.200 -0.901 2.905
284 HA GLN 46 HA GLN 46 7.814 1.628 4.210
285 HB2 GLN 46 1HB GLN 46 9.988 0.036 4.027
286 HB3 GLN 46 2HB GLN 46 10.284 1.023 2.610
287 HG2 GLN 46 1HG GLN 46 9.743 3.046 4.256
288 HG3 GLN 46 2HG GLN 46 10.113 1.878 5.510
289 HE21 GLN 46 1HE2 GLN 46 11.680 3.960 5.467
290 HE22 GLN 46 2HE2 GLN 46 13.248 3.637 4.806
291 H SER 47 H SER 47 7.652 0.206 1.005
292 HA SER 47 HA SER 47 8.115 2.624 -0.382
293 HB2 SER 47 1HB SER 47 7.435 1.365 -2.367
294 HB3 SER 47 2HB SER 47 8.497 0.376 -1.385
295 HG SER 47 HG SER 47 6.501 -0.601 -0.455
296 H CYS 48 H CYS 48 5.270 0.822 0.860
297 HA CYS 48 HA CYS 48 3.268 2.106 -0.486
298 HB2 CYS 48 1HB CYS 48 2.565 0.315 0.766
299 HB3 CYS 48 2HB CYS 48 3.481 0.789 2.183
300 H ALA 49 H ALA 49 4.445 2.900 2.875
301 HA ALA 49 HA ALA 49 3.146 5.349 3.027
302 HB1 ALA 49 3HB ALA 49 3.849 4.854 5.114
303 HB2 ALA 49 1HB ALA 49 5.159 3.811 4.511
304 HB3 ALA 49 2HB ALA 49 5.408 5.569 4.636
305 H GLY 50 H GLY 50 5.876 4.347 1.140
306 HA2 GLY 50 1HA GLY 50 7.149 6.930 1.011
307 HA3 GLY 50 2HA GLY 50 7.523 5.499 0.073
308 H MET 51 H MET 51 5.308 4.828 -1.327
309 HA MET 51 HA MET 51 5.067 7.078 -3.084
310 HB2 MET 51 1HB MET 51 5.482 4.706 -3.879
311 HB3 MET 51 2HB MET 51 3.920 4.234 -3.241
312 HG2 MET 51 1HG MET 51 2.917 4.910 -5.161
313 HG3 MET 51 2HG MET 51 3.485 6.547 -4.897
314 HE1 MET 51 3HE MET 51 3.211 5.725 -7.913
315 HE2 MET 51 1HE MET 51 3.793 7.236 -7.175
316 HE3 MET 51 2HE MET 51 4.756 6.434 -8.439
317 H ALA 52 H ALA 52 3.659 6.768 -0.294
318 HA ALA 52 HA ALA 52 0.877 6.829 -1.119
319 HB1 ALA 52 3HB ALA 52 1.379 5.584 0.881
320 HB2 ALA 52 1HB ALA 52 2.306 6.941 1.563
321 HB3 ALA 52 2HB ALA 52 0.540 7.072 1.383
322 H ASP 53 H ASP 53 2.968 8.903 -1.949
323 HA ASP 53 HA ASP 53 3.067 11.046 -2.250
324 HB2 ASP 53 1HB ASP 53 0.205 10.606 -1.595
325 HB3 ASP 53 2HB ASP 53 0.737 12.248 -1.296
326 H SER 54 H SER 54 3.429 13.141 -1.059
327 HA SER 54 HA SER 54 3.695 12.617 1.784
328 HB2 SER 54 1HB SER 54 5.304 14.016 -0.230
329 HB3 SER 54 2HB SER 54 5.013 15.036 1.165
330 HG SER 54 HG SER 54 6.614 13.935 2.064
331 H ASN 55 H ASN 55 3.547 15.793 0.083
332 HA ASN 55 HA ASN 55 1.438 16.525 1.919
333 HB2 ASN 55 1HB ASN 55 3.716 17.867 1.122
334 HB3 ASN 55 2HB ASN 55 2.551 18.546 0.003
335 HD21 ASN 55 1HD2 ASN 55 1.865 20.417 0.686
336 HD22 ASN 55 2HD2 ASN 55 1.414 20.850 2.301
337 H ASP 56 H ASP 56 1.876 15.316 -1.227
338 HA ASP 56 HA ASP 56 0.032 16.928 -2.610
339 HB2 ASP 56 1HB ASP 56 1.926 15.204 -3.412
340 HB3 ASP 56 2HB ASP 56 0.598 14.061 -3.381
341 H CYS 57 H CYS 57 -0.068 14.019 -0.559
342 HA CYS 57 HA CYS 57 -2.645 13.178 -1.397
343 HB2 CYS 57 1HB CYS 57 -0.554 12.195 0.272
344 HB3 CYS 57 2HB CYS 57 -2.025 12.228 1.224
345 HA PRO 58 HA PRO 58 -5.062 15.522 1.382
346 HB2 PRO 58 1HB PRO 58 -6.788 13.778 2.584
347 HB3 PRO 58 2HB PRO 58 -7.003 14.364 0.947
348 HG2 PRO 58 1HG PRO 58 -6.072 11.710 1.858
349 HG3 PRO 58 2HG PRO 58 -6.692 12.176 0.286
350 HD2 PRO 58 1HD PRO 58 -3.946 11.726 0.983
351 HD3 PRO 58 2HD PRO 58 -4.556 12.303 -0.555
352 H ASN 59 H ASN 59 -2.760 13.583 2.581
353 HA ASN 59 HA ASN 59 -3.430 13.861 5.321
354 HB2 ASN 59 1HB ASN 59 -0.661 13.266 4.175
355 HB3 ASN 59 2HB ASN 59 -1.292 12.779 5.736
356 HD21 ASN 59 1HD2 ASN 59 -0.153 11.062 3.825
357 HD22 ASN 59 2HD2 ASN 59 -1.345 9.928 3.286
358 H ALA 60 H ALA 60 -2.194 15.223 6.876
359 HA ALA 60 HA ALA 60 -0.256 17.072 5.956
360 HB1 ALA 60 3HB ALA 60 -2.662 17.888 5.145
361 HB2 ALA 60 1HB ALA 60 -2.774 18.457 6.828
362 HB3 ALA 60 2HB ALA 60 -1.460 19.038 5.778
Start of MODEL 6
1 H1 ASP 1 H ASP 1 10.572 -7.703 -7.142
2 HA ASP 1 HA ASP 1 8.560 -6.276 -7.463
3 HB2 ASP 1 1HB ASP 1 8.358 -9.270 -6.946
4 HB3 ASP 1 2HB ASP 1 6.989 -8.357 -7.547
5 H ILE 2 H ILE 2 6.257 -6.040 -6.614
6 HA ILE 2 HA ILE 2 6.289 -6.118 -3.699
7 HB ILE 2 HB ILE 2 4.854 -4.349 -3.717
8 HG12 ILE 2 1HG1 ILE 2 3.913 -5.134 -6.492
9 HG13 ILE 2 2HG1 ILE 2 3.066 -5.454 -4.992
10 HG21 ILE 2 1HG2 ILE 2 6.099 -3.886 -6.428
11 HG22 ILE 2 2HG2 ILE 2 5.725 -2.701 -5.154
12 HG23 ILE 2 3HG2 ILE 2 7.047 -3.871 -4.921
13 HD11 ILE 2 3HD1 ILE 2 3.552 -2.724 -4.799
14 HD12 ILE 2 1HD1 ILE 2 3.260 -2.945 -6.541
15 HD13 ILE 2 2HD1 ILE 2 2.031 -3.458 -5.361
16 H GLU 3 H GLU 3 4.512 -7.299 -6.584
17 HA GLU 3 HA GLU 3 2.327 -8.326 -5.320
18 HB2 GLU 3 1HB GLU 3 2.708 -8.192 -7.802
19 HB3 GLU 3 2HB GLU 3 3.813 -9.548 -7.688
20 HG2 GLU 3 1HG GLU 3 1.179 -10.036 -6.397
21 HG3 GLU 3 2HG GLU 3 1.079 -9.752 -8.124
22 H ASP 4 H ASP 4 5.674 -9.506 -5.412
23 HA ASP 4 HA ASP 4 5.045 -12.110 -4.561
24 HB2 ASP 4 1HB ASP 4 7.624 -10.484 -4.368
25 HB3 ASP 4 2HB ASP 4 7.521 -12.199 -4.018
26 H PHE 5 H PHE 5 4.739 -9.111 -3.062
27 HA PHE 5 HA PHE 5 5.123 -10.310 -0.412
28 HB2 PHE 5 1HB PHE 5 5.981 -7.686 -1.671
29 HB3 PHE 5 2HB PHE 5 5.474 -7.618 0.005
30 HD1 PHE 5 1HD PHE 5 6.764 -8.776 1.742
31 HD2 PHE 5 2HD PHE 5 8.043 -8.768 -2.304
32 HE1 PHE 5 1HE PHE 5 9.050 -9.524 2.463
33 HE2 PHE 5 2HE PHE 5 10.329 -9.516 -1.583
34 HZ PHE 5 HZ PHE 5 10.804 -9.884 0.791
35 H TYR 6 H TYR 6 2.807 -9.679 -2.504
36 HA TYR 6 HA TYR 6 1.190 -7.803 -1.064
37 HB2 TYR 6 1HB TYR 6 1.291 -8.447 -3.615
38 HB3 TYR 6 2HB TYR 6 0.458 -9.923 -3.170
39 HD1 TYR 6 1HD TYR 6 -0.187 -6.561 -1.710
40 HD2 TYR 6 2HD TYR 6 -1.572 -9.615 -4.366
41 HE1 TYR 6 1HE TYR 6 -2.423 -5.369 -1.927
42 HE2 TYR 6 2HE TYR 6 -3.803 -8.413 -4.573
43 HH TYR 6 HH TYR 6 -4.973 -6.688 -4.024
44 H THR 7 H THR 7 -0.612 -8.207 0.248
45 HA THR 7 HA THR 7 -1.050 -11.034 0.942
46 HB THR 7 HB THR 7 -1.137 -10.373 3.297
47 HG1 THR 7 1HG THR 7 -0.548 -7.703 2.244
48 HG21 THR 7 3HG2 THR 7 1.210 -10.614 2.425
49 HG22 THR 7 1HG2 THR 7 1.194 -8.895 1.965
50 HG23 THR 7 2HG2 THR 7 1.102 -9.358 3.681
51 H SER 8 H SER 8 -2.835 -11.186 -0.462
52 HA SER 8 HA SER 8 -4.855 -9.275 -0.470
53 HB2 SER 8 1HB SER 8 -4.238 -11.631 -1.872
54 HB3 SER 8 2HB SER 8 -5.757 -12.008 -1.084
55 HG SER 8 HG SER 8 -6.456 -9.792 -1.968
56 H GLU 9 H GLU 9 -3.892 -11.511 1.927
57 HA GLU 9 HA GLU 9 -6.415 -12.271 2.880
58 HB2 GLU 9 1HB GLU 9 -3.786 -12.977 3.406
59 HB3 GLU 9 2HB GLU 9 -4.217 -12.110 4.867
60 HG2 GLU 9 1HG GLU 9 -6.300 -14.011 3.899
61 HG3 GLU 9 2HG GLU 9 -4.799 -14.769 4.393
62 H THR 10 H THR 10 -4.069 -9.670 3.810
63 HA THR 10 HA THR 10 -6.081 -8.558 5.616
64 HB THR 10 HB THR 10 -3.897 -8.734 6.606
65 HG1 THR 10 1HG THR 10 -4.874 -6.598 6.802
66 HG21 THR 10 3HG2 THR 10 -2.053 -7.273 5.231
67 HG22 THR 10 1HG2 THR 10 -2.216 -9.033 5.018
68 HG23 THR 10 2HG2 THR 10 -2.981 -7.921 3.858
69 H CYS 11 H CYS 11 -4.565 -8.044 2.462
70 HA CYS 11 HA CYS 11 -5.211 -5.340 2.217
71 HB2 CYS 11 1HB CYS 11 -3.645 -6.796 0.795
72 HB3 CYS 11 2HB CYS 11 -5.083 -7.290 -0.078
73 HA PRO 12 HA PRO 12 -9.527 -5.751 1.668
74 HB2 PRO 12 1HB PRO 12 -10.113 -3.208 0.854
75 HB3 PRO 12 2HB PRO 12 -9.908 -3.653 2.537
76 HG2 PRO 12 1HG PRO 12 -8.056 -2.171 0.772
77 HG3 PRO 12 2HG PRO 12 -8.072 -2.256 2.522
78 HD2 PRO 12 1HD PRO 12 -6.285 -3.637 0.754
79 HD3 PRO 12 2HD PRO 12 -6.378 -3.809 2.495
80 H TYR 13 H TYR 13 -7.336 -5.173 -0.814
81 HA TYR 13 HA TYR 13 -9.471 -5.630 -2.785
82 HB2 TYR 13 1HB TYR 13 -6.601 -4.512 -2.933
83 HB3 TYR 13 2HB TYR 13 -7.647 -4.680 -4.328
84 HD1 TYR 13 2HD TYR 13 -9.695 -3.251 -4.534
85 HD2 TYR 13 1HD TYR 13 -6.824 -2.661 -1.418
86 HE1 TYR 13 2HE TYR 13 -10.629 -0.926 -4.104
87 HE2 TYR 13 1HE TYR 13 -7.767 -0.338 -0.998
88 HH TYR 13 HH TYR 13 -10.580 0.822 -2.826
89 H LYS 14 H LYS 14 -9.397 -7.424 -4.107
90 HA LYS 14 HA LYS 14 -7.044 -9.150 -3.757
91 HB2 LYS 14 1HB LYS 14 -8.791 -11.020 -4.212
92 HB3 LYS 14 2HB LYS 14 -8.657 -10.334 -2.606
93 HG2 LYS 14 1HG LYS 14 -11.011 -10.402 -3.119
94 HG3 LYS 14 2HG LYS 14 -10.534 -8.718 -3.219
95 HD2 LYS 14 1HD LYS 14 -10.230 -10.193 -5.780
96 HD3 LYS 14 2HD LYS 14 -11.884 -10.125 -5.204
97 HE2 LYS 14 1HE LYS 14 -11.216 -7.532 -4.776
98 HE3 LYS 14 2HE LYS 14 -10.075 -7.877 -6.060
99 HZ1 LYS 14 3HZ LYS 14 -12.101 -8.862 -7.222
100 HZ2 LYS 14 1HZ LYS 14 -12.986 -8.005 -6.150
101 HZ3 LYS 14 2HZ LYS 14 -11.962 -7.236 -7.163
102 H ASN 15 H ASN 15 -7.409 -7.009 -5.720
103 HA ASN 15 HA ASN 15 -8.051 -8.479 -8.118
104 HB2 ASN 15 1HB ASN 15 -8.763 -6.011 -7.590
105 HB3 ASN 15 2HB ASN 15 -7.101 -5.583 -7.946
106 HD21 ASN 15 1HD2 ASN 15 -7.922 -4.316 -9.667
107 HD22 ASN 15 2HD2 ASN 15 -8.346 -5.018 -11.192
108 H ASP 16 H ASP 16 -5.433 -6.244 -6.890
109 HA ASP 16 HA ASP 16 -3.421 -8.056 -7.684
110 HB2 ASP 16 1HB ASP 16 -4.191 -6.772 -9.843
111 HB3 ASP 16 2HB ASP 16 -3.392 -5.383 -9.133
112 H SER 17 H SER 17 -1.233 -7.176 -7.007
113 HA SER 17 HA SER 17 -1.442 -5.711 -4.661
114 HB2 SER 17 1HB SER 17 1.095 -5.672 -4.793
115 HB3 SER 17 2HB SER 17 0.373 -7.265 -4.915
116 HG SER 17 HG SER 17 0.507 -6.327 -7.430
117 H GLN 18 H GLN 18 -0.754 -4.827 -8.052
118 HA GLN 18 HA GLN 18 0.280 -2.295 -7.494
119 HB2 GLN 18 1HB GLN 18 -0.721 -3.768 -9.891
120 HB3 GLN 18 2HB GLN 18 -0.746 -2.020 -10.015
121 HG2 GLN 18 1HG GLN 18 1.591 -1.826 -9.803
122 HG3 GLN 18 2HG GLN 18 1.747 -3.338 -8.931
123 HE21 GLN 18 1HE2 GLN 18 2.910 -2.125 -11.471
124 HE22 GLN 18 2HE2 GLN 18 2.774 -3.368 -12.670
125 H LEU 19 H LEU 19 -3.011 -3.611 -7.806
126 HA LEU 19 HA LEU 19 -4.343 -1.179 -8.201
127 HB2 LEU 19 1HB LEU 19 -5.405 -3.246 -8.700
128 HB3 LEU 19 2HB LEU 19 -5.183 -3.842 -7.066
129 HG LEU 19 HG LEU 19 -6.672 -1.720 -6.457
130 HD11 LEU 19 1HD1 LEU 19 -7.775 -2.399 -9.186
131 HD12 LEU 19 2HD1 LEU 19 -8.263 -1.093 -8.080
132 HD13 LEU 19 3HD1 LEU 19 -6.686 -1.021 -8.901
133 HD21 LEU 19 3HD2 LEU 19 -7.041 -4.363 -6.358
134 HD22 LEU 19 1HD2 LEU 19 -8.334 -3.195 -5.994
135 HD23 LEU 19 2HD2 LEU 19 -8.257 -3.967 -7.596
136 H ALA 20 H ALA 20 -4.074 -3.147 -5.151
137 HA ALA 20 HA ALA 20 -5.040 -1.154 -3.491
138 HB1 ALA 20 3HB ALA 20 -2.996 -2.898 -2.293
139 HB2 ALA 20 1HB ALA 20 -4.732 -2.755 -1.926
140 HB3 ALA 20 2HB ALA 20 -4.188 -3.787 -3.270
141 H TRP 21 H TRP 21 -1.799 -1.730 -4.868
142 HA TRP 21 HA TRP 21 -0.413 0.007 -3.138
143 HB2 TRP 21 1HB TRP 21 0.859 -1.576 -4.296
144 HB3 TRP 21 2HB TRP 21 0.141 -1.177 -5.844
145 HD1 TRP 21 HD TRP 21 1.147 1.015 -7.123
146 HE1 TRP 21 1HE TRP 21 3.375 2.416 -6.920
147 HE3 TRP 21 3HE TRP 21 2.481 -0.781 -2.556
148 HZ2 TRP 21 2HZ TRP 21 5.399 2.611 -4.918
149 HZ3 TRP 21 3HZ TRP 21 4.598 0.067 -1.548
150 HH2 TRP 21 HH TRP 21 6.037 1.704 -2.653
151 H ASP 22 H ASP 22 -2.042 0.373 -6.349
152 HA ASP 22 HA ASP 22 -1.281 3.013 -6.717
153 HB2 ASP 22 1HB ASP 22 -2.398 1.258 -8.335
154 HB3 ASP 22 2HB ASP 22 -3.916 1.858 -7.696
155 H THR 23 H THR 23 -3.696 1.426 -4.706
156 HA THR 23 HA THR 23 -5.479 3.636 -4.460
157 HB THR 23 HB THR 23 -5.065 0.900 -3.292
158 HG1 THR 23 1HG THR 23 -7.451 1.097 -3.774
159 HG21 THR 23 3HG2 THR 23 -5.387 2.474 -1.270
160 HG22 THR 23 1HG2 THR 23 -6.946 2.933 -1.996
161 HG23 THR 23 2HG2 THR 23 -6.659 1.249 -1.495
162 H CYS 24 H CYS 24 -3.163 2.187 -2.065
163 HA CYS 24 HA CYS 24 -3.280 4.628 -0.566
164 HB2 CYS 24 1HB CYS 24 -3.039 3.043 0.987
165 HB3 CYS 24 2HB CYS 24 -2.356 1.889 -0.140
166 H SER 25 H SER 25 -0.656 2.635 -2.132
167 HA SER 25 HA SER 25 1.134 4.824 -2.026
168 HB2 SER 25 1HB SER 25 2.249 3.006 -3.804
169 HB3 SER 25 2HB SER 25 2.489 3.007 -2.068
170 HG SER 25 HG SER 25 1.289 1.235 -1.871
171 H GLY 26 H GLY 26 -0.934 5.983 -3.255
172 HA2 GLY 26 1HA GLY 26 -0.092 6.134 -6.078
173 HA3 GLY 26 2HA GLY 26 -1.786 5.960 -5.662
174 H GLY 27 H GLY 27 -2.821 7.892 -5.903
175 HA2 GLY 27 1HA GLY 27 -1.360 10.341 -5.154
176 HA3 GLY 27 2HA GLY 27 -2.707 10.233 -6.270
177 H THR 28 H THR 28 -4.669 8.825 -4.999
178 HA THR 28 HA THR 28 -5.022 10.206 -2.423
179 HB THR 28 HB THR 28 -7.350 10.670 -3.104
180 HG1 THR 28 1HG THR 28 -8.099 9.656 -4.974
181 HG21 THR 28 3HG2 THR 28 -5.061 11.636 -4.707
182 HG22 THR 28 1HG2 THR 28 -6.583 11.633 -5.631
183 HG23 THR 28 2HG2 THR 28 -6.471 12.540 -4.104
184 H GLY 29 H GLY 29 -7.732 8.986 -2.199
185 HA2 GLY 29 1HA GLY 29 -8.697 6.935 -1.786
186 HA3 GLY 29 2HA GLY 29 -7.178 6.128 -2.120
187 H ASN 30 H ASN 30 -6.390 5.099 -0.341
188 HA ASN 30 HA ASN 30 -6.689 6.526 2.186
189 HB2 ASN 30 1HB ASN 30 -6.457 4.014 3.094
190 HB3 ASN 30 2HB ASN 30 -8.016 4.635 2.587
191 HD21 ASN 30 1HD2 ASN 30 -8.827 4.128 0.516
192 HD22 ASN 30 2HD2 ASN 30 -8.323 2.711 -0.343
193 H CYS 31 H CYS 31 -4.476 7.274 0.924
194 HA CYS 31 HA CYS 31 -2.346 5.398 1.085
195 HB2 CYS 31 1HB CYS 31 -0.984 7.065 0.197
196 HB3 CYS 31 2HB CYS 31 -2.549 7.317 -0.551
197 H GLY 32 H GLY 32 -0.936 5.068 2.810
198 HA2 GLY 32 1HA GLY 32 -0.402 6.995 4.804
199 HA3 GLY 32 2HA GLY 32 -1.628 5.885 5.383
200 H THR 33 H THR 33 0.501 5.677 6.886
201 HA THR 33 HA THR 33 2.431 3.834 5.751
202 HB THR 33 HB THR 33 2.103 5.045 8.548
203 HG1 THR 33 1HG THR 33 2.707 6.751 7.240
204 HG21 THR 33 3HG2 THR 33 4.509 3.771 7.140
205 HG22 THR 33 1HG2 THR 33 4.540 4.558 8.736
206 HG23 THR 33 2HG2 THR 33 3.625 3.048 8.505
207 H VAL 34 H VAL 34 -0.699 3.553 6.903
208 HA VAL 34 HA VAL 34 -0.266 1.151 8.431
209 HB VAL 34 HB VAL 34 -2.716 2.638 7.479
210 HG11 VAL 34 1HG1 VAL 34 -2.684 0.284 9.389
211 HG12 VAL 34 2HG1 VAL 34 -4.097 1.132 8.715
212 HG13 VAL 34 3HG1 VAL 34 -3.066 0.139 7.656
213 HG21 VAL 34 3HG2 VAL 34 -0.950 2.941 9.720
214 HG22 VAL 34 1HG2 VAL 34 -2.398 3.886 9.298
215 HG23 VAL 34 2HG2 VAL 34 -2.549 2.430 10.310
216 H CYS 35 H CYS 35 -1.160 2.140 5.117
217 HA CYS 35 HA CYS 35 -2.123 -0.334 4.276
218 HB2 CYS 35 1HB CYS 35 -2.524 0.794 2.421
219 HB3 CYS 35 2HB CYS 35 -1.778 2.191 3.170
220 H CYS 36 H CYS 36 0.994 0.696 5.298
221 HA CYS 36 HA CYS 36 2.704 -0.597 3.591
222 HB2 CYS 36 1HB CYS 36 2.968 -0.272 6.587
223 HB3 CYS 36 2HB CYS 36 4.271 -0.681 5.489
224 H GLY 37 H GLY 37 1.949 -1.884 6.900
225 HA2 GLY 37 1HA GLY 37 2.272 -4.598 5.915
226 HA3 GLY 37 2HA GLY 37 2.092 -4.073 7.577
227 H GLN 38 H GLN 38 0.002 -3.293 4.725
228 HA GLN 38 HA GLN 38 -2.123 -4.743 6.101
229 HB2 GLN 38 1HB GLN 38 -2.227 -2.145 6.127
230 HB3 GLN 38 2HB GLN 38 -2.591 -2.257 4.417
231 HG2 GLN 38 1HG GLN 38 -4.744 -2.265 5.346
232 HG3 GLN 38 2HG GLN 38 -4.443 -3.982 5.162
233 HE21 GLN 38 1HE2 GLN 38 -6.282 -2.884 6.949
234 HE22 GLN 38 2HE2 GLN 38 -5.795 -3.223 8.576
235 H CYS 39 H CYS 39 -0.731 -3.580 2.990
236 HA CYS 39 HA CYS 39 -2.310 -5.658 1.657
237 HB2 CYS 39 1HB CYS 39 -1.399 -2.947 0.759
238 HB3 CYS 39 2HB CYS 39 -1.629 -4.216 -0.426
239 H PHE 40 H PHE 40 0.861 -4.219 2.368
240 HA PHE 40 HA PHE 40 2.097 -6.529 1.063
241 HB2 PHE 40 1HB PHE 40 3.427 -3.795 1.167
242 HB3 PHE 40 2HB PHE 40 3.678 -5.074 -0.004
243 HD1 PHE 40 2HD PHE 40 1.257 -2.476 1.061
244 HD2 PHE 40 1HD PHE 40 2.509 -5.082 -2.045
245 HE1 PHE 40 2HE PHE 40 -0.297 -1.320 -0.535
246 HE2 PHE 40 1HE PHE 40 0.955 -3.926 -3.641
247 HZ PHE 40 HZ PHE 40 -0.429 -2.059 -2.867
248 H SER 41 H SER 41 4.685 -6.298 1.755
249 HA SER 41 HA SER 41 4.740 -5.594 4.563
250 HB2 SER 41 1HB SER 41 5.112 -8.345 3.402
251 HB3 SER 41 2HB SER 41 6.151 -7.884 4.736
252 HG SER 41 HG SER 41 3.382 -7.321 5.037
253 H PHE 42 H PHE 42 7.029 -5.444 5.401
254 HA PHE 42 HA PHE 42 8.641 -4.013 3.695
255 HB2 PHE 42 1HB PHE 42 8.555 -4.989 6.394
256 HB3 PHE 42 2HB PHE 42 10.096 -5.539 5.767
257 HD1 PHE 42 2HD PHE 42 8.017 -2.473 6.116
258 HD2 PHE 42 1HD PHE 42 11.920 -4.091 5.726
259 HE1 PHE 42 2HE PHE 42 9.000 -0.203 6.539
260 HE2 PHE 42 1HE PHE 42 12.903 -1.820 6.149
261 HZ PHE 42 HZ PHE 42 11.431 0.097 6.550
262 HA PRO 43 HA PRO 43 10.758 -3.681 3.747
263 HB2 PRO 43 1HB PRO 43 12.413 -3.047 1.667
264 HB3 PRO 43 2HB PRO 43 12.982 -3.768 3.159
265 HG2 PRO 43 1HG PRO 43 12.623 -5.031 0.511
266 HG3 PRO 43 2HG PRO 43 13.569 -5.592 1.875
267 HD2 PRO 43 1HD PRO 43 11.009 -6.580 1.037
268 HD3 PRO 43 2HD PRO 43 11.901 -7.061 2.467
269 H VAL 44 H VAL 44 8.724 -4.913 1.647
270 HA VAL 44 HA VAL 44 8.348 -2.713 -0.102
271 HB VAL 44 HB VAL 44 6.220 -4.703 0.603
272 HG11 VAL 44 1HG1 VAL 44 6.000 -4.641 -1.949
273 HG12 VAL 44 2HG1 VAL 44 5.541 -3.169 -1.059
274 HG13 VAL 44 3HG1 VAL 44 7.109 -3.249 -1.897
275 HG21 VAL 44 3HG2 VAL 44 7.659 -5.950 -1.401
276 HG22 VAL 44 1HG2 VAL 44 8.933 -5.338 -0.319
277 HG23 VAL 44 2HG2 VAL 44 7.658 -6.404 0.321
278 H SER 45 H SER 45 7.050 -3.715 3.089
279 HA SER 45 HA SER 45 4.919 -2.040 3.237
280 HB2 SER 45 1HB SER 45 4.931 -3.287 5.139
281 HB3 SER 45 2HB SER 45 6.674 -3.465 5.119
282 HG SER 45 HG SER 45 5.674 -2.207 6.961
283 H GLN 46 H GLN 46 8.292 -1.250 3.015
284 HA GLN 46 HA GLN 46 7.971 1.293 4.306
285 HB2 GLN 46 1HB GLN 46 10.097 -0.302 4.212
286 HB3 GLN 46 2HB GLN 46 10.407 0.519 2.696
287 HG2 GLN 46 1HG GLN 46 9.797 2.650 4.370
288 HG3 GLN 46 2HG GLN 46 10.597 1.551 5.476
289 HE21 GLN 46 1HE2 GLN 46 12.319 3.001 5.655
290 HE22 GLN 46 2HE2 GLN 46 13.544 3.148 4.439
291 H SER 47 H SER 47 7.745 -0.135 1.111
292 HA SER 47 HA SER 47 8.265 2.265 -0.290
293 HB2 SER 47 1HB SER 47 6.612 0.120 -1.563
294 HB3 SER 47 2HB SER 47 7.993 0.989 -2.201
295 HG SER 47 HG SER 47 9.389 -0.295 -0.849
296 H CYS 48 H CYS 48 5.381 0.538 0.971
297 HA CYS 48 HA CYS 48 3.407 1.877 -0.366
298 HB2 CYS 48 1HB CYS 48 2.678 0.091 0.888
299 HB3 CYS 48 2HB CYS 48 3.591 0.559 2.309
300 H ALA 49 H ALA 49 4.629 2.628 2.990
301 HA ALA 49 HA ALA 49 3.389 5.102 3.172
302 HB1 ALA 49 3HB ALA 49 5.740 5.220 4.711
303 HB2 ALA 49 1HB ALA 49 4.137 4.665 5.248
304 HB3 ALA 49 2HB ALA 49 5.327 3.491 4.636
305 H GLY 50 H GLY 50 6.100 4.053 1.264
306 HA2 GLY 50 1HA GLY 50 7.400 6.618 1.110
307 HA3 GLY 50 2HA GLY 50 7.740 5.181 0.167
308 H MET 51 H MET 51 5.530 4.541 -1.229
309 HA MET 51 HA MET 51 5.270 6.821 -2.950
310 HB2 MET 51 1HB MET 51 5.659 4.278 -3.576
311 HB3 MET 51 2HB MET 51 3.938 4.095 -3.302
312 HG2 MET 51 1HG MET 51 4.288 4.527 -5.680
313 HG3 MET 51 2HG MET 51 3.502 5.929 -4.982
314 HE1 MET 51 3HE MET 51 7.578 5.524 -6.833
315 HE2 MET 51 1HE MET 51 6.368 4.273 -6.463
316 HE3 MET 51 2HE MET 51 6.034 5.490 -7.718
317 H ALA 52 H ALA 52 3.914 6.653 -0.206
318 HA ALA 52 HA ALA 52 1.114 6.472 -0.906
319 HB1 ALA 52 3HB ALA 52 2.679 6.098 1.413
320 HB2 ALA 52 1HB ALA 52 1.700 7.550 1.731
321 HB3 ALA 52 2HB ALA 52 0.905 6.020 1.287
322 H ASP 53 H ASP 53 2.379 8.386 -2.502
323 HA ASP 53 HA ASP 53 2.285 10.458 -3.133
324 HB2 ASP 53 1HB ASP 53 -0.203 9.976 -2.623
325 HB3 ASP 53 2HB ASP 53 0.024 10.859 -1.126
326 H SER 54 H SER 54 2.303 12.915 -2.261
327 HA SER 54 HA SER 54 3.882 12.845 0.179
328 HB2 SER 54 1HB SER 54 4.002 14.386 -2.347
329 HB3 SER 54 2HB SER 54 4.206 15.382 -0.920
330 HG SER 54 HG SER 54 5.770 13.084 -1.712
331 H ASN 55 H ASN 55 2.314 15.724 -1.279
332 HA ASN 55 HA ASN 55 0.729 15.908 1.161
333 HB2 ASN 55 1HB ASN 55 2.590 17.728 0.147
334 HB3 ASN 55 2HB ASN 55 1.083 18.378 -0.469
335 HD21 ASN 55 1HD2 ASN 55 -0.686 18.698 1.053
336 HD22 ASN 55 2HD2 ASN 55 -0.344 19.174 2.683
337 H ASP 56 H ASP 56 0.699 15.335 -2.203
338 HA ASP 56 HA ASP 56 -1.609 16.789 -2.891
339 HB2 ASP 56 1HB ASP 56 -0.130 14.438 -4.138
340 HB3 ASP 56 2HB ASP 56 -1.595 15.074 -4.859
341 H CYS 57 H CYS 57 -1.121 14.198 -0.806
342 HA CYS 57 HA CYS 57 -3.386 12.623 -1.612
343 HB2 CYS 57 1HB CYS 57 -1.064 12.175 -0.096
344 HB3 CYS 57 2HB CYS 57 -2.389 12.049 1.043
345 HA PRO 58 HA PRO 58 -6.205 14.722 0.961
346 HB2 PRO 58 1HB PRO 58 -8.016 12.767 1.565
347 HB3 PRO 58 2HB PRO 58 -8.006 13.625 0.037
348 HG2 PRO 58 1HG PRO 58 -7.109 10.869 0.620
349 HG3 PRO 58 2HG PRO 58 -7.505 11.591 -0.927
350 HD2 PRO 58 1HD PRO 58 -4.879 11.072 0.104
351 HD3 PRO 58 2HD PRO 58 -5.274 11.898 -1.390
352 H ASN 59 H ASN 59 -4.009 14.536 2.366
353 HA ASN 59 HA ASN 59 -4.668 13.083 4.756
354 HB2 ASN 59 1HB ASN 59 -2.240 14.738 3.904
355 HB3 ASN 59 2HB ASN 59 -2.374 14.022 5.498
356 HD21 ASN 59 1HD2 ASN 59 -0.285 13.195 4.312
357 HD22 ASN 59 2HD2 ASN 59 -0.415 11.620 3.603
358 H ALA 60 H ALA 60 -4.378 14.316 6.932
359 HA ALA 60 HA ALA 60 -5.236 15.863 8.284
360 HB1 ALA 60 3HB ALA 60 -4.041 17.885 8.245
361 HB2 ALA 60 1HB ALA 60 -2.974 16.774 7.353
362 HB3 ALA 60 2HB ALA 60 -3.992 17.935 6.467
Start of MODEL 7
1 H1 ASP 1 H ASP 1 10.106 -5.211 -5.859
2 HA ASP 1 HA ASP 1 8.340 -7.100 -7.207
3 HB2 ASP 1 1HB ASP 1 9.291 -8.671 -5.295
4 HB3 ASP 1 2HB ASP 1 10.213 -8.416 -6.763
5 H ILE 2 H ILE 2 6.372 -6.109 -6.427
6 HA ILE 2 HA ILE 2 6.153 -5.887 -3.512
7 HB ILE 2 HB ILE 2 4.624 -4.203 -3.783
8 HG12 ILE 2 1HG1 ILE 2 4.148 -5.022 -6.663
9 HG13 ILE 2 2HG1 ILE 2 3.137 -5.497 -5.313
10 HG21 ILE 2 1HG2 ILE 2 6.961 -3.688 -4.697
11 HG22 ILE 2 2HG2 ILE 2 6.207 -3.743 -6.308
12 HG23 ILE 2 3HG2 ILE 2 5.645 -2.560 -5.102
13 HD11 ILE 2 3HD1 ILE 2 2.461 -3.235 -4.874
14 HD12 ILE 2 1HD1 ILE 2 3.750 -2.575 -5.909
15 HD13 ILE 2 2HD1 ILE 2 2.371 -3.429 -6.641
16 H GLU 3 H GLU 3 4.635 -7.207 -6.499
17 HA GLU 3 HA GLU 3 2.418 -8.296 -5.345
18 HB2 GLU 3 1HB GLU 3 2.889 -8.180 -7.796
19 HB3 GLU 3 2HB GLU 3 4.086 -9.448 -7.625
20 HG2 GLU 3 1HG GLU 3 2.504 -11.104 -7.469
21 HG3 GLU 3 2HG GLU 3 1.457 -10.148 -6.439
22 H ASP 4 H ASP 4 5.799 -9.279 -5.124
23 HA ASP 4 HA ASP 4 5.264 -11.932 -4.358
24 HB2 ASP 4 1HB ASP 4 7.697 -10.148 -3.875
25 HB3 ASP 4 2HB ASP 4 7.669 -11.875 -3.579
26 H PHE 5 H PHE 5 4.772 -8.900 -2.870
27 HA PHE 5 HA PHE 5 4.895 -10.127 -0.205
28 HB2 PHE 5 1HB PHE 5 5.725 -7.445 -1.362
29 HB3 PHE 5 2HB PHE 5 5.073 -7.432 0.264
30 HD1 PHE 5 2HD PHE 5 6.270 -8.546 2.093
31 HD2 PHE 5 1HD PHE 5 7.889 -8.409 -1.827
32 HE1 PHE 5 2HE PHE 5 8.521 -9.184 3.001
33 HE2 PHE 5 1HE PHE 5 10.141 -9.048 -0.919
34 HZ PHE 5 HZ PHE 5 10.430 -9.427 1.484
35 H TYR 6 H TYR 6 2.742 -9.699 -2.460
36 HA TYR 6 HA TYR 6 0.908 -7.861 -1.253
37 HB2 TYR 6 1HB TYR 6 1.210 -8.552 -3.744
38 HB3 TYR 6 2HB TYR 6 0.551 -10.119 -3.319
39 HD1 TYR 6 1HD TYR 6 -0.768 -7.063 -1.750
40 HD2 TYR 6 2HD TYR 6 -1.285 -9.894 -4.916
41 HE1 TYR 6 1HE TYR 6 -3.120 -6.188 -2.159
42 HE2 TYR 6 2HE TYR 6 -3.635 -9.009 -5.314
43 HH TYR 6 HH TYR 6 -4.731 -6.509 -4.776
44 H THR 7 H THR 7 -0.274 -8.288 0.538
45 HA THR 7 HA THR 7 -0.897 -11.109 1.091
46 HB THR 7 HB THR 7 -0.821 -10.501 3.400
47 HG1 THR 7 1HG THR 7 -1.163 -7.853 2.199
48 HG21 THR 7 3HG2 THR 7 1.247 -9.312 3.755
49 HG22 THR 7 1HG2 THR 7 1.462 -10.153 2.201
50 HG23 THR 7 2HG2 THR 7 1.076 -8.416 2.226
51 H SER 8 H SER 8 -2.705 -11.384 -0.231
52 HA SER 8 HA SER 8 -4.769 -9.498 -0.269
53 HB2 SER 8 1HB SER 8 -4.106 -11.897 -1.623
54 HB3 SER 8 2HB SER 8 -5.654 -12.221 -0.869
55 HG SER 8 HG SER 8 -6.172 -9.923 -1.824
56 H GLU 9 H GLU 9 -3.704 -11.600 2.171
57 HA GLU 9 HA GLU 9 -6.176 -12.494 3.144
58 HB2 GLU 9 1HB GLU 9 -3.504 -13.008 3.693
59 HB3 GLU 9 2HB GLU 9 -4.005 -12.141 5.131
60 HG2 GLU 9 1HG GLU 9 -6.148 -13.889 4.682
61 HG3 GLU 9 2HG GLU 9 -4.759 -14.849 4.216
62 H THR 10 H THR 10 -3.971 -9.766 4.081
63 HA THR 10 HA THR 10 -6.061 -8.717 5.824
64 HB THR 10 HB THR 10 -3.852 -8.756 6.798
65 HG1 THR 10 1HG THR 10 -5.131 -6.682 6.825
66 HG21 THR 10 3HG2 THR 10 -2.163 -8.914 5.201
67 HG22 THR 10 1HG2 THR 10 -3.026 -7.871 4.045
68 HG23 THR 10 2HG2 THR 10 -2.144 -7.146 5.411
69 H CYS 11 H CYS 11 -4.618 -8.220 2.644
70 HA CYS 11 HA CYS 11 -5.381 -5.558 2.321
71 HB2 CYS 11 1HB CYS 11 -3.788 -6.975 0.910
72 HB3 CYS 11 2HB CYS 11 -5.215 -7.596 0.105
73 HA PRO 12 HA PRO 12 -9.688 -6.144 1.887
74 HB2 PRO 12 1HB PRO 12 -10.387 -3.667 0.970
75 HB3 PRO 12 2HB PRO 12 -10.127 -4.023 2.666
76 HG2 PRO 12 1HG PRO 12 -8.372 -2.561 0.789
77 HG3 PRO 12 2HG PRO 12 -8.346 -2.563 2.541
78 HD2 PRO 12 1HD PRO 12 -6.549 -3.961 0.796
79 HD3 PRO 12 2HD PRO 12 -6.596 -4.054 2.545
80 H TYR 13 H TYR 13 -7.681 -5.232 -0.746
81 HA TYR 13 HA TYR 13 -9.792 -6.139 -2.579
82 HB2 TYR 13 1HB TYR 13 -7.161 -4.593 -3.015
83 HB3 TYR 13 2HB TYR 13 -8.399 -4.837 -4.231
84 HD1 TYR 13 2HD TYR 13 -10.766 -3.851 -3.702
85 HD2 TYR 13 1HD TYR 13 -7.179 -2.653 -1.703
86 HE1 TYR 13 2HE TYR 13 -11.876 -1.675 -2.999
87 HE2 TYR 13 1HE TYR 13 -8.301 -0.481 -1.006
88 HH TYR 13 HH TYR 13 -11.640 0.223 -2.004
89 H LYS 14 H LYS 14 -8.547 -6.988 -4.756
90 HA LYS 14 HA LYS 14 -6.278 -8.628 -4.090
91 HB2 LYS 14 1HB LYS 14 -7.335 -10.756 -4.583
92 HB3 LYS 14 2HB LYS 14 -8.119 -9.991 -3.215
93 HG2 LYS 14 1HG LYS 14 -9.164 -9.744 -6.072
94 HG3 LYS 14 2HG LYS 14 -9.688 -11.006 -4.974
95 HD2 LYS 14 1HD LYS 14 -11.207 -9.577 -4.091
96 HD3 LYS 14 2HD LYS 14 -9.897 -8.577 -3.497
97 HE2 LYS 14 1HE LYS 14 -10.909 -6.999 -4.848
98 HE3 LYS 14 2HE LYS 14 -9.880 -7.728 -6.065
99 HZ1 LYS 14 3HZ LYS 14 -12.432 -8.996 -5.636
100 HZ2 LYS 14 1HZ LYS 14 -12.473 -7.521 -6.336
101 HZ3 LYS 14 2HZ LYS 14 -11.621 -8.730 -7.029
102 H ASN 15 H ASN 15 -7.256 -10.392 -6.481
103 HA ASN 15 HA ASN 15 -7.175 -10.390 -8.658
104 HB2 ASN 15 1HB ASN 15 -8.154 -7.737 -8.146
105 HB3 ASN 15 2HB ASN 15 -6.906 -7.570 -9.366
106 HD21 ASN 15 1HD2 ASN 15 -8.292 -7.071 -11.004
107 HD22 ASN 15 2HD2 ASN 15 -9.384 -8.199 -11.736
108 H ASP 16 H ASP 16 -5.445 -7.290 -7.798
109 HA ASP 16 HA ASP 16 -2.954 -8.601 -8.464
110 HB2 ASP 16 1HB ASP 16 -4.285 -6.603 -10.095
111 HB3 ASP 16 2HB ASP 16 -2.817 -5.901 -9.445
112 H SER 17 H SER 17 -1.052 -7.314 -7.581
113 HA SER 17 HA SER 17 -1.760 -6.178 -5.090
114 HB2 SER 17 1HB SER 17 0.235 -7.469 -5.102
115 HB3 SER 17 2HB SER 17 0.843 -6.695 -6.551
116 HG SER 17 HG SER 17 1.021 -5.881 -3.869
117 H GLN 18 H GLN 18 -0.840 -5.005 -8.320
118 HA GLN 18 HA GLN 18 -0.106 -2.433 -7.541
119 HB2 GLN 18 1HB GLN 18 0.267 -3.678 -9.796
120 HB3 GLN 18 2HB GLN 18 -1.346 -3.142 -10.222
121 HG2 GLN 18 1HG GLN 18 -0.742 -0.852 -10.207
122 HG3 GLN 18 2HG GLN 18 0.643 -1.118 -9.167
123 HE21 GLN 18 1HE2 GLN 18 2.570 -1.241 -10.045
124 HE22 GLN 18 2HE2 GLN 18 2.940 -1.496 -11.718
125 H LEU 19 H LEU 19 -3.163 -4.045 -7.623
126 HA LEU 19 HA LEU 19 -4.779 -1.795 -8.224
127 HB2 LEU 19 1HB LEU 19 -5.634 -3.962 -8.628
128 HB3 LEU 19 2HB LEU 19 -5.293 -4.494 -6.993
129 HG LEU 19 HG LEU 19 -7.028 -2.950 -6.133
130 HD11 LEU 19 1HD1 LEU 19 -8.062 -2.505 -8.906
131 HD12 LEU 19 2HD1 LEU 19 -8.313 -1.556 -7.421
132 HD13 LEU 19 3HD1 LEU 19 -6.761 -1.460 -8.287
133 HD21 LEU 19 3HD2 LEU 19 -8.830 -4.276 -7.858
134 HD22 LEU 19 1HD2 LEU 19 -7.416 -5.342 -7.674
135 HD23 LEU 19 2HD2 LEU 19 -8.291 -4.769 -6.234
136 H ALA 20 H ALA 20 -4.267 -3.585 -5.097
137 HA ALA 20 HA ALA 20 -5.426 -1.615 -3.521
138 HB1 ALA 20 3HB ALA 20 -3.665 -3.994 -3.149
139 HB2 ALA 20 1HB ALA 20 -3.702 -2.817 -1.814
140 HB3 ALA 20 2HB ALA 20 -5.211 -3.581 -2.368
141 H TRP 21 H TRP 21 -2.170 -1.944 -4.922
142 HA TRP 21 HA TRP 21 -0.963 0.009 -3.260
143 HB2 TRP 21 1HB TRP 21 0.501 -1.511 -4.229
144 HB3 TRP 21 2HB TRP 21 -0.232 -1.379 -5.815
145 HD1 TRP 21 HD TRP 21 0.352 1.003 -7.192
146 HE1 TRP 21 1HE TRP 21 2.489 2.551 -7.215
147 HE3 TRP 21 3HE TRP 21 2.284 -0.710 -2.812
148 HZ2 TRP 21 2HZ TRP 21 4.699 2.877 -5.438
149 HZ3 TRP 21 3HZ TRP 21 4.435 0.276 -2.027
150 HH2 TRP 21 HH TRP 21 5.635 2.009 -3.263
151 H ASP 22 H ASP 22 -2.737 -0.033 -6.382
152 HA ASP 22 HA ASP 22 -2.105 2.554 -7.134
153 HB2 ASP 22 1HB ASP 22 -3.956 0.434 -7.925
154 HB3 ASP 22 2HB ASP 22 -4.755 1.990 -8.022
155 H THR 23 H THR 23 -3.978 1.313 -4.523
156 HA THR 23 HA THR 23 -5.783 3.600 -4.416
157 HB THR 23 HB THR 23 -5.562 0.860 -3.192
158 HG1 THR 23 1HG THR 23 -7.929 1.222 -3.646
159 HG21 THR 23 3HG2 THR 23 -5.718 2.532 -1.223
160 HG22 THR 23 1HG2 THR 23 -7.259 3.069 -1.934
161 HG23 THR 23 2HG2 THR 23 -7.075 1.389 -1.374
162 H CYS 24 H CYS 24 -3.566 1.968 -2.048
163 HA CYS 24 HA CYS 24 -3.451 4.267 -0.444
164 HB2 CYS 24 1HB CYS 24 -2.892 2.550 0.868
165 HB3 CYS 24 2HB CYS 24 -2.291 1.582 -0.464
166 H SER 25 H SER 25 -0.730 2.632 -2.231
167 HA SER 25 HA SER 25 0.643 5.123 -2.360
168 HB2 SER 25 1HB SER 25 2.045 3.330 -3.975
169 HB3 SER 25 2HB SER 25 2.340 3.627 -2.274
170 HG SER 25 HG SER 25 0.546 1.621 -3.354
171 H GLY 26 H GLY 26 -1.667 5.653 -3.649
172 HA2 GLY 26 1HA GLY 26 -0.997 5.448 -6.525
173 HA3 GLY 26 2HA GLY 26 -2.630 5.393 -5.894
174 H GLY 27 H GLY 27 -0.823 7.501 -3.934
175 HA2 GLY 27 1HA GLY 27 -0.281 9.765 -4.220
176 HA3 GLY 27 2HA GLY 27 -1.300 9.842 -5.644
177 H THR 28 H THR 28 -3.605 8.408 -4.479
178 HA THR 28 HA THR 28 -4.390 10.213 -2.307
179 HB THR 28 HB THR 28 -6.562 10.589 -3.550
180 HG1 THR 28 1HG THR 28 -6.552 9.790 -5.755
181 HG21 THR 28 3HG2 THR 28 -4.867 12.338 -3.892
182 HG22 THR 28 1HG2 THR 28 -3.999 11.315 -5.063
183 HG23 THR 28 2HG2 THR 28 -5.606 11.964 -5.467
184 H GLY 29 H GLY 29 -7.079 9.335 -2.153
185 HA2 GLY 29 1HA GLY 29 -8.369 7.514 -1.634
186 HA3 GLY 29 2HA GLY 29 -7.026 6.440 -1.971
187 H ASN 30 H ASN 30 -6.641 5.258 -0.139
188 HA ASN 30 HA ASN 30 -6.774 6.691 2.380
189 HB2 ASN 30 1HB ASN 30 -6.962 4.483 3.430
190 HB3 ASN 30 2HB ASN 30 -8.094 4.545 2.094
191 HD21 ASN 30 1HD2 ASN 30 -7.613 2.140 2.808
192 HD22 ASN 30 2HD2 ASN 30 -6.497 1.289 1.792
193 H CYS 31 H CYS 31 -4.524 7.213 0.681
194 HA CYS 31 HA CYS 31 -2.376 5.509 1.024
195 HB2 CYS 31 1HB CYS 31 -1.120 7.113 0.020
196 HB3 CYS 31 2HB CYS 31 -2.722 7.627 -0.472
197 H GLY 32 H GLY 32 -0.797 5.308 2.667
198 HA2 GLY 32 1HA GLY 32 -0.255 7.093 4.697
199 HA3 GLY 32 2HA GLY 32 -1.575 6.104 5.289
200 H THR 33 H THR 33 0.519 5.737 6.809
201 HA THR 33 HA THR 33 2.331 3.763 5.732
202 HB THR 33 HB THR 33 1.957 4.856 8.570
203 HG1 THR 33 1HG THR 33 3.800 5.560 6.403
204 HG21 THR 33 3HG2 THR 33 4.319 3.556 7.113
205 HG22 THR 33 1HG2 THR 33 4.426 4.347 8.704
206 HG23 THR 33 2HG2 THR 33 3.446 2.874 8.506
207 H VAL 34 H VAL 34 -0.863 3.672 6.742
208 HA VAL 34 HA VAL 34 -0.742 1.289 8.299
209 HB VAL 34 HB VAL 34 -2.982 2.750 6.890
210 HG11 VAL 34 1HG1 VAL 34 -4.561 1.358 8.000
211 HG12 VAL 34 2HG1 VAL 34 -3.385 0.264 7.232
212 HG13 VAL 34 3HG1 VAL 34 -3.296 0.580 8.982
213 HG21 VAL 34 3HG2 VAL 34 -2.947 4.130 8.639
214 HG22 VAL 34 1HG2 VAL 34 -3.200 2.754 9.740
215 HG23 VAL 34 2HG2 VAL 34 -1.548 3.256 9.308
216 H CYS 35 H CYS 35 -1.336 2.130 4.846
217 HA CYS 35 HA CYS 35 -2.069 -0.435 4.049
218 HB2 CYS 35 1HB CYS 35 -2.471 0.670 2.184
219 HB3 CYS 35 2HB CYS 35 -1.687 2.089 2.848
220 H CYS 36 H CYS 36 0.903 0.874 5.210
221 HA CYS 36 HA CYS 36 2.793 -0.414 3.690
222 HB2 CYS 36 1HB CYS 36 4.290 0.242 5.252
223 HB3 CYS 36 2HB CYS 36 2.953 1.286 5.694
224 H GLY 37 H GLY 37 1.113 -1.494 6.734
225 HA2 GLY 37 1HA GLY 37 1.902 -4.267 6.070
226 HA3 GLY 37 2HA GLY 37 1.666 -3.646 7.692
227 H GLN 38 H GLN 38 -0.343 -3.098 4.727
228 HA GLN 38 HA GLN 38 -2.507 -4.425 6.167
229 HB2 GLN 38 1HB GLN 38 -2.592 -1.830 5.814
230 HB3 GLN 38 2HB GLN 38 -2.953 -2.210 4.142
231 HG2 GLN 38 1HG GLN 38 -5.099 -2.047 5.119
232 HG3 GLN 38 2HG GLN 38 -4.816 -3.776 5.087
233 HE21 GLN 38 1HE2 GLN 38 -6.336 -3.989 6.765
234 HE22 GLN 38 2HE2 GLN 38 -5.933 -3.668 8.419
235 H CYS 39 H CYS 39 -0.951 -3.690 3.010
236 HA CYS 39 HA CYS 39 -2.385 -6.006 1.927
237 HB2 CYS 39 1HB CYS 39 -1.605 -3.444 0.526
238 HB3 CYS 39 2HB CYS 39 -2.110 -4.896 -0.315
239 H PHE 40 H PHE 40 0.600 -4.024 2.172
240 HA PHE 40 HA PHE 40 2.082 -6.313 1.079
241 HB2 PHE 40 1HB PHE 40 3.161 -3.478 1.244
242 HB3 PHE 40 2HB PHE 40 3.524 -4.706 0.048
243 HD1 PHE 40 2HD PHE 40 1.141 -2.107 1.045
244 HD2 PHE 40 1HD PHE 40 2.125 -4.997 -1.901
245 HE1 PHE 40 2HE PHE 40 -0.491 -1.046 -0.540
246 HE2 PHE 40 1HE PHE 40 0.493 -3.937 -3.486
247 HZ PHE 40 HZ PHE 40 -0.796 -1.974 -2.787
248 H SER 41 H SER 41 4.621 -5.832 1.834
249 HA SER 41 HA SER 41 4.609 -5.066 4.607
250 HB2 SER 41 1HB SER 41 4.586 -7.170 5.421
251 HB3 SER 41 2HB SER 41 4.482 -7.823 3.798
252 HG SER 41 HG SER 41 6.830 -7.294 5.376
253 H PHE 42 H PHE 42 6.870 -4.816 5.457
254 HA PHE 42 HA PHE 42 8.509 -3.514 3.683
255 HB2 PHE 42 1HB PHE 42 8.383 -4.297 6.442
256 HB3 PHE 42 2HB PHE 42 9.935 -4.886 5.880
257 HD1 PHE 42 2HD PHE 42 7.846 -1.807 5.971
258 HD2 PHE 42 1HD PHE 42 11.758 -3.440 5.772
259 HE1 PHE 42 2HE PHE 42 8.818 0.490 6.247
260 HE2 PHE 42 1HE PHE 42 12.730 -1.143 6.048
261 HZ PHE 42 HZ PHE 42 11.249 0.795 6.282
262 HA PRO 43 HA PRO 43 10.624 -3.170 3.745
263 HB2 PRO 43 1HB PRO 43 12.311 -2.677 1.653
264 HB3 PRO 43 2HB PRO 43 12.858 -3.289 3.201
265 HG2 PRO 43 1HG PRO 43 12.546 -4.735 0.642
266 HG3 PRO 43 2HG PRO 43 13.471 -5.196 2.058
267 HD2 PRO 43 1HD PRO 43 10.929 -6.251 1.250
268 HD3 PRO 43 2HD PRO 43 11.799 -6.626 2.724
269 H VAL 44 H VAL 44 8.607 -4.544 1.735
270 HA VAL 44 HA VAL 44 8.260 -2.502 -0.197
271 HB VAL 44 HB VAL 44 6.127 -4.419 0.693
272 HG11 VAL 44 1HG1 VAL 44 5.770 -4.524 -1.807
273 HG12 VAL 44 2HG1 VAL 44 5.457 -2.940 -1.059
274 HG13 VAL 44 3HG1 VAL 44 6.968 -3.216 -1.960
275 HG21 VAL 44 3HG2 VAL 44 7.516 -6.157 0.455
276 HG22 VAL 44 1HG2 VAL 44 7.569 -5.760 -1.280
277 HG23 VAL 44 2HG2 VAL 44 8.819 -5.125 -0.182
278 H SER 45 H SER 45 6.887 -3.227 3.045
279 HA SER 45 HA SER 45 4.803 -1.495 3.032
280 HB2 SER 45 1HB SER 45 4.747 -2.556 5.038
281 HB3 SER 45 2HB SER 45 6.478 -2.827 5.037
282 HG SER 45 HG SER 45 5.932 -1.460 6.794
283 H GLN 46 H GLN 46 8.216 -0.807 2.865
284 HA GLN 46 HA GLN 46 7.981 1.811 3.969
285 HB2 GLN 46 1HB GLN 46 10.066 0.285 3.996
286 HB3 GLN 46 2HB GLN 46 10.290 0.722 2.314
287 HG2 GLN 46 1HG GLN 46 10.211 3.183 3.052
288 HG3 GLN 46 2HG GLN 46 10.255 2.613 4.709
289 HE21 GLN 46 1HE2 GLN 46 11.953 2.691 1.635
290 HE22 GLN 46 2HE2 GLN 46 13.552 2.407 2.236
291 H SER 47 H SER 47 7.847 0.248 0.777
292 HA SER 47 HA SER 47 8.164 2.672 -0.645
293 HB2 SER 47 1HB SER 47 7.322 1.230 -2.592
294 HB3 SER 47 2HB SER 47 8.789 0.685 -1.804
295 HG SER 47 HG SER 47 6.249 -0.513 -1.903
296 H CYS 48 H CYS 48 5.441 0.683 0.580
297 HA CYS 48 HA CYS 48 3.378 1.803 -0.830
298 HB2 CYS 48 1HB CYS 48 2.666 0.029 0.381
299 HB3 CYS 48 2HB CYS 48 3.667 0.413 1.767
300 H ALA 49 H ALA 49 4.726 2.775 2.413
301 HA ALA 49 HA ALA 49 3.144 5.114 2.563
302 HB1 ALA 49 3HB ALA 49 5.262 5.525 4.266
303 HB2 ALA 49 1HB ALA 49 3.807 4.580 4.668
304 HB3 ALA 49 2HB ALA 49 5.277 3.753 4.100
305 H GLY 50 H GLY 50 5.992 4.240 0.782
306 HA2 GLY 50 1HA GLY 50 7.156 6.862 0.664
307 HA3 GLY 50 2HA GLY 50 7.579 5.455 -0.291
308 H MET 51 H MET 51 5.295 4.750 -1.645
309 HA MET 51 HA MET 51 5.067 6.970 -3.440
310 HB2 MET 51 1HB MET 51 5.410 4.528 -4.137
311 HB3 MET 51 2HB MET 51 3.797 4.178 -3.548
312 HG2 MET 51 1HG MET 51 2.993 4.777 -5.587
313 HG3 MET 51 2HG MET 51 3.452 6.430 -5.229
314 HE1 MET 51 3HE MET 51 4.361 5.222 -8.852
315 HE2 MET 51 1HE MET 51 3.063 5.773 -7.766
316 HE3 MET 51 2HE MET 51 4.362 6.894 -8.242
317 H ALA 52 H ALA 52 3.686 6.687 -0.612
318 HA ALA 52 HA ALA 52 0.901 6.860 -1.427
319 HB1 ALA 52 3HB ALA 52 1.055 7.363 1.299
320 HB2 ALA 52 1HB ALA 52 0.781 5.772 0.550
321 HB3 ALA 52 2HB ALA 52 2.427 6.264 1.017
322 H ASP 53 H ASP 53 2.844 8.871 -2.389
323 HA ASP 53 HA ASP 53 3.014 11.018 -2.633
324 HB2 ASP 53 1HB ASP 53 0.228 10.630 -1.744
325 HB3 ASP 53 2HB ASP 53 0.823 12.228 -1.339
326 H SER 54 H SER 54 3.347 13.172 -1.393
327 HA SER 54 HA SER 54 4.144 12.511 1.316
328 HB2 SER 54 1HB SER 54 5.210 14.224 -0.824
329 HB3 SER 54 2HB SER 54 5.109 15.081 0.701
330 HG SER 54 HG SER 54 6.242 13.169 1.667
331 H ASN 55 H ASN 55 3.403 15.759 -0.062
332 HA ASN 55 HA ASN 55 1.495 16.071 2.105
333 HB2 ASN 55 1HB ASN 55 3.606 17.691 1.328
334 HB3 ASN 55 2HB ASN 55 2.282 18.448 0.464
335 HD21 ASN 55 1HD2 ASN 55 0.324 18.961 1.693
336 HD22 ASN 55 2HD2 ASN 55 0.463 19.490 3.336
337 H ASP 56 H ASP 56 1.718 15.376 -1.210
338 HA ASP 56 HA ASP 56 -0.326 17.043 -2.186
339 HB2 ASP 56 1HB ASP 56 1.564 15.661 -3.424
340 HB3 ASP 56 2HB ASP 56 0.403 14.349 -3.376
341 H CYS 57 H CYS 57 -0.177 14.137 -0.269
342 HA CYS 57 HA CYS 57 -2.636 13.009 -1.141
343 HB2 CYS 57 1HB CYS 57 -0.470 12.264 0.556
344 HB3 CYS 57 2HB CYS 57 -1.946 12.144 1.493
345 HA PRO 58 HA PRO 58 -5.317 15.107 1.591
346 HB2 PRO 58 1HB PRO 58 -6.881 13.198 2.763
347 HB3 PRO 58 2HB PRO 58 -7.126 13.763 1.123
348 HG2 PRO 58 1HG PRO 58 -5.951 11.213 2.050
349 HG3 PRO 58 2HG PRO 58 -6.588 11.617 0.468
350 HD2 PRO 58 1HD PRO 58 -3.823 11.442 1.211
351 HD3 PRO 58 2HD PRO 58 -4.462 11.958 -0.337
352 H ASN 59 H ASN 59 -2.862 13.385 2.834
353 HA ASN 59 HA ASN 59 -3.613 13.649 5.563
354 HB2 ASN 59 1HB ASN 59 -0.881 13.068 4.299
355 HB3 ASN 59 2HB ASN 59 -1.272 12.855 5.994
356 HD21 ASN 59 1HD2 ASN 59 -2.929 11.335 6.582
357 HD22 ASN 59 2HD2 ASN 59 -3.215 9.923 5.620
358 H ALA 60 H ALA 60 -2.550 15.137 7.102
359 HA ALA 60 HA ALA 60 -1.988 17.212 7.689
360 HB1 ALA 60 3HB ALA 60 0.308 17.573 5.984
361 HB2 ALA 60 1HB ALA 60 0.255 17.134 7.708
362 HB3 ALA 60 2HB ALA 60 0.204 15.862 6.464
Start of MODEL 8
1 H1 ASP 1 H ASP 1 9.930 -5.218 -5.755
2 HA ASP 1 HA ASP 1 8.241 -6.253 -7.571
3 HB2 ASP 1 1HB ASP 1 9.589 -8.467 -5.955
4 HB3 ASP 1 2HB ASP 1 8.105 -8.688 -6.859
5 H ILE 2 H ILE 2 6.197 -6.066 -6.578
6 HA ILE 2 HA ILE 2 6.210 -6.029 -3.641
7 HB ILE 2 HB ILE 2 4.773 -4.277 -3.640
8 HG12 ILE 2 1HG1 ILE 2 3.823 -5.069 -6.409
9 HG13 ILE 2 2HG1 ILE 2 2.987 -5.370 -4.899
10 HG21 ILE 2 1HG2 ILE 2 6.910 -3.640 -4.761
11 HG22 ILE 2 2HG2 ILE 2 6.087 -3.818 -6.330
12 HG23 ILE 2 3HG2 ILE 2 5.530 -2.591 -5.166
13 HD11 ILE 2 3HD1 ILE 2 3.084 -2.921 -6.511
14 HD12 ILE 2 1HD1 ILE 2 1.960 -3.370 -5.205
15 HD13 ILE 2 2HD1 ILE 2 3.522 -2.612 -4.813
16 H GLU 3 H GLU 3 4.652 -7.227 -6.625
17 HA GLU 3 HA GLU 3 2.414 -8.323 -5.493
18 HB2 GLU 3 1HB GLU 3 2.374 -9.807 -7.482
19 HB3 GLU 3 2HB GLU 3 2.757 -8.154 -7.919
20 HG2 GLU 3 1HG GLU 3 5.131 -8.670 -8.119
21 HG3 GLU 3 2HG GLU 3 4.908 -10.257 -7.410
22 H ASP 4 H ASP 4 5.797 -9.422 -5.477
23 HA ASP 4 HA ASP 4 5.194 -12.053 -4.693
24 HB2 ASP 4 1HB ASP 4 7.520 -10.464 -5.310
25 HB3 ASP 4 2HB ASP 4 7.796 -11.210 -3.748
26 H PHE 5 H PHE 5 4.777 -9.086 -3.155
27 HA PHE 5 HA PHE 5 5.093 -10.323 -0.513
28 HB2 PHE 5 1HB PHE 5 5.894 -7.628 -1.680
29 HB3 PHE 5 2HB PHE 5 5.399 -7.664 0.001
30 HD1 PHE 5 1HD PHE 5 7.952 -8.727 -2.396
31 HD2 PHE 5 2HD PHE 5 6.770 -8.755 1.679
32 HE1 PHE 5 1HE PHE 5 10.264 -9.439 -1.731
33 HE2 PHE 5 2HE PHE 5 9.083 -9.467 2.345
34 HZ PHE 5 HZ PHE 5 10.803 -9.801 0.632
35 H TYR 6 H TYR 6 2.804 -9.856 -2.595
36 HA TYR 6 HA TYR 6 1.107 -7.956 -1.282
37 HB2 TYR 6 1HB TYR 6 1.233 -8.695 -3.785
38 HB3 TYR 6 2HB TYR 6 0.523 -10.219 -3.289
39 HD1 TYR 6 2HD TYR 6 -0.444 -6.925 -1.878
40 HD2 TYR 6 1HD TYR 6 -1.485 -10.071 -4.583
41 HE1 TYR 6 2HE TYR 6 -2.769 -5.933 -2.148
42 HE2 TYR 6 1HE TYR 6 -3.807 -9.069 -4.844
43 HH TYR 6 HH TYR 6 -5.300 -7.660 -3.658
44 H THR 7 H THR 7 -0.499 -8.313 0.215
45 HA THR 7 HA THR 7 -0.953 -11.124 0.973
46 HB THR 7 HB THR 7 -0.891 -10.440 3.291
47 HG1 THR 7 1HG THR 7 -0.612 -7.988 3.578
48 HG21 THR 7 3HG2 THR 7 1.322 -9.703 3.571
49 HG22 THR 7 1HG2 THR 7 1.397 -10.255 1.880
50 HG23 THR 7 2HG2 THR 7 1.200 -8.524 2.244
51 H SER 8 H SER 8 -2.789 -11.348 -0.339
52 HA SER 8 HA SER 8 -4.817 -9.430 -0.333
53 HB2 SER 8 1HB SER 8 -5.252 -10.733 -2.135
54 HB3 SER 8 2HB SER 8 -4.313 -12.065 -1.492
55 HG SER 8 HG SER 8 -7.097 -11.548 -1.297
56 H GLU 9 H GLU 9 -3.747 -11.560 2.089
57 HA GLU 9 HA GLU 9 -6.211 -12.388 3.127
58 HB2 GLU 9 1HB GLU 9 -3.529 -12.931 3.630
59 HB3 GLU 9 2HB GLU 9 -4.007 -12.064 5.076
60 HG2 GLU 9 1HG GLU 9 -6.171 -13.762 4.719
61 HG3 GLU 9 2HG GLU 9 -4.856 -14.749 4.112
62 H THR 10 H THR 10 -3.943 -9.685 3.979
63 HA THR 10 HA THR 10 -5.998 -8.579 5.738
64 HB THR 10 HB THR 10 -3.811 -8.677 6.741
65 HG1 THR 10 1HG THR 10 -4.212 -6.552 7.209
66 HG21 THR 10 3HG2 THR 10 -2.081 -8.920 5.215
67 HG22 THR 10 1HG2 THR 10 -2.912 -7.949 3.977
68 HG23 THR 10 2HG2 THR 10 -2.040 -7.143 5.303
69 H CYS 11 H CYS 11 -4.489 -8.119 2.577
70 HA CYS 11 HA CYS 11 -5.194 -5.437 2.253
71 HB2 CYS 11 1HB CYS 11 -3.583 -6.860 0.877
72 HB3 CYS 11 2HB CYS 11 -4.993 -7.471 0.034
73 HA PRO 12 HA PRO 12 -9.496 -5.950 1.693
74 HB2 PRO 12 1HB PRO 12 -10.128 -3.463 0.753
75 HB3 PRO 12 2HB PRO 12 -9.920 -3.819 2.456
76 HG2 PRO 12 1HG PRO 12 -8.090 -2.392 0.625
77 HG3 PRO 12 2HG PRO 12 -8.112 -2.390 2.378
78 HD2 PRO 12 1HD PRO 12 -6.292 -3.822 0.685
79 HD3 PRO 12 2HD PRO 12 -6.388 -3.910 2.433
80 H TYR 13 H TYR 13 -7.286 -5.780 -0.730
81 HA TYR 13 HA TYR 13 -9.409 -6.335 -2.691
82 HB2 TYR 13 1HB TYR 13 -6.605 -5.162 -3.159
83 HB3 TYR 13 2HB TYR 13 -7.926 -5.188 -4.311
84 HD1 TYR 13 1HD TYR 13 -9.970 -3.732 -3.864
85 HD2 TYR 13 2HD TYR 13 -6.330 -3.351 -1.649
86 HE1 TYR 13 1HE TYR 13 -10.666 -1.407 -3.106
87 HE2 TYR 13 2HE TYR 13 -7.038 -1.027 -0.899
88 HH TYR 13 HH TYR 13 -10.049 0.414 -2.096
89 H LYS 14 H LYS 14 -8.956 -7.979 -4.260
90 HA LYS 14 HA LYS 14 -6.507 -9.497 -3.812
91 HB2 LYS 14 1HB LYS 14 -7.585 -11.545 -3.426
92 HB3 LYS 14 2HB LYS 14 -8.398 -10.407 -2.370
93 HG2 LYS 14 1HG LYS 14 -9.411 -11.251 -5.127
94 HG3 LYS 14 2HG LYS 14 -9.995 -11.900 -3.608
95 HD2 LYS 14 1HD LYS 14 -11.503 -10.206 -3.556
96 HD3 LYS 14 2HD LYS 14 -10.170 -9.110 -3.252
97 HE2 LYS 14 1HE LYS 14 -11.411 -8.299 -5.195
98 HE3 LYS 14 2HE LYS 14 -9.838 -8.853 -5.734
99 HZ1 LYS 14 3HZ LYS 14 -12.139 -9.650 -6.780
100 HZ2 LYS 14 1HZ LYS 14 -10.757 -10.515 -6.868
101 HZ3 LYS 14 2HZ LYS 14 -11.870 -10.870 -5.728
102 H ASN 15 H ASN 15 -7.518 -7.582 -5.871
103 HA ASN 15 HA ASN 15 -8.073 -9.362 -8.070
104 HB2 ASN 15 1HB ASN 15 -9.006 -6.849 -7.490
105 HB3 ASN 15 2HB ASN 15 -7.648 -6.415 -8.510
106 HD21 ASN 15 1HD2 ASN 15 -10.651 -6.383 -8.811
107 HD22 ASN 15 2HD2 ASN 15 -10.977 -7.150 -10.329
108 H ASP 16 H ASP 16 -5.665 -6.934 -6.876
109 HA ASP 16 HA ASP 16 -3.585 -8.302 -8.203
110 HB2 ASP 16 1HB ASP 16 -4.836 -5.977 -9.496
111 HB3 ASP 16 2HB ASP 16 -3.141 -5.677 -9.168
112 H SER 17 H SER 17 -1.437 -7.344 -7.536
113 HA SER 17 HA SER 17 -1.626 -6.242 -4.951
114 HB2 SER 17 1HB SER 17 0.997 -6.058 -5.402
115 HB3 SER 17 2HB SER 17 0.233 -7.609 -5.119
116 HG SER 17 HG SER 17 1.516 -6.679 -7.380
117 H GLN 18 H GLN 18 -0.998 -5.005 -8.239
118 HA GLN 18 HA GLN 18 0.003 -2.521 -7.355
119 HB2 GLN 18 1HB GLN 18 -1.074 -3.496 -10.031
120 HB3 GLN 18 2HB GLN 18 -0.459 -1.871 -9.801
121 HG2 GLN 18 1HG GLN 18 1.754 -2.635 -9.339
122 HG3 GLN 18 2HG GLN 18 1.218 -4.263 -8.972
123 HE21 GLN 18 1HE2 GLN 18 3.242 -3.344 -10.836
124 HE22 GLN 18 2HE2 GLN 18 2.814 -3.927 -12.409
125 H LEU 19 H LEU 19 -3.194 -3.921 -7.850
126 HA LEU 19 HA LEU 19 -4.626 -1.548 -8.246
127 HB2 LEU 19 1HB LEU 19 -5.719 -3.499 -8.825
128 HB3 LEU 19 2HB LEU 19 -5.274 -4.325 -7.345
129 HG LEU 19 HG LEU 19 -7.715 -3.682 -7.627
130 HD11 LEU 19 1HD1 LEU 19 -6.427 -4.240 -5.451
131 HD12 LEU 19 2HD1 LEU 19 -6.577 -2.500 -5.106
132 HD13 LEU 19 3HD1 LEU 19 -8.038 -3.491 -5.336
133 HD21 LEU 19 3HD2 LEU 19 -7.858 -1.547 -8.431
134 HD22 LEU 19 1HD2 LEU 19 -8.058 -1.236 -6.690
135 HD23 LEU 19 2HD2 LEU 19 -6.479 -0.966 -7.467
136 H ALA 20 H ALA 20 -4.075 -3.502 -5.229
137 HA ALA 20 HA ALA 20 -5.281 -1.639 -3.536
138 HB1 ALA 20 3HB ALA 20 -4.131 -2.914 -1.760
139 HB2 ALA 20 1HB ALA 20 -4.856 -4.003 -2.967
140 HB3 ALA 20 2HB ALA 20 -3.103 -3.696 -2.985
141 H TRP 21 H TRP 21 -1.995 -1.916 -4.909
142 HA TRP 21 HA TRP 21 -0.799 -0.044 -3.168
143 HB2 TRP 21 1HB TRP 21 0.651 -1.509 -4.250
144 HB3 TRP 21 2HB TRP 21 -0.082 -1.250 -5.821
145 HD1 TRP 21 HD TRP 21 0.602 1.113 -7.097
146 HE1 TRP 21 1HE TRP 21 2.714 2.690 -6.969
147 HE3 TRP 21 3HE TRP 21 2.315 -0.669 -2.654
148 HZ2 TRP 21 2HZ TRP 21 4.817 3.008 -5.066
149 HZ3 TRP 21 3HZ TRP 21 4.405 0.329 -1.730
150 HH2 TRP 21 HH TRP 21 5.645 2.106 -2.861
151 H ASP 22 H ASP 22 -2.417 0.112 -6.396
152 HA ASP 22 HA ASP 22 -1.867 2.793 -6.835
153 HB2 ASP 22 1HB ASP 22 -3.570 0.682 -7.974
154 HB3 ASP 22 2HB ASP 22 -4.360 2.244 -8.053
155 H THR 23 H THR 23 -3.908 1.184 -4.565
156 HA THR 23 HA THR 23 -5.950 3.220 -4.442
157 HB THR 23 HB THR 23 -5.452 0.500 -3.464
158 HG1 THR 23 1HG THR 23 -7.729 0.616 -3.717
159 HG21 THR 23 3HG2 THR 23 -6.468 2.619 -1.509
160 HG22 THR 23 1HG2 THR 23 -6.930 0.905 -1.383
161 HG23 THR 23 2HG2 THR 23 -5.223 1.382 -1.215
162 H CYS 24 H CYS 24 -3.341 2.066 -2.193
163 HA CYS 24 HA CYS 24 -3.669 4.503 -0.690
164 HB2 CYS 24 1HB CYS 24 -3.199 3.030 0.907
165 HB3 CYS 24 2HB CYS 24 -2.552 1.861 -0.227
166 H SER 25 H SER 25 -0.801 2.717 -2.064
167 HA SER 25 HA SER 25 0.611 5.178 -2.271
168 HB2 SER 25 1HB SER 25 2.117 3.280 -3.637
169 HB3 SER 25 2HB SER 25 2.260 3.663 -1.933
170 HG SER 25 HG SER 25 1.406 1.765 -1.417
171 H GLY 26 H GLY 26 -1.584 5.644 -3.766
172 HA2 GLY 26 1HA GLY 26 -0.655 5.302 -6.556
173 HA3 GLY 26 2HA GLY 26 -2.338 5.160 -6.087
174 H GLY 27 H GLY 27 -0.861 7.464 -4.064
175 HA2 GLY 27 1HA GLY 27 -0.400 9.749 -4.490
176 HA3 GLY 27 2HA GLY 27 -1.418 9.689 -5.915
177 H THR 28 H THR 28 -3.724 8.363 -4.940
178 HA THR 28 HA THR 28 -4.596 10.084 -2.721
179 HB THR 28 HB THR 28 -6.694 10.504 -4.002
180 HG1 THR 28 1HG THR 28 -6.396 8.408 -5.207
181 HG21 THR 28 3HG2 THR 28 -4.099 11.070 -5.516
182 HG22 THR 28 1HG2 THR 28 -5.680 11.675 -6.065
183 HG23 THR 28 2HG2 THR 28 -5.024 12.198 -4.496
184 H GLY 29 H GLY 29 -7.168 9.207 -2.411
185 HA2 GLY 29 1HA GLY 29 -8.464 7.318 -2.033
186 HA3 GLY 29 2HA GLY 29 -7.075 6.285 -2.306
187 H ASN 30 H ASN 30 -6.692 5.147 -0.449
188 HA ASN 30 HA ASN 30 -6.985 6.598 2.046
189 HB2 ASN 30 1HB ASN 30 -6.697 4.156 2.983
190 HB3 ASN 30 2HB ASN 30 -8.207 4.565 2.193
191 HD21 ASN 30 1HD2 ASN 30 -8.917 3.153 0.805
192 HD22 ASN 30 2HD2 ASN 30 -7.985 2.063 -0.165
193 H CYS 31 H CYS 31 -4.693 7.138 0.345
194 HA CYS 31 HA CYS 31 -2.485 5.575 0.793
195 HB2 CYS 31 1HB CYS 31 -1.272 7.247 -0.152
196 HB3 CYS 31 2HB CYS 31 -2.878 7.688 -0.698
197 H GLY 32 H GLY 32 -1.067 5.312 2.534
198 HA2 GLY 32 1HA GLY 32 -0.701 7.163 4.607
199 HA3 GLY 32 2HA GLY 32 -1.919 6.011 5.117
200 H THR 33 H THR 33 0.219 5.877 6.666
201 HA THR 33 HA THR 33 2.184 4.053 5.560
202 HB THR 33 HB THR 33 1.818 5.294 8.339
203 HG1 THR 33 1HG THR 33 2.903 6.973 7.349
204 HG21 THR 33 3HG2 THR 33 3.357 3.313 8.349
205 HG22 THR 33 1HG2 THR 33 4.246 4.014 6.976
206 HG23 THR 33 2HG2 THR 33 4.260 4.833 8.556
207 H VAL 34 H VAL 34 -0.947 3.749 6.726
208 HA VAL 34 HA VAL 34 -0.491 1.366 8.271
209 HB VAL 34 HB VAL 34 -3.006 2.692 7.239
210 HG11 VAL 34 1HG1 VAL 34 -2.852 0.098 7.989
211 HG12 VAL 34 2HG1 VAL 34 -3.103 0.862 9.577
212 HG13 VAL 34 3HG1 VAL 34 -4.281 1.122 8.268
213 HG21 VAL 34 3HG2 VAL 34 -1.800 2.739 10.025
214 HG22 VAL 34 1HG2 VAL 34 -1.656 4.054 8.834
215 HG23 VAL 34 2HG2 VAL 34 -3.256 3.598 9.467
216 H CYS 35 H CYS 35 -1.350 2.300 4.935
217 HA CYS 35 HA CYS 35 -2.285 -0.188 4.111
218 HB2 CYS 35 1HB CYS 35 -2.654 0.911 2.232
219 HB3 CYS 35 2HB CYS 35 -1.929 2.322 2.976
220 H CYS 36 H CYS 36 0.823 0.895 5.141
221 HA CYS 36 HA CYS 36 2.540 -0.466 3.482
222 HB2 CYS 36 1HB CYS 36 2.835 -0.015 6.460
223 HB3 CYS 36 2HB CYS 36 4.127 -0.412 5.344
224 H GLY 37 H GLY 37 1.744 -1.571 6.852
225 HA2 GLY 37 1HA GLY 37 2.110 -4.335 6.023
226 HA3 GLY 37 2HA GLY 37 1.911 -3.720 7.652
227 H GLN 38 H GLN 38 -0.140 -3.179 4.711
228 HA GLN 38 HA GLN 38 -2.290 -4.482 6.193
229 HB2 GLN 38 1HB GLN 38 -2.472 -1.944 5.974
230 HB3 GLN 38 2HB GLN 38 -2.625 -2.165 4.243
231 HG2 GLN 38 1HG GLN 38 -4.779 -2.948 4.397
232 HG3 GLN 38 2HG GLN 38 -4.439 -3.904 5.825
233 HE21 GLN 38 1HE2 GLN 38 -5.504 -0.879 4.557
234 HE22 GLN 38 2HE2 GLN 38 -5.994 -0.125 6.038
235 H CYS 39 H CYS 39 -0.664 -3.860 3.074
236 HA CYS 39 HA CYS 39 -2.189 -6.109 1.980
237 HB2 CYS 39 1HB CYS 39 -1.324 -3.604 0.522
238 HB3 CYS 39 2HB CYS 39 -1.970 -5.036 -0.254
239 H PHE 40 H PHE 40 0.818 -4.098 1.979
240 HA PHE 40 HA PHE 40 2.257 -6.451 0.976
241 HB2 PHE 40 1HB PHE 40 3.370 -3.626 1.081
242 HB3 PHE 40 2HB PHE 40 3.702 -4.876 -0.101
243 HD1 PHE 40 2HD PHE 40 1.229 -2.351 0.956
244 HD2 PHE 40 1HD PHE 40 2.399 -5.070 -2.084
245 HE1 PHE 40 2HE PHE 40 -0.418 -1.299 -0.618
246 HE2 PHE 40 1HE PHE 40 0.752 -4.018 -3.659
247 HZ PHE 40 HZ PHE 40 -0.637 -2.145 -2.907
248 H SER 41 H SER 41 4.776 -6.148 1.695
249 HA SER 41 HA SER 41 4.799 -5.356 4.483
250 HB2 SER 41 1HB SER 41 6.301 -7.571 4.728
251 HB3 SER 41 2HB SER 41 4.566 -7.594 4.974
252 HG SER 41 HG SER 41 5.698 -9.215 3.409
253 H PHE 42 H PHE 42 7.085 -5.106 5.323
254 HA PHE 42 HA PHE 42 8.634 -3.629 3.601
255 HB2 PHE 42 1HB PHE 42 8.595 -4.583 6.308
256 HB3 PHE 42 2HB PHE 42 10.155 -5.079 5.682
257 HD1 PHE 42 2HD PHE 42 7.959 -2.085 5.969
258 HD2 PHE 42 1HD PHE 42 11.923 -3.569 5.660
259 HE1 PHE 42 2HE PHE 42 8.855 0.225 6.368
260 HE2 PHE 42 1HE PHE 42 12.819 -1.258 6.059
261 HZ PHE 42 HZ PHE 42 11.274 0.611 6.408
262 HA PRO 43 HA PRO 43 10.739 -3.213 3.648
263 HB2 PRO 43 1HB PRO 43 12.365 -2.529 1.561
264 HB3 PRO 43 2HB PRO 43 12.964 -3.216 3.058
265 HG2 PRO 43 1HG PRO 43 12.652 -4.511 0.419
266 HG3 PRO 43 2HG PRO 43 13.621 -5.025 1.786
267 HD2 PRO 43 1HD PRO 43 11.102 -6.119 0.959
268 HD3 PRO 43 2HD PRO 43 12.013 -6.553 2.391
269 H VAL 44 H VAL 44 8.748 -4.537 1.567
270 HA VAL 44 HA VAL 44 8.285 -2.372 -0.203
271 HB VAL 44 HB VAL 44 6.239 -4.436 0.538
272 HG11 VAL 44 1HG1 VAL 44 5.476 -2.947 -1.126
273 HG12 VAL 44 2HG1 VAL 44 7.039 -2.959 -1.978
274 HG13 VAL 44 3HG1 VAL 44 5.994 -4.400 -2.015
275 HG21 VAL 44 3HG2 VAL 44 8.965 -4.973 -0.391
276 HG22 VAL 44 1HG2 VAL 44 7.727 -6.087 0.238
277 HG23 VAL 44 2HG2 VAL 44 7.718 -5.625 -1.481
278 H SER 45 H SER 45 7.020 -3.393 2.997
279 HA SER 45 HA SER 45 4.840 -1.781 3.131
280 HB2 SER 45 1HB SER 45 4.885 -3.022 5.038
281 HB3 SER 45 2HB SER 45 6.634 -3.140 5.027
282 HG SER 45 HG SER 45 5.965 -1.958 6.877
283 H GLN 46 H GLN 46 8.191 -0.896 2.921
284 HA GLN 46 HA GLN 46 7.798 1.641 4.201
285 HB2 GLN 46 1HB GLN 46 9.972 1.015 4.614
286 HB3 GLN 46 2HB GLN 46 10.100 0.071 3.143
287 HG2 GLN 46 1HG GLN 46 10.389 2.095 1.789
288 HG3 GLN 46 2HG GLN 46 10.046 3.123 3.166
289 HE21 GLN 46 1HE2 GLN 46 11.565 3.500 4.713
290 HE22 GLN 46 2HE2 GLN 46 13.226 3.026 4.589
291 H SER 47 H SER 47 7.616 0.202 1.004
292 HA SER 47 HA SER 47 8.054 2.615 -0.399
293 HB2 SER 47 1HB SER 47 6.539 0.221 -1.484
294 HB3 SER 47 2HB SER 47 7.544 1.356 -2.362
295 HG SER 47 HG SER 47 9.230 0.373 -0.624
296 H CYS 48 H CYS 48 5.231 0.810 0.884
297 HA CYS 48 HA CYS 48 3.213 2.084 -0.454
298 HB2 CYS 48 1HB CYS 48 2.513 0.294 0.794
299 HB3 CYS 48 2HB CYS 48 3.453 0.749 2.201
300 H ALA 49 H ALA 49 4.488 2.887 2.869
301 HA ALA 49 HA ALA 49 3.154 5.330 3.048
302 HB1 ALA 49 3HB ALA 49 5.105 3.760 4.538
303 HB2 ALA 49 1HB ALA 49 5.489 5.497 4.610
304 HB3 ALA 49 2HB ALA 49 3.890 4.916 5.134
305 H GLY 50 H GLY 50 5.829 4.334 1.101
306 HA2 GLY 50 1HA GLY 50 7.106 6.923 0.972
307 HA3 GLY 50 2HA GLY 50 7.485 5.489 0.039
308 H MET 51 H MET 51 5.260 4.796 -1.339
309 HA MET 51 HA MET 51 4.998 7.032 -3.111
310 HB2 MET 51 1HB MET 51 5.415 4.638 -3.871
311 HB3 MET 51 2HB MET 51 3.839 4.192 -3.249
312 HG2 MET 51 1HG MET 51 2.903 4.825 -5.217
313 HG3 MET 51 2HG MET 51 3.401 6.477 -4.910
314 HE1 MET 51 3HE MET 51 4.052 7.541 -6.467
315 HE2 MET 51 1HE MET 51 5.802 7.518 -6.789
316 HE3 MET 51 2HE MET 51 4.660 6.969 -8.039
317 H ALA 52 H ALA 52 3.606 6.718 -0.306
318 HA ALA 52 HA ALA 52 0.821 6.771 -1.115
319 HB1 ALA 52 3HB ALA 52 2.346 6.709 1.491
320 HB2 ALA 52 1HB ALA 52 0.628 7.173 1.466
321 HB3 ALA 52 2HB ALA 52 1.126 5.570 0.873
322 H ASP 53 H ASP 53 2.932 8.852 -1.933
323 HA ASP 53 HA ASP 53 3.029 10.996 -2.234
324 HB2 ASP 53 1HB ASP 53 0.152 10.567 -1.585
325 HB3 ASP 53 2HB ASP 53 0.698 12.217 -1.359
326 H SER 54 H SER 54 3.415 13.068 -1.043
327 HA SER 54 HA SER 54 3.523 12.578 1.823
328 HB2 SER 54 1HB SER 54 5.349 13.797 -0.120
329 HB3 SER 54 2HB SER 54 5.051 14.878 1.227
330 HG SER 54 HG SER 54 6.062 13.534 2.603
331 H ASN 55 H ASN 55 3.710 15.707 0.039
332 HA ASN 55 HA ASN 55 1.669 16.713 1.788
333 HB2 ASN 55 1HB ASN 55 3.969 17.827 0.740
334 HB3 ASN 55 2HB ASN 55 2.782 18.449 -0.389
335 HD21 ASN 55 1HD2 ASN 55 2.213 20.412 0.116
336 HD22 ASN 55 2HD2 ASN 55 1.881 21.043 1.695
337 H ASP 56 H ASP 56 1.952 15.241 -1.300
338 HA ASP 56 HA ASP 56 0.047 16.779 -2.686
339 HB2 ASP 56 1HB ASP 56 1.883 14.809 -3.341
340 HB3 ASP 56 2HB ASP 56 0.379 13.915 -3.441
341 H CYS 57 H CYS 57 0.044 13.992 -0.467
342 HA CYS 57 HA CYS 57 -2.640 13.227 -1.113
343 HB2 CYS 57 1HB CYS 57 -0.425 12.092 0.291
344 HB3 CYS 57 2HB CYS 57 -1.797 12.136 1.381
345 HA PRO 58 HA PRO 58 -4.601 15.631 1.951
346 HB2 PRO 58 1HB PRO 58 -6.429 13.973 3.125
347 HB3 PRO 58 2HB PRO 58 -6.676 14.713 1.556
348 HG2 PRO 58 1HG PRO 58 -5.977 11.913 2.195
349 HG3 PRO 58 2HG PRO 58 -6.635 12.568 0.709
350 HD2 PRO 58 1HD PRO 58 -3.916 11.790 1.186
351 HD3 PRO 58 2HD PRO 58 -4.550 12.552 -0.259
352 H ASN 59 H ASN 59 -2.183 15.287 2.858
353 HA ASN 59 HA ASN 59 -2.516 14.192 5.517
354 HB2 ASN 59 1HB ASN 59 -0.396 14.143 3.643
355 HB3 ASN 59 2HB ASN 59 0.145 15.293 4.849
356 HD21 ASN 59 1HD2 ASN 59 1.654 13.225 4.744
357 HD22 ASN 59 2HD2 ASN 59 1.388 12.071 6.008
358 H ALA 60 H ALA 60 -0.306 15.822 6.652
359 HA ALA 60 HA ALA 60 -0.717 18.559 6.280
360 HB1 ALA 60 3HB ALA 60 -2.913 17.491 7.501
361 HB2 ALA 60 1HB ALA 60 -1.907 17.881 8.916
362 HB3 ALA 60 2HB ALA 60 -2.345 19.158 7.756
Start of MODEL 9
1 H1 ASP 1 H ASP 1 9.457 -8.765 -5.993
2 HA ASP 1 HA ASP 1 8.830 -6.133 -7.081
3 HB2 ASP 1 1HB ASP 1 7.634 -8.864 -7.618
4 HB3 ASP 1 2HB ASP 1 6.615 -7.446 -7.772
5 H ILE 2 H ILE 2 6.252 -5.745 -6.523
6 HA ILE 2 HA ILE 2 6.115 -5.985 -3.649
7 HB ILE 2 HB ILE 2 4.698 -4.227 -3.703
8 HG12 ILE 2 1HG1 ILE 2 3.672 -5.166 -6.397
9 HG13 ILE 2 2HG1 ILE 2 2.872 -5.360 -4.850
10 HG21 ILE 2 1HG2 ILE 2 5.575 -2.601 -5.084
11 HG22 ILE 2 2HG2 ILE 2 6.857 -3.835 -5.118
12 HG23 ILE 2 3HG2 ILE 2 5.715 -3.701 -6.477
13 HD11 ILE 2 3HD1 ILE 2 1.921 -3.323 -5.089
14 HD12 ILE 2 1HD1 ILE 2 3.537 -2.576 -5.114
15 HD13 ILE 2 2HD1 ILE 2 2.776 -3.103 -6.634
16 H GLU 3 H GLU 3 4.690 -7.402 -6.572
17 HA GLU 3 HA GLU 3 2.407 -8.435 -5.414
18 HB2 GLU 3 1HB GLU 3 2.433 -10.033 -7.338
19 HB3 GLU 3 2HB GLU 3 2.708 -8.374 -7.832
20 HG2 GLU 3 1HG GLU 3 5.046 -8.731 -8.176
21 HG3 GLU 3 2HG GLU 3 5.058 -10.197 -7.217
22 H ASP 4 H ASP 4 5.802 -9.465 -5.304
23 HA ASP 4 HA ASP 4 5.242 -12.083 -4.446
24 HB2 ASP 4 1HB ASP 4 7.732 -10.340 -4.138
25 HB3 ASP 4 2HB ASP 4 7.686 -12.052 -3.766
26 H PHE 5 H PHE 5 4.748 -9.068 -3.015
27 HA PHE 5 HA PHE 5 5.027 -10.214 -0.328
28 HB2 PHE 5 1HB PHE 5 5.805 -7.550 -1.572
29 HB3 PHE 5 2HB PHE 5 5.260 -7.527 0.093
30 HD1 PHE 5 2HD PHE 5 6.543 -8.748 1.831
31 HD2 PHE 5 1HD PHE 5 7.958 -8.410 -2.155
32 HE1 PHE 5 2HE PHE 5 8.847 -9.388 2.595
33 HE2 PHE 5 1HE PHE 5 10.262 -9.050 -1.392
34 HZ PHE 5 HZ PHE 5 10.679 -9.531 0.974
35 H TYR 6 H TYR 6 2.796 -9.749 -2.536
36 HA TYR 6 HA TYR 6 1.027 -7.905 -1.240
37 HB2 TYR 6 1HB TYR 6 1.242 -8.555 -3.751
38 HB3 TYR 6 2HB TYR 6 0.573 -10.120 -3.334
39 HD1 TYR 6 1HD TYR 6 -0.616 -7.008 -1.739
40 HD2 TYR 6 2HD TYR 6 -1.343 -9.908 -4.799
41 HE1 TYR 6 1HE TYR 6 -2.966 -6.093 -2.057
42 HE2 TYR 6 2HE TYR 6 -3.691 -8.984 -5.107
43 HH TYR 6 HH TYR 6 -5.193 -7.116 -2.915
44 H THR 7 H THR 7 -0.465 -8.310 0.327
45 HA THR 7 HA THR 7 -0.957 -11.146 0.962
46 HB THR 7 HB THR 7 -0.933 -10.527 3.276
47 HG1 THR 7 1HG THR 7 -0.938 -8.107 3.696
48 HG21 THR 7 3HG2 THR 7 0.993 -8.400 2.307
49 HG22 THR 7 1HG2 THR 7 1.188 -9.565 3.638
50 HG23 THR 7 2HG2 THR 7 1.357 -10.106 1.951
51 H SER 8 H SER 8 -2.740 -11.411 -0.407
52 HA SER 8 HA SER 8 -4.827 -9.531 -0.396
53 HB2 SER 8 1HB SER 8 -4.471 -10.985 -2.321
54 HB3 SER 8 2HB SER 8 -4.667 -12.424 -1.339
55 HG SER 8 HG SER 8 -6.783 -12.299 -1.601
56 H GLU 9 H GLU 9 -3.756 -11.649 1.981
57 HA GLU 9 HA GLU 9 -6.238 -12.682 2.834
58 HB2 GLU 9 1HB GLU 9 -3.557 -13.178 3.402
59 HB3 GLU 9 2HB GLU 9 -4.122 -12.436 4.886
60 HG2 GLU 9 1HG GLU 9 -6.210 -14.167 4.323
61 HG3 GLU 9 2HG GLU 9 -4.845 -15.065 3.690
62 H THR 10 H THR 10 -4.112 -9.939 3.873
63 HA THR 10 HA THR 10 -6.261 -9.020 5.639
64 HB THR 10 HB THR 10 -4.123 -9.147 6.743
65 HG1 THR 10 1HG THR 10 -4.192 -6.982 7.305
66 HG21 THR 10 3HG2 THR 10 -3.103 -8.059 4.114
67 HG22 THR 10 1HG2 THR 10 -2.260 -7.570 5.604
68 HG23 THR 10 2HG2 THR 10 -2.382 -9.293 5.175
69 H CYS 11 H CYS 11 -4.668 -8.363 2.571
70 HA CYS 11 HA CYS 11 -5.355 -5.664 2.383
71 HB2 CYS 11 1HB CYS 11 -3.702 -6.926 0.967
72 HB3 CYS 11 2HB CYS 11 -5.057 -7.628 0.105
73 HA PRO 12 HA PRO 12 -9.649 -6.138 1.722
74 HB2 PRO 12 1HB PRO 12 -10.264 -3.583 0.971
75 HB3 PRO 12 2HB PRO 12 -10.090 -4.075 2.644
76 HG2 PRO 12 1HG PRO 12 -8.226 -2.507 0.970
77 HG3 PRO 12 2HG PRO 12 -8.282 -2.645 2.716
78 HD2 PRO 12 1HD PRO 12 -6.428 -3.938 0.950
79 HD3 PRO 12 2HD PRO 12 -6.558 -4.166 2.683
80 H TYR 13 H TYR 13 -7.463 -5.201 -0.721
81 HA TYR 13 HA TYR 13 -9.524 -5.667 -2.748
82 HB2 TYR 13 1HB TYR 13 -6.660 -4.542 -2.666
83 HB3 TYR 13 2HB TYR 13 -7.509 -4.788 -4.179
84 HD1 TYR 13 1HD TYR 13 -9.543 -3.430 -4.708
85 HD2 TYR 13 2HD TYR 13 -7.146 -2.660 -1.249
86 HE1 TYR 13 1HE TYR 13 -10.594 -1.126 -4.484
87 HE2 TYR 13 2HE TYR 13 -8.204 -0.358 -1.037
88 HH TYR 13 HH TYR 13 -10.633 0.587 -1.861
89 H LYS 14 H LYS 14 -8.372 -6.709 -4.859
90 HA LYS 14 HA LYS 14 -6.503 -8.777 -4.180
91 HB2 LYS 14 1HB LYS 14 -8.101 -10.589 -5.005
92 HB3 LYS 14 2HB LYS 14 -8.335 -9.991 -3.375
93 HG2 LYS 14 1HG LYS 14 -10.527 -9.895 -4.162
94 HG3 LYS 14 2HG LYS 14 -9.994 -8.271 -4.546
95 HD2 LYS 14 1HD LYS 14 -9.246 -10.010 -6.736
96 HD3 LYS 14 2HD LYS 14 -10.931 -10.304 -6.353
97 HE2 LYS 14 1HE LYS 14 -11.273 -7.755 -6.392
98 HE3 LYS 14 2HE LYS 14 -9.648 -7.620 -7.033
99 HZ1 LYS 14 3HZ LYS 14 -11.676 -7.858 -8.597
100 HZ2 LYS 14 1HZ LYS 14 -10.263 -8.584 -8.975
101 HZ3 LYS 14 2HZ LYS 14 -11.482 -9.457 -8.330
102 H ASN 15 H ASN 15 -7.176 -10.415 -6.503
103 HA ASN 15 HA ASN 15 -7.057 -10.459 -8.688
104 HB2 ASN 15 1HB ASN 15 -8.158 -7.867 -8.318
105 HB3 ASN 15 2HB ASN 15 -6.777 -7.603 -9.363
106 HD21 ASN 15 1HD2 ASN 15 -8.187 -7.047 -11.043
107 HD22 ASN 15 2HD2 ASN 15 -9.039 -8.235 -11.973
108 H ASP 16 H ASP 16 -5.390 -7.338 -7.776
109 HA ASP 16 HA ASP 16 -2.862 -8.640 -8.307
110 HB2 ASP 16 1HB ASP 16 -3.936 -7.148 -10.286
111 HB3 ASP 16 2HB ASP 16 -3.255 -5.836 -9.345
112 H SER 17 H SER 17 -1.002 -7.235 -7.418
113 HA SER 17 HA SER 17 -1.826 -6.135 -4.939
114 HB2 SER 17 1HB SER 17 0.622 -5.811 -4.572
115 HB3 SER 17 2HB SER 17 0.229 -7.446 -5.066
116 HG SER 17 HG SER 17 0.957 -6.995 -7.188
117 H GLN 18 H GLN 18 -0.851 -4.945 -8.145
118 HA GLN 18 HA GLN 18 -0.205 -2.352 -7.362
119 HB2 GLN 18 1HB GLN 18 -1.093 -3.585 -9.992
120 HB3 GLN 18 2HB GLN 18 -0.762 -1.869 -9.862
121 HG2 GLN 18 1HG GLN 18 1.527 -2.186 -9.495
122 HG3 GLN 18 2HG GLN 18 1.305 -3.759 -8.755
123 HE21 GLN 18 1HE2 GLN 18 1.467 -1.956 -11.739
124 HE22 GLN 18 2HE2 GLN 18 1.717 -3.285 -12.821
125 H LEU 19 H LEU 19 -3.226 -4.047 -7.553
126 HA LEU 19 HA LEU 19 -4.881 -1.835 -8.170
127 HB2 LEU 19 1HB LEU 19 -5.636 -4.055 -8.591
128 HB3 LEU 19 2HB LEU 19 -5.383 -4.534 -6.925
129 HG LEU 19 HG LEU 19 -7.182 -2.901 -6.256
130 HD11 LEU 19 1HD1 LEU 19 -8.580 -2.759 -8.733
131 HD12 LEU 19 2HD1 LEU 19 -7.979 -1.432 -7.710
132 HD13 LEU 19 3HD1 LEU 19 -6.941 -2.113 -8.985
133 HD21 LEU 19 3HD2 LEU 19 -8.987 -4.423 -7.605
134 HD22 LEU 19 1HD2 LEU 19 -7.521 -5.423 -7.749
135 HD23 LEU 19 2HD2 LEU 19 -8.115 -4.941 -6.142
136 H ALA 20 H ALA 20 -4.067 -3.532 -5.062
137 HA ALA 20 HA ALA 20 -5.424 -1.622 -3.487
138 HB1 ALA 20 3HB ALA 20 -3.321 -2.980 -2.052
139 HB2 ALA 20 1HB ALA 20 -5.080 -3.240 -1.969
140 HB3 ALA 20 2HB ALA 20 -4.106 -4.125 -3.167
141 H TRP 21 H TRP 21 -2.116 -1.933 -4.796
142 HA TRP 21 HA TRP 21 -0.973 0.052 -3.143
143 HB2 TRP 21 1HB TRP 21 0.508 -1.469 -4.108
144 HB3 TRP 21 2HB TRP 21 -0.186 -1.296 -5.708
145 HD1 TRP 21 HD TRP 21 0.427 1.122 -7.007
146 HE1 TRP 21 1HE TRP 21 2.560 2.674 -6.935
147 HE3 TRP 21 3HE TRP 21 2.252 -0.701 -2.625
148 HZ2 TRP 21 2HZ TRP 21 4.723 2.959 -5.096
149 HZ3 TRP 21 3HZ TRP 21 4.380 0.269 -1.761
150 HH2 TRP 21 HH TRP 21 5.606 2.037 -2.921
151 H ASP 22 H ASP 22 -2.700 -0.013 -6.293
152 HA ASP 22 HA ASP 22 -2.100 2.590 -7.023
153 HB2 ASP 22 1HB ASP 22 -4.039 0.479 -7.787
154 HB3 ASP 22 2HB ASP 22 -4.643 2.100 -8.066
155 H THR 23 H THR 23 -4.050 1.273 -4.489
156 HA THR 23 HA THR 23 -5.939 3.471 -4.413
157 HB THR 23 HB THR 23 -5.613 0.759 -3.274
158 HG1 THR 23 1HG THR 23 -7.814 0.933 -3.764
159 HG21 THR 23 3HG2 THR 23 -5.466 1.727 -1.084
160 HG22 THR 23 1HG2 THR 23 -6.504 3.101 -1.536
161 HG23 THR 23 2HG2 THR 23 -7.212 1.482 -1.328
162 H CYS 24 H CYS 24 -3.662 2.097 -1.944
163 HA CYS 24 HA CYS 24 -3.657 4.531 -0.526
164 HB2 CYS 24 1HB CYS 24 -3.144 2.927 0.947
165 HB3 CYS 24 2HB CYS 24 -2.452 1.872 -0.269
166 H SER 25 H SER 25 -0.861 2.773 -2.065
167 HA SER 25 HA SER 25 0.533 5.228 -2.331
168 HB2 SER 25 1HB SER 25 1.966 3.393 -3.822
169 HB3 SER 25 2HB SER 25 2.167 3.668 -2.103
170 HG SER 25 HG SER 25 0.393 1.712 -3.299
171 H GLY 26 H GLY 26 -1.732 5.769 -3.672
172 HA2 GLY 26 1HA GLY 26 -0.995 5.474 -6.523
173 HA3 GLY 26 2HA GLY 26 -2.646 5.354 -5.947
174 H GLY 27 H GLY 27 -1.034 7.578 -3.958
175 HA2 GLY 27 1HA GLY 27 -0.546 9.865 -4.353
176 HA3 GLY 27 2HA GLY 27 -1.634 9.859 -5.727
177 H THR 28 H THR 28 -3.871 8.454 -4.569
178 HA THR 28 HA THR 28 -4.618 10.196 -2.325
179 HB THR 28 HB THR 28 -6.775 10.642 -3.462
180 HG1 THR 28 1HG THR 28 -6.925 8.685 -4.692
181 HG21 THR 28 3HG2 THR 28 -5.846 11.644 -5.711
182 HG22 THR 28 1HG2 THR 28 -5.238 12.326 -4.183
183 HG23 THR 28 2HG2 THR 28 -4.252 11.154 -5.090
184 H GLY 29 H GLY 29 -7.331 9.194 -2.241
185 HA2 GLY 29 1HA GLY 29 -8.528 7.323 -1.695
186 HA3 GLY 29 2HA GLY 29 -7.124 6.316 -1.984
187 H ASN 30 H ASN 30 -6.583 5.228 -0.145
188 HA ASN 30 HA ASN 30 -6.847 6.709 2.346
189 HB2 ASN 30 1HB ASN 30 -6.557 4.221 3.270
190 HB3 ASN 30 2HB ASN 30 -8.113 4.751 2.660
191 HD21 ASN 30 1HD2 ASN 30 -5.523 2.584 2.340
192 HD22 ASN 30 2HD2 ASN 30 -6.016 1.750 0.905
193 H CYS 31 H CYS 31 -4.596 7.278 0.727
194 HA CYS 31 HA CYS 31 -2.422 5.591 1.099
195 HB2 CYS 31 1HB CYS 31 -1.179 7.198 0.084
196 HB3 CYS 31 2HB CYS 31 -2.782 7.670 -0.444
197 H GLY 32 H GLY 32 -1.042 5.277 2.848
198 HA2 GLY 32 1HA GLY 32 -0.566 7.197 4.858
199 HA3 GLY 32 2HA GLY 32 -1.796 6.079 5.414
200 H THR 33 H THR 33 0.261 5.840 6.974
201 HA THR 33 HA THR 33 2.256 4.046 5.874
202 HB THR 33 HB THR 33 1.804 5.200 8.677
203 HG1 THR 33 1HG THR 33 3.632 6.564 7.766
204 HG21 THR 33 3HG2 THR 33 3.336 3.243 8.735
205 HG22 THR 33 1HG2 THR 33 4.237 3.895 7.345
206 HG23 THR 33 2HG2 THR 33 4.271 4.748 8.908
207 H VAL 34 H VAL 34 -0.911 3.724 6.957
208 HA VAL 34 HA VAL 34 -0.500 1.281 8.419
209 HB VAL 34 HB VAL 34 -2.940 2.765 7.435
210 HG11 VAL 34 1HG1 VAL 34 -2.852 0.310 9.221
211 HG12 VAL 34 2HG1 VAL 34 -4.300 1.227 8.742
212 HG13 VAL 34 3HG1 VAL 34 -3.373 0.327 7.519
213 HG21 VAL 34 3HG2 VAL 34 -2.688 3.984 9.284
214 HG22 VAL 34 1HG2 VAL 34 -2.832 2.507 10.268
215 HG23 VAL 34 2HG2 VAL 34 -1.231 3.058 9.718
216 H CYS 35 H CYS 35 -1.296 2.349 5.107
217 HA CYS 35 HA CYS 35 -2.231 -0.100 4.171
218 HB2 CYS 35 1HB CYS 35 -2.595 1.113 2.367
219 HB3 CYS 35 2HB CYS 35 -1.781 2.462 3.135
220 H CYS 36 H CYS 36 0.906 1.008 5.188
221 HA CYS 36 HA CYS 36 2.603 -0.361 3.528
222 HB2 CYS 36 1HB CYS 36 2.917 0.095 6.503
223 HB3 CYS 36 2HB CYS 36 4.202 -0.320 5.387
224 H GLY 37 H GLY 37 1.861 -1.477 6.905
225 HA2 GLY 37 1HA GLY 37 2.218 -4.237 6.069
226 HA3 GLY 37 2HA GLY 37 2.021 -3.624 7.699
227 H GLN 38 H GLN 38 -0.008 -3.209 4.713
228 HA GLN 38 HA GLN 38 -2.176 -4.419 6.246
229 HB2 GLN 38 1HB GLN 38 -2.060 -1.783 5.376
230 HB3 GLN 38 2HB GLN 38 -2.971 -2.549 4.090
231 HG2 GLN 38 1HG GLN 38 -4.540 -1.784 5.797
232 HG3 GLN 38 2HG GLN 38 -4.527 -3.537 5.801
233 HE21 GLN 38 1HE2 GLN 38 -5.420 -3.273 7.940
234 HE22 GLN 38 2HE2 GLN 38 -4.377 -3.049 9.305
235 H CYS 39 H CYS 39 -0.905 -3.683 2.928
236 HA CYS 39 HA CYS 39 -2.234 -6.141 2.044
237 HB2 CYS 39 1HB CYS 39 -1.516 -3.679 0.440
238 HB3 CYS 39 2HB CYS 39 -2.156 -5.164 -0.234
239 H PHE 40 H PHE 40 0.719 -4.122 2.168
240 HA PHE 40 HA PHE 40 2.204 -6.397 1.051
241 HB2 PHE 40 1HB PHE 40 3.238 -3.540 1.174
242 HB3 PHE 40 2HB PHE 40 3.611 -4.775 -0.012
243 HD1 PHE 40 1HD PHE 40 1.230 -2.178 0.966
244 HD2 PHE 40 2HD PHE 40 2.147 -5.154 -1.916
245 HE1 PHE 40 1HE PHE 40 -0.447 -1.171 -0.607
246 HE2 PHE 40 2HE PHE 40 0.471 -4.148 -3.489
247 HZ PHE 40 HZ PHE 40 -0.806 -2.168 -2.816
248 H SER 41 H SER 41 4.705 -6.081 1.769
249 HA SER 41 HA SER 41 4.753 -5.254 4.543
250 HB2 SER 41 1HB SER 41 6.252 -7.513 4.752
251 HB3 SER 41 2HB SER 41 4.545 -7.453 5.141
252 HG SER 41 HG SER 41 4.571 -7.866 2.528
253 H PHE 42 H PHE 42 7.058 -5.050 5.366
254 HA PHE 42 HA PHE 42 8.616 -3.619 3.610
255 HB2 PHE 42 1HB PHE 42 8.586 -4.539 6.330
256 HB3 PHE 42 2HB PHE 42 10.130 -5.070 5.695
257 HD1 PHE 42 1HD PHE 42 7.989 -2.039 5.989
258 HD2 PHE 42 2HD PHE 42 11.923 -3.587 5.615
259 HE1 PHE 42 1HE PHE 42 8.929 0.261 6.350
260 HE2 PHE 42 2HE PHE 42 12.862 -1.287 5.977
261 HZ PHE 42 HZ PHE 42 11.354 0.609 6.340
262 HA PRO 43 HA PRO 43 10.728 -3.241 3.632
263 HB2 PRO 43 1HB PRO 43 12.346 -2.615 1.521
264 HB3 PRO 43 2HB PRO 43 12.947 -3.293 3.021
265 HG2 PRO 43 1HG PRO 43 12.586 -4.616 0.402
266 HG3 PRO 43 2HG PRO 43 13.558 -5.130 1.767
267 HD2 PRO 43 1HD PRO 43 11.011 -6.189 0.978
268 HD3 PRO 43 2HD PRO 43 11.929 -6.621 2.407
269 H VAL 44 H VAL 44 8.698 -4.558 1.579
270 HA VAL 44 HA VAL 44 8.257 -2.403 -0.209
271 HB VAL 44 HB VAL 44 6.180 -4.423 0.563
272 HG11 VAL 44 1HG1 VAL 44 5.939 -4.415 -1.994
273 HG12 VAL 44 2HG1 VAL 44 5.435 -2.950 -1.119
274 HG13 VAL 44 3HG1 VAL 44 6.999 -2.986 -1.968
275 HG21 VAL 44 3HG2 VAL 44 7.670 -6.088 0.309
276 HG22 VAL 44 1HG2 VAL 44 7.601 -5.693 -1.426
277 HG23 VAL 44 2HG2 VAL 44 8.893 -5.011 -0.409
278 H SER 45 H SER 45 7.012 -3.367 3.015
279 HA SER 45 HA SER 45 4.849 -1.734 3.155
280 HB2 SER 45 1HB SER 45 4.912 -2.939 5.084
281 HB3 SER 45 2HB SER 45 6.658 -3.079 5.046
282 HG SER 45 HG SER 45 6.114 -1.854 6.875
283 H GLN 46 H GLN 46 8.204 -0.878 2.883
284 HA GLN 46 HA GLN 46 7.845 1.684 4.122
285 HB2 GLN 46 1HB GLN 46 10.013 0.971 4.521
286 HB3 GLN 46 2HB GLN 46 10.135 0.114 2.998
287 HG2 GLN 46 1HG GLN 46 10.456 2.185 1.758
288 HG3 GLN 46 2HG GLN 46 10.042 3.158 3.156
289 HE21 GLN 46 1HE2 GLN 46 12.501 1.814 1.360
290 HE22 GLN 46 2HE2 GLN 46 13.828 1.977 2.461
291 H SER 47 H SER 47 7.641 0.188 0.948
292 HA SER 47 HA SER 47 8.062 2.583 -0.493
293 HB2 SER 47 1HB SER 47 6.587 0.121 -1.497
294 HB3 SER 47 2HB SER 47 7.490 1.289 -2.441
295 HG SER 47 HG SER 47 8.459 -0.960 -1.675
296 H CYS 48 H CYS 48 5.258 0.784 0.837
297 HA CYS 48 HA CYS 48 3.222 2.014 -0.515
298 HB2 CYS 48 1HB CYS 48 2.482 0.285 0.762
299 HB3 CYS 48 2HB CYS 48 3.507 0.686 2.125
300 H ALA 49 H ALA 49 4.440 2.890 2.811
301 HA ALA 49 HA ALA 49 3.115 5.331 2.923
302 HB1 ALA 49 3HB ALA 49 5.176 3.852 4.418
303 HB2 ALA 49 1HB ALA 49 5.360 5.619 4.526
304 HB3 ALA 49 2HB ALA 49 3.830 4.853 5.014
305 H GLY 50 H GLY 50 5.827 4.310 1.028
306 HA2 GLY 50 1HA GLY 50 7.087 6.898 0.842
307 HA3 GLY 50 2HA GLY 50 7.464 5.450 -0.070
308 H MET 51 H MET 51 5.199 4.743 -1.407
309 HA MET 51 HA MET 51 4.959 6.935 -3.236
310 HB2 MET 51 1HB MET 51 5.321 4.500 -3.917
311 HB3 MET 51 2HB MET 51 3.727 4.124 -3.294
312 HG2 MET 51 1HG MET 51 2.851 4.701 -5.308
313 HG3 MET 51 2HG MET 51 3.334 6.359 -5.007
314 HE1 MET 51 3HE MET 51 3.859 5.526 -8.491
315 HE2 MET 51 1HE MET 51 4.252 3.817 -8.186
316 HE3 MET 51 2HE MET 51 2.856 4.568 -7.375
317 H ALA 52 H ALA 52 3.595 6.737 -0.412
318 HA ALA 52 HA ALA 52 0.801 6.813 -1.191
319 HB1 ALA 52 3HB ALA 52 1.243 5.640 0.836
320 HB2 ALA 52 1HB ALA 52 2.312 6.929 1.440
321 HB3 ALA 52 2HB ALA 52 0.557 7.206 1.333
322 H ASP 53 H ASP 53 2.912 8.826 -2.124
323 HA ASP 53 HA ASP 53 3.029 10.956 -2.508
324 HB2 ASP 53 1HB ASP 53 0.186 10.542 -1.855
325 HB3 ASP 53 2HB ASP 53 0.702 12.172 -1.469
326 H SER 54 H SER 54 3.543 13.037 -1.404
327 HA SER 54 HA SER 54 3.770 12.638 1.465
328 HB2 SER 54 1HB SER 54 5.507 13.766 -0.600
329 HB3 SER 54 2HB SER 54 5.271 14.918 0.699
330 HG SER 54 HG SER 54 7.046 13.101 0.796
331 H ASN 55 H ASN 55 3.883 15.720 -0.404
332 HA ASN 55 HA ASN 55 1.955 16.793 1.427
333 HB2 ASN 55 1HB ASN 55 4.186 17.858 0.205
334 HB3 ASN 55 2HB ASN 55 2.939 18.440 -0.880
335 HD21 ASN 55 1HD2 ASN 55 4.454 20.162 0.597
336 HD22 ASN 55 2HD2 ASN 55 3.499 20.949 1.809
337 H ASP 56 H ASP 56 2.029 15.213 -1.619
338 HA ASP 56 HA ASP 56 0.040 16.714 -2.928
339 HB2 ASP 56 1HB ASP 56 1.349 14.017 -3.310
340 HB3 ASP 56 2HB ASP 56 -0.113 14.363 -4.212
341 H CYS 57 H CYS 57 0.188 13.940 -0.679
342 HA CYS 57 HA CYS 57 -2.498 13.122 -1.116
343 HB2 CYS 57 1HB CYS 57 -0.207 12.184 0.332
344 HB3 CYS 57 2HB CYS 57 -1.579 12.241 1.421
345 HA PRO 58 HA PRO 58 -4.416 15.830 1.705
346 HB2 PRO 58 1HB PRO 58 -6.456 14.333 2.738
347 HB3 PRO 58 2HB PRO 58 -6.524 15.083 1.156
348 HG2 PRO 58 1HG PRO 58 -6.107 12.238 1.842
349 HG3 PRO 58 2HG PRO 58 -6.596 12.938 0.312
350 HD2 PRO 58 1HD PRO 58 -3.993 11.941 0.989
351 HD3 PRO 58 2HD PRO 58 -4.453 12.746 -0.498
352 H ASN 59 H ASN 59 -2.099 15.256 2.782
353 HA ASN 59 HA ASN 59 -2.637 14.111 5.361
354 HB2 ASN 59 1HB ASN 59 -0.050 15.307 4.234
355 HB3 ASN 59 2HB ASN 59 -0.177 14.350 5.697
356 HD21 ASN 59 1HD2 ASN 59 -1.199 12.172 5.443
357 HD22 ASN 59 2HD2 ASN 59 -0.771 11.225 4.057
358 H ALA 60 H ALA 60 -1.671 15.388 7.340
359 HA ALA 60 HA ALA 60 -2.919 17.880 7.507
360 HB1 ALA 60 3HB ALA 60 -2.306 17.763 9.718
361 HB2 ALA 60 1HB ALA 60 -2.021 16.062 9.279
362 HB3 ALA 60 2HB ALA 60 -0.657 17.204 9.345
Start of MODEL 10
1 H1 ASP 1 H ASP 1 7.734 -8.651 -7.890
2 HA ASP 1 HA ASP 1 9.399 -7.986 -6.555
3 HB2 ASP 1 1HB ASP 1 9.570 -5.831 -8.040
4 HB3 ASP 1 2HB ASP 1 8.560 -5.075 -6.824
5 H ILE 2 H ILE 2 6.372 -5.974 -6.542
6 HA ILE 2 HA ILE 2 6.256 -6.160 -3.643
7 HB ILE 2 HB ILE 2 4.893 -4.357 -3.684
8 HG12 ILE 2 1HG1 ILE 2 3.890 -5.170 -6.428
9 HG13 ILE 2 2HG1 ILE 2 3.065 -5.440 -4.906
10 HG21 ILE 2 1HG2 ILE 2 6.077 -3.915 -6.424
11 HG22 ILE 2 2HG2 ILE 2 5.767 -2.730 -5.132
12 HG23 ILE 2 3HG2 ILE 2 7.072 -3.926 -4.949
13 HD11 ILE 2 3HD1 ILE 2 2.107 -3.403 -5.133
14 HD12 ILE 2 1HD1 ILE 2 3.717 -2.674 -4.918
15 HD13 ILE 2 2HD1 ILE 2 3.118 -3.044 -6.553
16 H GLU 3 H GLU 3 4.692 -7.378 -6.613
17 HA GLU 3 HA GLU 3 2.410 -8.379 -5.473
18 HB2 GLU 3 1HB GLU 3 2.371 -9.934 -7.432
19 HB3 GLU 3 2HB GLU 3 2.715 -8.278 -7.889
20 HG2 GLU 3 1HG GLU 3 4.583 -9.032 -8.932
21 HG3 GLU 3 2HG GLU 3 5.259 -9.372 -7.351
22 H ASP 4 H ASP 4 5.758 -9.548 -5.375
23 HA ASP 4 HA ASP 4 5.092 -12.162 -4.584
24 HB2 ASP 4 1HB ASP 4 7.650 -10.538 -4.187
25 HB3 ASP 4 2HB ASP 4 7.523 -12.265 -3.916
26 H PHE 5 H PHE 5 4.696 -9.169 -3.083
27 HA PHE 5 HA PHE 5 4.929 -10.385 -0.423
28 HB2 PHE 5 1HB PHE 5 5.816 -7.741 -1.617
29 HB3 PHE 5 2HB PHE 5 5.208 -7.689 0.026
30 HD1 PHE 5 1HD PHE 5 6.418 -8.804 1.836
31 HD2 PHE 5 2HD PHE 5 7.922 -8.814 -2.132
32 HE1 PHE 5 1HE PHE 5 8.668 -9.518 2.691
33 HE2 PHE 5 2HE PHE 5 10.172 -9.528 -1.277
34 HZ PHE 5 HZ PHE 5 10.518 -9.871 1.124
35 H TYR 6 H TYR 6 2.694 -9.919 -2.569
36 HA TYR 6 HA TYR 6 0.974 -8.004 -1.309
37 HB2 TYR 6 1HB TYR 6 1.149 -8.741 -3.802
38 HB3 TYR 6 2HB TYR 6 0.447 -10.274 -3.324
39 HD1 TYR 6 2HD TYR 6 -0.609 -7.022 -1.894
40 HD2 TYR 6 1HD TYR 6 -1.517 -10.123 -4.699
41 HE1 TYR 6 2HE TYR 6 -2.941 -6.060 -2.215
42 HE2 TYR 6 1HE TYR 6 -3.845 -9.150 -5.010
43 HH TYR 6 HH TYR 6 -5.277 -7.670 -4.352
44 H THR 7 H THR 7 -0.493 -8.336 0.298
45 HA THR 7 HA THR 7 -1.054 -11.143 1.001
46 HB THR 7 HB THR 7 -0.930 -10.499 3.304
47 HG1 THR 7 1HG THR 7 -1.218 -7.884 2.035
48 HG21 THR 7 3HG2 THR 7 1.336 -10.216 1.951
49 HG22 THR 7 1HG2 THR 7 1.043 -8.477 2.186
50 HG23 THR 7 2HG2 THR 7 1.224 -9.547 3.596
51 H SER 8 H SER 8 -2.900 -11.388 -0.266
52 HA SER 8 HA SER 8 -4.905 -9.423 -0.264
53 HB2 SER 8 1HB SER 8 -4.326 -11.782 -1.694
54 HB3 SER 8 2HB SER 8 -5.841 -12.136 -0.887
55 HG SER 8 HG SER 8 -6.501 -9.894 -1.751
56 H GLU 9 H GLU 9 -3.838 -11.492 2.164
57 HA GLU 9 HA GLU 9 -6.316 -12.382 3.156
58 HB2 GLU 9 1HB GLU 9 -3.640 -12.937 3.665
59 HB3 GLU 9 2HB GLU 9 -4.118 -12.082 5.118
60 HG2 GLU 9 1HG GLU 9 -6.274 -13.717 4.887
61 HG3 GLU 9 2HG GLU 9 -5.101 -14.715 4.050
62 H THR 10 H THR 10 -4.141 -9.587 3.852
63 HA THR 10 HA THR 10 -6.194 -8.530 5.667
64 HB THR 10 HB THR 10 -4.048 -8.642 6.741
65 HG1 THR 10 1HG THR 10 -3.763 -6.371 6.996
66 HG21 THR 10 3HG2 THR 10 -3.042 -7.890 4.009
67 HG22 THR 10 1HG2 THR 10 -2.179 -7.181 5.395
68 HG23 THR 10 2HG2 THR 10 -2.301 -8.950 5.232
69 H CYS 11 H CYS 11 -4.613 -8.077 2.545
70 HA CYS 11 HA CYS 11 -5.264 -5.382 2.217
71 HB2 CYS 11 1HB CYS 11 -3.651 -6.820 0.867
72 HB3 CYS 11 2HB CYS 11 -5.052 -7.419 0.001
73 HA PRO 12 HA PRO 12 -9.564 -5.820 1.577
74 HB2 PRO 12 1HB PRO 12 -10.136 -3.317 0.641
75 HB3 PRO 12 2HB PRO 12 -9.966 -3.687 2.346
76 HG2 PRO 12 1HG PRO 12 -8.079 -2.280 0.558
77 HG3 PRO 12 2HG PRO 12 -8.133 -2.288 2.309
78 HD2 PRO 12 1HD PRO 12 -6.306 -3.741 0.642
79 HD3 PRO 12 2HD PRO 12 -6.436 -3.837 2.387
80 H TYR 13 H TYR 13 -7.306 -5.638 -0.812
81 HA TYR 13 HA TYR 13 -9.402 -6.149 -2.815
82 HB2 TYR 13 1HB TYR 13 -6.560 -5.056 -3.233
83 HB3 TYR 13 2HB TYR 13 -7.873 -5.016 -4.393
84 HD1 TYR 13 2HD TYR 13 -9.899 -3.523 -3.876
85 HD2 TYR 13 1HD TYR 13 -6.197 -3.252 -1.750
86 HE1 TYR 13 2HE TYR 13 -10.517 -1.187 -3.085
87 HE2 TYR 13 1HE TYR 13 -6.827 -0.917 -0.966
88 HH TYR 13 HH TYR 13 -9.591 0.225 -0.751
89 H LYS 14 H LYS 14 -8.972 -7.803 -4.372
90 HA LYS 14 HA LYS 14 -6.560 -9.374 -3.910
91 HB2 LYS 14 1HB LYS 14 -7.683 -11.401 -3.527
92 HB3 LYS 14 2HB LYS 14 -8.465 -10.245 -2.467
93 HG2 LYS 14 1HG LYS 14 -9.508 -11.064 -5.220
94 HG3 LYS 14 2HG LYS 14 -10.103 -11.697 -3.699
95 HD2 LYS 14 1HD LYS 14 -11.570 -9.967 -3.645
96 HD3 LYS 14 2HD LYS 14 -10.209 -8.905 -3.342
97 HE2 LYS 14 1HE LYS 14 -11.414 -8.049 -5.279
98 HE3 LYS 14 2HE LYS 14 -9.874 -8.675 -5.835
99 HZ1 LYS 14 3HZ LYS 14 -10.919 -10.614 -6.608
100 HZ2 LYS 14 1HZ LYS 14 -12.332 -10.276 -5.862
101 HZ3 LYS 14 2HZ LYS 14 -11.844 -9.375 -7.134
102 H ASN 15 H ASN 15 -7.508 -7.445 -5.975
103 HA ASN 15 HA ASN 15 -8.079 -9.230 -8.172
104 HB2 ASN 15 1HB ASN 15 -8.972 -6.676 -7.578
105 HB3 ASN 15 2HB ASN 15 -7.664 -6.310 -8.686
106 HD21 ASN 15 1HD2 ASN 15 -7.640 -7.329 -10.773
107 HD22 ASN 15 2HD2 ASN 15 -9.120 -7.765 -11.562
108 H ASP 16 H ASP 16 -5.677 -6.817 -6.951
109 HA ASP 16 HA ASP 16 -3.595 -8.166 -8.296
110 HB2 ASP 16 1HB ASP 16 -4.843 -5.823 -9.556
111 HB3 ASP 16 2HB ASP 16 -3.150 -5.523 -9.215
112 H SER 17 H SER 17 -1.463 -7.296 -7.550
113 HA SER 17 HA SER 17 -1.661 -6.197 -4.973
114 HB2 SER 17 1HB SER 17 0.972 -6.047 -5.399
115 HB3 SER 17 2HB SER 17 0.180 -7.586 -5.124
116 HG SER 17 HG SER 17 0.438 -8.162 -7.214
117 H GLN 18 H GLN 18 -0.920 -4.944 -8.240
118 HA GLN 18 HA GLN 18 0.100 -2.490 -7.329
119 HB2 GLN 18 1HB GLN 18 -0.765 -3.649 -9.962
120 HB3 GLN 18 2HB GLN 18 -0.649 -1.904 -9.858
121 HG2 GLN 18 1HG GLN 18 1.652 -1.924 -9.622
122 HG3 GLN 18 2HG GLN 18 1.654 -3.401 -8.679
123 HE21 GLN 18 1HE2 GLN 18 1.525 -5.414 -9.701
124 HE22 GLN 18 2HE2 GLN 18 1.945 -5.641 -11.366
125 H LEU 19 H LEU 19 -3.128 -3.810 -7.856
126 HA LEU 19 HA LEU 19 -4.503 -1.400 -8.222
127 HB2 LEU 19 1HB LEU 19 -5.635 -3.322 -8.828
128 HB3 LEU 19 2HB LEU 19 -5.220 -4.172 -7.353
129 HG LEU 19 HG LEU 19 -7.645 -3.459 -7.654
130 HD11 LEU 19 1HD1 LEU 19 -7.985 -3.288 -5.359
131 HD12 LEU 19 2HD1 LEU 19 -6.408 -4.105 -5.480
132 HD13 LEU 19 3HD1 LEU 19 -6.483 -2.367 -5.101
133 HD21 LEU 19 3HD2 LEU 19 -7.191 -0.815 -6.512
134 HD22 LEU 19 1HD2 LEU 19 -6.535 -0.971 -8.159
135 HD23 LEU 19 2HD2 LEU 19 -8.251 -1.325 -7.848
136 H ALA 20 H ALA 20 -4.005 -3.404 -5.229
137 HA ALA 20 HA ALA 20 -5.181 -1.555 -3.509
138 HB1 ALA 20 3HB ALA 20 -4.079 -2.865 -1.754
139 HB2 ALA 20 1HB ALA 20 -4.730 -3.949 -3.007
140 HB3 ALA 20 2HB ALA 20 -2.987 -3.593 -2.956
141 H TRP 21 H TRP 21 -1.904 -1.820 -4.905
142 HA TRP 21 HA TRP 21 -0.723 0.058 -3.141
143 HB2 TRP 21 1HB TRP 21 0.743 -1.435 -4.165
144 HB3 TRP 21 2HB TRP 21 0.048 -1.198 -5.756
145 HD1 TRP 21 HD TRP 21 0.691 1.252 -6.974
146 HE1 TRP 21 1HE TRP 21 2.840 2.778 -6.850
147 HE3 TRP 21 3HE TRP 21 2.492 -0.732 -2.652
148 HZ2 TRP 21 2HZ TRP 21 5.004 2.980 -5.000
149 HZ3 TRP 21 3HZ TRP 21 4.628 0.187 -1.755
150 HH2 TRP 21 HH TRP 21 5.874 1.979 -2.855
151 H ASP 22 H ASP 22 -2.374 0.157 -6.341
152 HA ASP 22 HA ASP 22 -1.756 2.793 -6.911
153 HB2 ASP 22 1HB ASP 22 -3.591 0.705 -7.881
154 HB3 ASP 22 2HB ASP 22 -4.317 2.296 -8.001
155 H THR 23 H THR 23 -3.739 1.371 -4.477
156 HA THR 23 HA THR 23 -5.668 3.528 -4.354
157 HB THR 23 HB THR 23 -5.302 0.794 -3.303
158 HG1 THR 23 1HG THR 23 -7.464 2.769 -3.532
159 HG21 THR 23 3HG2 THR 23 -5.171 1.614 -1.074
160 HG22 THR 23 1HG2 THR 23 -6.130 3.064 -1.457
161 HG23 THR 23 2HG2 THR 23 -6.927 1.478 -1.329
162 H CYS 24 H CYS 24 -3.417 2.142 -1.871
163 HA CYS 24 HA CYS 24 -3.461 4.559 -0.423
164 HB2 CYS 24 1HB CYS 24 -2.950 2.975 1.061
165 HB3 CYS 24 2HB CYS 24 -2.291 1.899 -0.154
166 H SER 25 H SER 25 -0.638 2.832 -1.948
167 HA SER 25 HA SER 25 0.771 5.285 -2.128
168 HB2 SER 25 1HB SER 25 2.173 3.443 -3.680
169 HB3 SER 25 2HB SER 25 2.423 3.744 -1.972
170 HG SER 25 HG SER 25 0.710 1.733 -3.155
171 H GLY 26 H GLY 26 -1.487 5.863 -3.479
172 HA2 GLY 26 1HA GLY 26 -0.701 5.679 -6.326
173 HA3 GLY 26 2HA GLY 26 -2.360 5.513 -5.786
174 H GLY 27 H GLY 27 -0.979 7.667 -3.627
175 HA2 GLY 27 1HA GLY 27 -0.534 9.971 -3.806
176 HA3 GLY 27 2HA GLY 27 -1.378 10.024 -5.341
177 H THR 28 H THR 28 -3.781 8.657 -4.765
178 HA THR 28 HA THR 28 -4.924 10.307 -2.608
179 HB THR 28 HB THR 28 -6.915 10.564 -4.091
180 HG1 THR 28 1HG THR 28 -6.738 9.571 -6.197
181 HG21 THR 28 3HG2 THR 28 -5.558 11.553 -6.203
182 HG22 THR 28 1HG2 THR 28 -5.566 12.403 -4.639
183 HG23 THR 28 2HG2 THR 28 -4.182 11.377 -5.088
184 H GLY 29 H GLY 29 -7.463 9.296 -2.503
185 HA2 GLY 29 1HA GLY 29 -8.693 7.369 -2.149
186 HA3 GLY 29 2HA GLY 29 -7.249 6.389 -2.319
187 H ASN 30 H ASN 30 -6.159 5.703 -0.494
188 HA ASN 30 HA ASN 30 -6.711 7.144 1.958
189 HB2 ASN 30 1HB ASN 30 -6.775 4.689 3.017
190 HB3 ASN 30 2HB ASN 30 -8.234 5.399 2.353
191 HD21 ASN 30 1HD2 ASN 30 -5.916 2.910 2.145
192 HD22 ASN 30 2HD2 ASN 30 -6.524 2.069 0.759
193 H CYS 31 H CYS 31 -4.366 7.502 0.613
194 HA CYS 31 HA CYS 31 -2.433 5.511 1.011
195 HB2 CYS 31 1HB CYS 31 -0.939 6.963 0.076
196 HB3 CYS 31 2HB CYS 31 -2.452 7.562 -0.577
197 H GLY 32 H GLY 32 -0.881 5.269 2.702
198 HA2 GLY 32 1HA GLY 32 -0.471 7.115 4.774
199 HA3 GLY 32 2HA GLY 32 -1.704 5.981 5.290
200 H THR 33 H THR 33 0.377 5.753 6.853
201 HA THR 33 HA THR 33 2.356 3.952 5.734
202 HB THR 33 HB THR 33 1.962 5.029 8.575
203 HG1 THR 33 1HG THR 33 3.288 6.734 7.750
204 HG21 THR 33 3HG2 THR 33 3.611 3.196 8.508
205 HG22 THR 33 1HG2 THR 33 4.367 3.893 7.055
206 HG23 THR 33 2HG2 THR 33 4.484 4.744 8.614
207 H VAL 34 H VAL 34 -0.801 3.642 6.842
208 HA VAL 34 HA VAL 34 -0.404 1.220 8.330
209 HB VAL 34 HB VAL 34 -2.828 2.682 7.279
210 HG11 VAL 34 1HG1 VAL 34 -3.448 0.367 7.327
211 HG12 VAL 34 2HG1 VAL 34 -2.671 0.130 8.911
212 HG13 VAL 34 3HG1 VAL 34 -4.134 1.135 8.779
213 HG21 VAL 34 3HG2 VAL 34 -3.190 3.347 9.555
214 HG22 VAL 34 1HG2 VAL 34 -1.885 2.284 10.135
215 HG23 VAL 34 2HG2 VAL 34 -1.496 3.715 9.149
216 H CYS 35 H CYS 35 -1.189 2.219 4.988
217 HA CYS 35 HA CYS 35 -2.064 -0.266 4.092
218 HB2 CYS 35 1HB CYS 35 -2.415 0.871 2.233
219 HB3 CYS 35 2HB CYS 35 -1.719 2.275 3.017
220 H CYS 36 H CYS 36 1.004 0.848 5.207
221 HA CYS 36 HA CYS 36 2.779 -0.449 3.560
222 HB2 CYS 36 1HB CYS 36 2.974 -0.012 6.548
223 HB3 CYS 36 2HB CYS 36 4.308 -0.445 5.497
224 H GLY 37 H GLY 37 1.645 -1.617 6.824
225 HA2 GLY 37 1HA GLY 37 2.138 -4.373 5.943
226 HA3 GLY 37 2HA GLY 37 1.954 -3.805 7.591
227 H GLN 38 H GLN 38 -0.097 -3.213 4.655
228 HA GLN 38 HA GLN 38 -2.259 -4.501 6.132
229 HB2 GLN 38 1HB GLN 38 -2.388 -1.943 5.894
230 HB3 GLN 38 2HB GLN 38 -2.609 -2.196 4.174
231 HG2 GLN 38 1HG GLN 38 -4.823 -2.046 5.057
232 HG3 GLN 38 2HG GLN 38 -4.570 -3.757 4.775
233 HE21 GLN 38 1HE2 GLN 38 -6.475 -2.738 6.521
234 HE22 GLN 38 2HE2 GLN 38 -6.092 -3.190 8.149
235 H CYS 39 H CYS 39 -0.665 -3.841 2.995
236 HA CYS 39 HA CYS 39 -2.189 -6.091 1.901
237 HB2 CYS 39 1HB CYS 39 -1.328 -3.578 0.454
238 HB3 CYS 39 2HB CYS 39 -1.985 -5.004 -0.326
239 H PHE 40 H PHE 40 0.834 -4.144 2.056
240 HA PHE 40 HA PHE 40 2.258 -6.465 0.956
241 HB2 PHE 40 1HB PHE 40 3.389 -3.649 1.133
242 HB3 PHE 40 2HB PHE 40 3.726 -4.876 -0.072
243 HD1 PHE 40 1HD PHE 40 1.343 -2.283 0.976
244 HD2 PHE 40 2HD PHE 40 2.353 -5.098 -2.034
245 HE1 PHE 40 1HE PHE 40 -0.283 -1.190 -0.592
246 HE2 PHE 40 2HE PHE 40 0.727 -4.005 -3.602
247 HZ PHE 40 HZ PHE 40 -0.572 -2.064 -2.862
248 H SER 41 H SER 41 4.767 -6.220 1.702
249 HA SER 41 HA SER 41 4.793 -5.465 4.499
250 HB2 SER 41 1HB SER 41 4.778 -7.613 5.192
251 HB3 SER 41 2HB SER 41 4.738 -8.186 3.536
252 HG SER 41 HG SER 41 6.652 -8.781 5.004
253 H PHE 42 H PHE 42 7.080 -5.284 5.353
254 HA PHE 42 HA PHE 42 8.678 -3.835 3.648
255 HB2 PHE 42 1HB PHE 42 8.592 -4.791 6.352
256 HB3 PHE 42 2HB PHE 42 10.140 -5.336 5.738
257 HD1 PHE 42 2HD PHE 42 8.037 -2.270 5.983
258 HD2 PHE 42 1HD PHE 42 11.954 -3.887 5.761
259 HE1 PHE 42 2HE PHE 42 9.001 0.011 6.393
260 HE2 PHE 42 1HE PHE 42 12.919 -1.606 6.171
261 HZ PHE 42 HZ PHE 42 11.431 0.316 6.482
262 HA PRO 43 HA PRO 43 10.792 -3.474 3.713
263 HB2 PRO 43 1HB PRO 43 12.451 -2.825 1.641
264 HB3 PRO 43 2HB PRO 43 13.021 -3.532 3.140
265 HG2 PRO 43 1HG PRO 43 12.696 -4.809 0.494
266 HG3 PRO 43 2HG PRO 43 13.640 -5.353 1.866
267 HD2 PRO 43 1HD PRO 43 11.100 -6.379 1.016
268 HD3 PRO 43 2HD PRO 43 11.990 -6.842 2.453
269 H VAL 44 H VAL 44 8.774 -4.736 1.626
270 HA VAL 44 HA VAL 44 8.384 -2.555 -0.145
271 HB VAL 44 HB VAL 44 6.278 -4.564 0.574
272 HG11 VAL 44 1HG1 VAL 44 5.603 -3.012 -1.092
273 HG12 VAL 44 2HG1 VAL 44 7.152 -3.150 -1.957
274 HG13 VAL 44 3HG1 VAL 44 6.010 -4.514 -1.955
275 HG21 VAL 44 3HG2 VAL 44 8.995 -5.181 -0.310
276 HG22 VAL 44 1HG2 VAL 44 7.706 -6.263 0.269
277 HG23 VAL 44 2HG2 VAL 44 7.757 -5.777 -1.442
278 H SER 45 H SER 45 7.076 -3.550 3.046
279 HA SER 45 HA SER 45 4.936 -1.885 3.172
280 HB2 SER 45 1HB SER 45 4.933 -3.114 5.083
281 HB3 SER 45 2HB SER 45 6.674 -3.306 5.067
282 HG SER 45 HG SER 45 5.967 -2.096 6.927
283 H GLN 46 H GLN 46 8.306 -1.081 2.971
284 HA GLN 46 HA GLN 46 7.959 1.469 4.247
285 HB2 GLN 46 1HB GLN 46 10.106 -0.185 4.065
286 HB3 GLN 46 2HB GLN 46 10.436 0.838 2.681
287 HG2 GLN 46 1HG GLN 46 9.928 2.829 4.351
288 HG3 GLN 46 2HG GLN 46 10.202 1.631 5.600
289 HE21 GLN 46 1HE2 GLN 46 11.608 2.866 2.576
290 HE22 GLN 46 2HE2 GLN 46 13.272 2.768 3.047
291 H SER 47 H SER 47 7.813 0.017 1.052
292 HA SER 47 HA SER 47 8.330 2.414 -0.350
293 HB2 SER 47 1HB SER 47 6.819 -0.004 -1.409
294 HB3 SER 47 2HB SER 47 7.758 1.156 -2.327
295 HG SER 47 HG SER 47 9.293 -0.027 -0.343
296 H CYS 48 H CYS 48 5.445 0.678 0.886
297 HA CYS 48 HA CYS 48 3.476 1.972 -0.499
298 HB2 CYS 48 1HB CYS 48 2.691 0.240 0.763
299 HB3 CYS 48 2HB CYS 48 3.657 0.657 2.164
300 H ALA 49 H ALA 49 4.546 2.792 2.890
301 HA ALA 49 HA ALA 49 3.315 5.263 2.977
302 HB1 ALA 49 3HB ALA 49 3.988 4.773 5.078
303 HB2 ALA 49 1HB ALA 49 5.311 3.732 4.500
304 HB3 ALA 49 2HB ALA 49 5.548 5.493 4.613
305 H GLY 50 H GLY 50 6.101 4.198 1.183
306 HA2 GLY 50 1HA GLY 50 7.394 6.759 1.016
307 HA3 GLY 50 2HA GLY 50 7.751 5.312 0.094
308 H MET 51 H MET 51 5.450 4.683 -1.259
309 HA MET 51 HA MET 51 5.317 6.886 -3.088
310 HB2 MET 51 1HB MET 51 5.583 4.420 -3.747
311 HB3 MET 51 2HB MET 51 3.950 4.139 -3.176
312 HG2 MET 51 1HG MET 51 3.230 4.708 -5.258
313 HG3 MET 51 2HG MET 51 3.666 6.362 -4.877
314 HE1 MET 51 3HE MET 51 3.355 4.646 -7.323
315 HE2 MET 51 1HE MET 51 4.510 5.442 -8.417
316 HE3 MET 51 2HE MET 51 4.776 3.755 -7.918
317 H ALA 52 H ALA 52 3.937 6.786 -0.286
318 HA ALA 52 HA ALA 52 1.146 6.929 -1.063
319 HB1 ALA 52 3HB ALA 52 0.699 6.713 1.191
320 HB2 ALA 52 1HB ALA 52 2.304 5.944 1.137
321 HB3 ALA 52 2HB ALA 52 2.143 7.632 1.678
322 H ASP 53 H ASP 53 3.374 8.857 -1.999
323 HA ASP 53 HA ASP 53 3.683 10.987 -2.296
324 HB2 ASP 53 1HB ASP 53 1.801 12.222 -2.944
325 HB3 ASP 53 2HB ASP 53 1.187 10.583 -3.038
326 H SER 54 H SER 54 2.960 13.385 -1.230
327 HA SER 54 HA SER 54 3.137 12.957 1.651
328 HB2 SER 54 1HB SER 54 4.860 14.444 -0.175
329 HB3 SER 54 2HB SER 54 4.197 15.522 1.038
330 HG SER 54 HG SER 54 4.875 13.553 2.537
331 H ASN 55 H ASN 55 2.766 15.955 -0.345
332 HA ASN 55 HA ASN 55 0.447 16.584 1.242
333 HB2 ASN 55 1HB ASN 55 2.539 18.125 0.295
334 HB3 ASN 55 2HB ASN 55 1.333 18.444 -0.935
335 HD21 ASN 55 1HD2 ASN 55 -0.345 19.738 -0.528
336 HD22 ASN 55 2HD2 ASN 55 -0.681 20.514 0.984
337 H ASP 56 H ASP 56 1.172 14.928 -1.608
338 HA ASP 56 HA ASP 56 -0.748 16.027 -3.338
339 HB2 ASP 56 1HB ASP 56 0.130 13.139 -3.502
340 HB3 ASP 56 2HB ASP 56 -0.151 14.274 -4.807
341 H CYS 57 H CYS 57 -0.840 13.973 -0.538
342 HA CYS 57 HA CYS 57 -3.204 12.544 -1.338
343 HB2 CYS 57 1HB CYS 57 -1.149 12.100 0.496
344 HB3 CYS 57 2HB CYS 57 -2.551 12.434 1.494
345 HA PRO 58 HA PRO 58 -5.939 15.479 0.361
346 HB2 PRO 58 1HB PRO 58 -8.124 13.941 0.933
347 HB3 PRO 58 2HB PRO 58 -7.753 14.516 -0.680
348 HG2 PRO 58 1HG PRO 58 -7.431 11.798 0.439
349 HG3 PRO 58 2HG PRO 58 -7.475 12.296 -1.241
350 HD2 PRO 58 1HD PRO 58 -5.148 11.582 0.277
351 HD3 PRO 58 2HD PRO 58 -5.182 12.190 -1.366
352 H ASN 59 H ASN 59 -4.043 15.263 2.123
353 HA ASN 59 HA ASN 59 -5.380 14.460 4.567
354 HB2 ASN 59 1HB ASN 59 -2.471 15.024 3.838
355 HB3 ASN 59 2HB ASN 59 -2.971 14.906 5.513
356 HD21 ASN 59 1HD2 ASN 59 -1.134 13.212 4.204
357 HD22 ASN 59 2HD2 ASN 59 -1.757 11.596 4.191
358 H ALA 60 H ALA 60 -4.299 16.048 6.506
359 HA ALA 60 HA ALA 60 -5.523 18.553 6.070
360 HB1 ALA 60 3HB ALA 60 -4.172 18.955 8.336
361 HB2 ALA 60 1HB ALA 60 -5.602 17.896 8.284
362 HB3 ALA 60 2HB ALA 60 -3.969 17.189 8.247
Start of MODEL 11
1 H1 ASP 1 H ASP 1 9.757 -5.373 -7.405
2 HA ASP 1 HA ASP 1 8.027 -6.758 -7.397
3 HB2 ASP 1 1HB ASP 1 10.414 -7.913 -6.429
4 HB3 ASP 1 2HB ASP 1 9.180 -8.544 -5.356
5 H ILE 2 H ILE 2 6.192 -5.800 -6.366
6 HA ILE 2 HA ILE 2 6.061 -5.996 -3.457
7 HB ILE 2 HB ILE 2 4.659 -4.227 -3.475
8 HG12 ILE 2 1HG1 ILE 2 3.649 -5.225 -6.141
9 HG13 ILE 2 2HG1 ILE 2 2.795 -5.141 -4.613
10 HG21 ILE 2 1HG2 ILE 2 5.470 -2.545 -4.917
11 HG22 ILE 2 2HG2 ILE 2 6.822 -3.679 -4.689
12 HG23 ILE 2 3HG2 ILE 2 5.873 -3.717 -6.194
13 HD11 ILE 2 3HD1 ILE 2 3.726 -2.770 -6.294
14 HD12 ILE 2 1HD1 ILE 2 2.047 -3.302 -6.038
15 HD13 ILE 2 2HD1 ILE 2 2.982 -2.626 -4.683
16 H GLU 3 H GLU 3 4.582 -7.164 -6.492
17 HA GLU 3 HA GLU 3 2.306 -8.257 -5.460
18 HB2 GLU 3 1HB GLU 3 2.442 -9.838 -7.423
19 HB3 GLU 3 2HB GLU 3 2.661 -8.152 -7.848
20 HG2 GLU 3 1HG GLU 3 5.095 -8.425 -7.955
21 HG3 GLU 3 2HG GLU 3 4.990 -10.052 -7.313
22 H ASP 4 H ASP 4 5.673 -9.319 -5.188
23 HA ASP 4 HA ASP 4 5.048 -11.964 -4.457
24 HB2 ASP 4 1HB ASP 4 7.399 -10.324 -4.864
25 HB3 ASP 4 2HB ASP 4 7.556 -11.119 -3.310
26 H PHE 5 H PHE 5 4.699 -8.912 -2.934
27 HA PHE 5 HA PHE 5 4.729 -10.180 -0.285
28 HB2 PHE 5 1HB PHE 5 5.645 -7.498 -1.393
29 HB3 PHE 5 2HB PHE 5 5.029 -7.524 0.248
30 HD1 PHE 5 2HD PHE 5 7.725 -8.660 -1.960
31 HD2 PHE 5 1HD PHE 5 6.272 -8.590 2.027
32 HE1 PHE 5 2HE PHE 5 9.974 -9.400 -1.127
33 HE2 PHE 5 1HE PHE 5 8.521 -9.330 2.860
34 HZ PHE 5 HZ PHE 5 10.345 -9.726 1.273
35 H TYR 6 H TYR 6 2.607 -9.666 -2.538
36 HA TYR 6 HA TYR 6 0.842 -7.752 -1.347
37 HB2 TYR 6 1HB TYR 6 1.044 -8.345 -3.819
38 HB3 TYR 6 2HB TYR 6 0.542 -9.984 -3.453
39 HD1 TYR 6 1HD TYR 6 -1.245 -7.712 -1.395
40 HD2 TYR 6 2HD TYR 6 -1.122 -9.294 -5.368
41 HE1 TYR 6 1HE TYR 6 -3.674 -7.047 -1.743
42 HE2 TYR 6 2HE TYR 6 -3.551 -8.623 -5.702
43 HH TYR 6 HH TYR 6 -5.194 -7.356 -4.893
44 H THR 7 H THR 7 -0.341 -8.129 0.456
45 HA THR 7 HA THR 7 -1.005 -10.916 1.082
46 HB THR 7 HB THR 7 -1.309 -10.025 3.372
47 HG1 THR 7 1HG THR 7 -2.153 -7.928 2.421
48 HG21 THR 7 3HG2 THR 7 0.929 -9.630 3.849
49 HG22 THR 7 1HG2 THR 7 1.149 -10.150 2.161
50 HG23 THR 7 2HG2 THR 7 1.087 -8.416 2.557
51 H SER 8 H SER 8 -2.673 -11.165 -0.501
52 HA SER 8 HA SER 8 -4.814 -9.374 -0.597
53 HB2 SER 8 1HB SER 8 -3.969 -11.351 -2.216
54 HB3 SER 8 2HB SER 8 -5.181 -12.267 -1.344
55 HG SER 8 HG SER 8 -6.107 -9.755 -2.142
56 H GLU 9 H GLU 9 -3.828 -11.504 1.837
57 HA GLU 9 HA GLU 9 -6.341 -12.533 2.582
58 HB2 GLU 9 1HB GLU 9 -3.660 -12.961 3.303
59 HB3 GLU 9 2HB GLU 9 -4.377 -12.300 4.759
60 HG2 GLU 9 1HG GLU 9 -6.084 -14.326 3.419
61 HG3 GLU 9 2HG GLU 9 -4.539 -14.959 3.952
62 H THR 10 H THR 10 -4.228 -9.879 3.890
63 HA THR 10 HA THR 10 -6.464 -8.944 5.509
64 HB THR 10 HB THR 10 -4.386 -9.011 6.696
65 HG1 THR 10 1HG THR 10 -5.467 -6.920 6.825
66 HG21 THR 10 3HG2 THR 10 -2.439 -7.538 5.599
67 HG22 THR 10 1HG2 THR 10 -2.610 -9.255 5.163
68 HG23 THR 10 2HG2 THR 10 -3.246 -7.994 4.080
69 H CYS 11 H CYS 11 -4.763 -8.226 2.502
70 HA CYS 11 HA CYS 11 -5.516 -5.547 2.305
71 HB2 CYS 11 1HB CYS 11 -3.782 -6.796 0.946
72 HB3 CYS 11 2HB CYS 11 -5.102 -7.459 0.004
73 HA PRO 12 HA PRO 12 -9.766 -6.124 1.463
74 HB2 PRO 12 1HB PRO 12 -10.415 -3.582 0.698
75 HB3 PRO 12 2HB PRO 12 -10.296 -4.077 2.375
76 HG2 PRO 12 1HG PRO 12 -8.406 -2.455 0.784
77 HG3 PRO 12 2HG PRO 12 -8.529 -2.603 2.526
78 HD2 PRO 12 1HD PRO 12 -6.572 -3.840 0.833
79 HD3 PRO 12 2HD PRO 12 -6.767 -4.080 2.558
80 H TYR 13 H TYR 13 -7.424 -5.705 -0.797
81 HA TYR 13 HA TYR 13 -9.415 -6.036 -2.941
82 HB2 TYR 13 1HB TYR 13 -6.525 -4.963 -2.970
83 HB3 TYR 13 2HB TYR 13 -7.607 -4.971 -4.348
84 HD1 TYR 13 2HD TYR 13 -9.732 -3.534 -4.229
85 HD2 TYR 13 1HD TYR 13 -6.490 -3.140 -1.465
86 HE1 TYR 13 2HE TYR 13 -10.548 -1.212 -3.592
87 HE2 TYR 13 1HE TYR 13 -7.317 -0.819 -0.838
88 HH TYR 13 HH TYR 13 -9.012 0.991 -2.474
89 H LYS 14 H LYS 14 -8.565 -7.330 -4.847
90 HA LYS 14 HA LYS 14 -6.394 -9.118 -4.270
91 HB2 LYS 14 1HB LYS 14 -7.579 -11.139 -4.130
92 HB3 LYS 14 2HB LYS 14 -8.403 -10.058 -3.025
93 HG2 LYS 14 1HG LYS 14 -9.287 -10.592 -5.901
94 HG3 LYS 14 2HG LYS 14 -9.977 -11.371 -4.491
95 HD2 LYS 14 1HD LYS 14 -11.430 -9.635 -4.344
96 HD3 LYS 14 2HD LYS 14 -10.081 -8.632 -3.848
97 HE2 LYS 14 1HE LYS 14 -11.139 -7.547 -5.747
98 HE3 LYS 14 2HE LYS 14 -9.589 -8.159 -6.287
99 HZ1 LYS 14 3HZ LYS 14 -11.319 -10.210 -6.693
100 HZ2 LYS 14 1HZ LYS 14 -12.175 -8.892 -7.139
101 HZ3 LYS 14 2HZ LYS 14 -10.732 -9.204 -7.838
102 H ASN 15 H ASN 15 -7.284 -6.986 -6.213
103 HA ASN 15 HA ASN 15 -7.311 -8.688 -8.582
104 HB2 ASN 15 1HB ASN 15 -8.692 -6.120 -7.891
105 HB3 ASN 15 2HB ASN 15 -8.023 -6.180 -9.510
106 HD21 ASN 15 1HD2 ASN 15 -10.632 -5.948 -9.367
107 HD22 ASN 15 2HD2 ASN 15 -11.472 -7.411 -9.758
108 H ASP 16 H ASP 16 -4.832 -8.601 -7.834
109 HA ASP 16 HA ASP 16 -2.866 -8.060 -8.692
110 HB2 ASP 16 1HB ASP 16 -4.376 -6.636 -10.446
111 HB3 ASP 16 2HB ASP 16 -3.658 -5.295 -9.576
112 H SER 17 H SER 17 -1.180 -7.181 -7.408
113 HA SER 17 HA SER 17 -1.898 -5.838 -5.090
114 HB2 SER 17 1HB SER 17 0.582 -5.630 -4.743
115 HB3 SER 17 2HB SER 17 0.071 -7.257 -5.148
116 HG SER 17 HG SER 17 1.012 -7.127 -7.128
117 H GLN 18 H GLN 18 -0.963 -4.754 -8.323
118 HA GLN 18 HA GLN 18 -0.075 -2.213 -7.625
119 HB2 GLN 18 1HB GLN 18 -1.301 -3.313 -10.188
120 HB3 GLN 18 2HB GLN 18 -0.653 -1.689 -10.067
121 HG2 GLN 18 1HG GLN 18 1.513 -2.867 -9.137
122 HG3 GLN 18 2HG GLN 18 0.830 -4.327 -9.824
123 HE21 GLN 18 1HE2 GLN 18 2.748 -4.287 -11.149
124 HE22 GLN 18 2HE2 GLN 18 2.786 -3.361 -12.612
125 H LEU 19 H LEU 19 -3.218 -3.659 -7.552
126 HA LEU 19 HA LEU 19 -4.692 -1.263 -8.048
127 HB2 LEU 19 1HB LEU 19 -5.619 -3.424 -8.577
128 HB3 LEU 19 2HB LEU 19 -5.454 -3.956 -6.916
129 HG LEU 19 HG LEU 19 -7.094 -2.190 -6.235
130 HD11 LEU 19 1HD1 LEU 19 -8.542 -1.255 -8.074
131 HD12 LEU 19 2HD1 LEU 19 -6.898 -0.580 -7.971
132 HD13 LEU 19 3HD1 LEU 19 -7.290 -1.780 -9.226
133 HD21 LEU 19 3HD2 LEU 19 -7.982 -4.291 -8.226
134 HD22 LEU 19 1HD2 LEU 19 -7.858 -4.447 -6.457
135 HD23 LEU 19 2HD2 LEU 19 -9.086 -3.375 -7.173
136 H ALA 20 H ALA 20 -4.200 -3.304 -5.075
137 HA ALA 20 HA ALA 20 -5.232 -1.372 -3.341
138 HB1 ALA 20 3HB ALA 20 -3.152 -3.460 -2.626
139 HB2 ALA 20 1HB ALA 20 -4.480 -2.827 -1.624
140 HB3 ALA 20 2HB ALA 20 -4.836 -3.896 -3.002
141 H TRP 21 H TRP 21 -2.036 -1.850 -4.824
142 HA TRP 21 HA TRP 21 -0.674 -0.113 -3.025
143 HB2 TRP 21 1HB TRP 21 0.682 -1.694 -4.039
144 HB3 TRP 21 2HB TRP 21 -0.029 -1.458 -5.623
145 HD1 TRP 21 HD TRP 21 0.808 0.817 -6.988
146 HE1 TRP 21 1HE TRP 21 3.036 2.230 -6.930
147 HE3 TRP 21 3HE TRP 21 2.428 -0.944 -2.501
148 HZ2 TRP 21 2HZ TRP 21 5.178 2.447 -5.057
149 HZ3 TRP 21 3HZ TRP 21 4.598 -0.081 -1.630
150 HH2 TRP 21 HH TRP 21 5.958 1.557 -2.830
151 H ASP 22 H ASP 22 -2.356 0.135 -6.195
152 HA ASP 22 HA ASP 22 -1.510 2.716 -6.764
153 HB2 ASP 22 1HB ASP 22 -3.713 0.884 -7.651
154 HB3 ASP 22 2HB ASP 22 -3.954 2.587 -7.990
155 H THR 23 H THR 23 -3.542 1.468 -4.300
156 HA THR 23 HA THR 23 -5.306 3.773 -4.177
157 HB THR 23 HB THR 23 -5.147 1.010 -3.087
158 HG1 THR 23 1HG THR 23 -6.762 1.837 -4.592
159 HG21 THR 23 3HG2 THR 23 -5.084 1.962 -0.887
160 HG22 THR 23 1HG2 THR 23 -6.035 3.381 -1.388
161 HG23 THR 23 2HG2 THR 23 -6.822 1.792 -1.229
162 H CYS 24 H CYS 24 -3.297 2.160 -1.632
163 HA CYS 24 HA CYS 24 -3.095 4.563 -0.192
164 HB2 CYS 24 1HB CYS 24 -2.762 2.943 1.300
165 HB3 CYS 24 2HB CYS 24 -2.224 1.796 0.089
166 H SER 25 H SER 25 -0.621 2.587 -2.005
167 HA SER 25 HA SER 25 1.193 4.771 -1.956
168 HB2 SER 25 1HB SER 25 2.175 2.935 -3.816
169 HB3 SER 25 2HB SER 25 2.567 2.979 -2.109
170 HG SER 25 HG SER 25 1.214 1.308 -1.690
171 H GLY 26 H GLY 26 -0.983 5.893 -3.074
172 HA2 GLY 26 1HA GLY 26 -0.289 6.061 -5.939
173 HA3 GLY 26 2HA GLY 26 -1.955 5.899 -5.420
174 H GLY 27 H GLY 27 -2.886 7.878 -5.835
175 HA2 GLY 27 1HA GLY 27 -1.415 10.285 -4.979
176 HA3 GLY 27 2HA GLY 27 -2.693 10.216 -6.176
177 H THR 28 H THR 28 -4.622 8.600 -4.832
178 HA THR 28 HA THR 28 -5.167 10.136 -2.386
179 HB THR 28 HB THR 28 -7.517 10.390 -3.186
180 HG1 THR 28 1HG THR 28 -7.289 8.394 -4.559
181 HG21 THR 28 3HG2 THR 28 -6.944 11.630 -5.474
182 HG22 THR 28 1HG2 THR 28 -6.360 12.314 -3.938
183 HG23 THR 28 2HG2 THR 28 -5.259 11.364 -4.965
184 H GLY 29 H GLY 29 -7.745 8.879 -1.986
185 HA2 GLY 29 1HA GLY 29 -8.670 6.805 -1.527
186 HA3 GLY 29 2HA GLY 29 -7.133 6.025 -1.845
187 H ASN 30 H ASN 30 -6.041 5.266 -0.088
188 HA ASN 30 HA ASN 30 -6.362 6.768 2.379
189 HB2 ASN 30 1HB ASN 30 -6.165 4.261 3.401
190 HB3 ASN 30 2HB ASN 30 -7.715 4.990 3.029
191 HD21 ASN 30 1HD2 ASN 30 -8.869 4.374 1.227
192 HD22 ASN 30 2HD2 ASN 30 -8.529 2.940 0.317
193 H CYS 31 H CYS 31 -4.161 7.436 1.217
194 HA CYS 31 HA CYS 31 -2.099 5.465 1.295
195 HB2 CYS 31 1HB CYS 31 -0.693 7.085 0.386
196 HB3 CYS 31 2HB CYS 31 -2.261 7.395 -0.333
197 H GLY 32 H GLY 32 -0.518 5.204 2.919
198 HA2 GLY 32 1HA GLY 32 0.142 7.031 4.897
199 HA3 GLY 32 2HA GLY 32 -1.184 6.078 5.535
200 H THR 33 H THR 33 0.817 5.596 7.058
201 HA THR 33 HA THR 33 2.613 3.607 5.951
202 HB THR 33 HB THR 33 2.295 4.728 8.786
203 HG1 THR 33 1HG THR 33 3.876 5.385 6.402
204 HG21 THR 33 3HG2 THR 33 4.585 3.315 7.321
205 HG22 THR 33 1HG2 THR 33 4.764 4.155 8.880
206 HG23 THR 33 2HG2 THR 33 3.724 2.716 8.759
207 H VAL 34 H VAL 34 -0.572 3.590 6.978
208 HA VAL 34 HA VAL 34 -0.495 1.216 8.552
209 HB VAL 34 HB VAL 34 -2.700 2.738 7.157
210 HG11 VAL 34 1HG1 VAL 34 -2.873 0.329 8.994
211 HG12 VAL 34 2HG1 VAL 34 -4.248 1.390 8.605
212 HG13 VAL 34 3HG1 VAL 34 -3.449 0.460 7.315
213 HG21 VAL 34 3HG2 VAL 34 -2.921 2.703 10.007
214 HG22 VAL 34 1HG2 VAL 34 -1.257 3.169 9.582
215 HG23 VAL 34 2HG2 VAL 34 -2.633 4.089 8.928
216 H CYS 35 H CYS 35 -1.165 2.044 5.103
217 HA CYS 35 HA CYS 35 -1.911 -0.530 4.345
218 HB2 CYS 35 1HB CYS 35 -2.333 0.504 2.443
219 HB3 CYS 35 2HB CYS 35 -1.664 1.971 3.129
220 H CYS 36 H CYS 36 1.090 0.803 5.402
221 HA CYS 36 HA CYS 36 2.944 -0.470 3.834
222 HB2 CYS 36 1HB CYS 36 4.471 0.201 5.353
223 HB3 CYS 36 2HB CYS 36 3.131 1.207 5.867
224 H GLY 37 H GLY 37 1.340 -1.588 6.905
225 HA2 GLY 37 1HA GLY 37 2.141 -4.348 6.206
226 HA3 GLY 37 2HA GLY 37 1.919 -3.742 7.835
227 H GLN 38 H GLN 38 -0.142 -3.155 4.918
228 HA GLN 38 HA GLN 38 -2.265 -4.547 6.358
229 HB2 GLN 38 1HB GLN 38 -2.238 -1.861 5.827
230 HB3 GLN 38 2HB GLN 38 -3.029 -2.447 4.378
231 HG2 GLN 38 1HG GLN 38 -4.762 -1.993 6.012
232 HG3 GLN 38 2HG GLN 38 -4.652 -3.734 5.838
233 HE21 GLN 38 1HE2 GLN 38 -5.705 -3.768 7.910
234 HE22 GLN 38 2HE2 GLN 38 -4.785 -3.632 9.371
235 H CYS 39 H CYS 39 -1.047 -3.501 3.105
236 HA CYS 39 HA CYS 39 -2.401 -5.853 2.005
237 HB2 CYS 39 1HB CYS 39 -1.662 -3.215 0.739
238 HB3 CYS 39 2HB CYS 39 -2.095 -4.627 -0.204
239 H PHE 40 H PHE 40 0.614 -4.188 2.691
240 HA PHE 40 HA PHE 40 2.043 -6.379 1.383
241 HB2 PHE 40 1HB PHE 40 3.176 -3.563 1.495
242 HB3 PHE 40 2HB PHE 40 3.494 -4.812 0.307
243 HD1 PHE 40 2HD PHE 40 1.218 -2.125 1.297
244 HD2 PHE 40 1HD PHE 40 2.017 -5.126 -1.595
245 HE1 PHE 40 2HE PHE 40 -0.420 -1.050 -0.272
246 HE2 PHE 40 1HE PHE 40 0.379 -4.051 -3.164
247 HZ PHE 40 HZ PHE 40 -0.820 -2.025 -2.483
248 H SER 41 H SER 41 4.606 -5.905 2.095
249 HA SER 41 HA SER 41 4.660 -5.089 4.846
250 HB2 SER 41 1HB SER 41 5.986 -7.406 5.228
251 HB3 SER 41 2HB SER 41 4.264 -7.252 5.515
252 HG SER 41 HG SER 41 4.355 -7.808 2.956
253 H PHE 42 H PHE 42 6.953 -4.937 5.661
254 HA PHE 42 HA PHE 42 8.610 -3.736 3.830
255 HB2 PHE 42 1HB PHE 42 8.502 -4.447 6.604
256 HB3 PHE 42 2HB PHE 42 10.008 -5.136 6.033
257 HD1 PHE 42 1HD PHE 42 8.097 -1.948 6.128
258 HD2 PHE 42 2HD PHE 42 11.905 -3.793 5.810
259 HE1 PHE 42 1HE PHE 42 9.201 0.297 6.330
260 HE2 PHE 42 2HE PHE 42 13.010 -1.548 6.012
261 HZ PHE 42 HZ PHE 42 11.645 0.470 6.269
262 HA PRO 43 HA PRO 43 10.737 -3.482 3.841
263 HB2 PRO 43 1HB PRO 43 12.398 -3.102 1.705
264 HB3 PRO 43 2HB PRO 43 12.952 -3.705 3.254
265 HG2 PRO 43 1HG PRO 43 12.525 -5.188 0.732
266 HG3 PRO 43 2HG PRO 43 13.460 -5.659 2.138
267 HD2 PRO 43 1HD PRO 43 10.859 -6.622 1.405
268 HD3 PRO 43 2HD PRO 43 11.744 -7.004 2.868
269 H VAL 44 H VAL 44 8.635 -4.817 1.881
270 HA VAL 44 HA VAL 44 8.330 -2.777 -0.064
271 HB VAL 44 HB VAL 44 6.136 -4.610 0.840
272 HG11 VAL 44 1HG1 VAL 44 7.037 -3.408 -1.784
273 HG12 VAL 44 2HG1 VAL 44 5.893 -4.770 -1.711
274 HG13 VAL 44 3HG1 VAL 44 5.479 -3.217 -0.945
275 HG21 VAL 44 3HG2 VAL 44 7.506 -6.080 -1.064
276 HG22 VAL 44 1HG2 VAL 44 8.810 -5.428 -0.042
277 HG23 VAL 44 2HG2 VAL 44 7.500 -6.386 0.690
278 H SER 45 H SER 45 6.999 -3.438 3.205
279 HA SER 45 HA SER 45 4.947 -1.670 3.212
280 HB2 SER 45 1HB SER 45 4.970 -2.812 5.195
281 HB3 SER 45 2HB SER 45 6.719 -2.912 5.238
282 HG SER 45 HG SER 45 6.734 -0.621 5.898
283 H GLN 46 H GLN 46 8.414 -1.064 3.137
284 HA GLN 46 HA GLN 46 8.252 1.561 4.170
285 HB2 GLN 46 1HB GLN 46 10.296 -0.106 3.980
286 HB3 GLN 46 2HB GLN 46 10.492 0.589 2.383
287 HG2 GLN 46 1HG GLN 46 10.199 2.889 3.816
288 HG3 GLN 46 2HG GLN 46 10.868 1.867 5.072
289 HE21 GLN 46 1HE2 GLN 46 11.578 3.945 2.624
290 HE22 GLN 46 2HE2 GLN 46 13.222 3.518 2.283
291 H SER 47 H SER 47 7.906 0.027 0.989
292 HA SER 47 HA SER 47 8.243 2.445 -0.442
293 HB2 SER 47 1HB SER 47 6.747 0.071 -1.557
294 HB3 SER 47 2HB SER 47 7.856 1.156 -2.372
295 HG SER 47 HG SER 47 9.475 0.145 -0.692
296 H CYS 48 H CYS 48 5.509 0.533 0.888
297 HA CYS 48 HA CYS 48 3.425 1.745 -0.407
298 HB2 CYS 48 1HB CYS 48 2.755 -0.048 0.824
299 HB3 CYS 48 2HB CYS 48 3.773 0.351 2.193
300 H ALA 49 H ALA 49 5.242 2.723 2.569
301 HA ALA 49 HA ALA 49 3.655 5.070 2.943
302 HB1 ALA 49 3HB ALA 49 4.585 4.081 4.892
303 HB2 ALA 49 1HB ALA 49 6.201 3.955 4.158
304 HB3 ALA 49 2HB ALA 49 5.554 5.549 4.616
305 H GLY 50 H GLY 50 6.419 4.128 1.004
306 HA2 GLY 50 1HA GLY 50 7.540 6.752 0.730
307 HA3 GLY 50 2HA GLY 50 7.918 5.320 -0.207
308 H MET 51 H MET 51 5.606 4.556 -1.439
309 HA MET 51 HA MET 51 5.222 6.755 -3.240
310 HB2 MET 51 1HB MET 51 5.608 4.216 -3.808
311 HB3 MET 51 2HB MET 51 3.928 3.986 -3.366
312 HG2 MET 51 1HG MET 51 4.061 4.324 -5.788
313 HG3 MET 51 2HG MET 51 3.257 5.708 -5.074
314 HE1 MET 51 3HE MET 51 4.790 6.766 -8.061
315 HE2 MET 51 1HE MET 51 6.211 5.695 -8.015
316 HE3 MET 51 2HE MET 51 4.591 5.038 -7.681
317 H ALA 52 H ALA 52 4.030 6.693 -0.412
318 HA ALA 52 HA ALA 52 1.193 6.496 -0.963
319 HB1 ALA 52 3HB ALA 52 2.882 6.164 1.286
320 HB2 ALA 52 1HB ALA 52 1.885 7.598 1.627
321 HB3 ALA 52 2HB ALA 52 1.107 6.046 1.237
322 H ASP 53 H ASP 53 2.450 8.394 -2.623
323 HA ASP 53 HA ASP 53 2.345 10.461 -3.269
324 HB2 ASP 53 1HB ASP 53 -0.133 9.985 -2.694
325 HB3 ASP 53 2HB ASP 53 0.131 10.892 -1.218
326 H SER 54 H SER 54 2.401 12.922 -2.422
327 HA SER 54 HA SER 54 4.018 12.866 -0.008
328 HB2 SER 54 1HB SER 54 4.115 14.371 -2.554
329 HB3 SER 54 2HB SER 54 4.340 15.389 -1.146
330 HG SER 54 HG SER 54 6.104 13.645 -2.298
331 H ASN 55 H ASN 55 2.436 15.732 -1.485
332 HA ASN 55 HA ASN 55 0.921 15.980 0.993
333 HB2 ASN 55 1HB ASN 55 2.737 17.772 -0.133
334 HB3 ASN 55 2HB ASN 55 1.214 18.392 -0.739
335 HD21 ASN 55 1HD2 ASN 55 1.003 20.175 0.459
336 HD22 ASN 55 2HD2 ASN 55 0.848 20.223 2.183
337 H ASP 56 H ASP 56 0.777 15.291 -2.346
338 HA ASP 56 HA ASP 56 -1.564 16.711 -2.998
339 HB2 ASP 56 1HB ASP 56 -0.406 14.187 -4.271
340 HB3 ASP 56 2HB ASP 56 -1.582 15.253 -5.012
341 H CYS 57 H CYS 57 -0.975 14.176 -0.864
342 HA CYS 57 HA CYS 57 -3.217 12.529 -1.540
343 HB2 CYS 57 1HB CYS 57 -0.883 12.236 -0.010
344 HB3 CYS 57 2HB CYS 57 -2.198 12.154 1.145
345 HA PRO 58 HA PRO 58 -6.086 14.753 0.868
346 HB2 PRO 58 1HB PRO 58 -7.935 12.826 1.446
347 HB3 PRO 58 2HB PRO 58 -7.868 13.659 -0.094
348 HG2 PRO 58 1HG PRO 58 -7.019 10.905 0.562
349 HG3 PRO 58 2HG PRO 58 -7.357 11.604 -1.009
350 HD2 PRO 58 1HD PRO 58 -4.771 11.077 0.114
351 HD3 PRO 58 2HD PRO 58 -5.109 11.882 -1.405
352 H ASN 59 H ASN 59 -3.970 14.632 2.358
353 HA ASN 59 HA ASN 59 -4.703 13.201 4.746
354 HB2 ASN 59 1HB ASN 59 -2.233 14.628 3.732
355 HB3 ASN 59 2HB ASN 59 -2.409 14.432 5.464
356 HD21 ASN 59 1HD2 ASN 59 -3.323 12.125 6.027
357 HD22 ASN 59 2HD2 ASN 59 -2.445 10.800 5.339
358 H ALA 60 H ALA 60 -4.441 14.486 6.910
359 HA ALA 60 HA ALA 60 -5.284 16.069 8.221
360 HB1 ALA 60 3HB ALA 60 -4.302 18.264 6.461
361 HB2 ALA 60 1HB ALA 60 -3.988 17.952 8.185
362 HB3 ALA 60 2HB ALA 60 -3.098 17.044 6.940
Start of MODEL 12
1 H1 ASP 1 H ASP 1 9.871 -5.059 -7.081
2 HA ASP 1 HA ASP 1 8.131 -6.313 -7.394
3 HB2 ASP 1 1HB ASP 1 9.285 -8.467 -5.593
4 HB3 ASP 1 2HB ASP 1 8.303 -8.672 -7.030
5 H ILE 2 H ILE 2 6.189 -5.783 -6.382
6 HA ILE 2 HA ILE 2 6.119 -5.933 -3.460
7 HB ILE 2 HB ILE 2 4.700 -4.179 -3.452
8 HG12 ILE 2 1HG1 ILE 2 3.695 -5.016 -6.187
9 HG13 ILE 2 2HG1 ILE 2 2.886 -5.267 -4.653
10 HG21 ILE 2 1HG2 ILE 2 5.814 -3.602 -6.194
11 HG22 ILE 2 2HG2 ILE 2 5.505 -2.482 -4.845
12 HG23 ILE 2 3HG2 ILE 2 6.850 -3.644 -4.747
13 HD11 ILE 2 3HD1 ILE 2 2.110 -3.241 -6.044
14 HD12 ILE 2 1HD1 ILE 2 2.500 -2.921 -4.338
15 HD13 ILE 2 2HD1 ILE 2 3.662 -2.484 -5.613
16 H GLU 3 H GLU 3 4.607 -7.093 -6.485
17 HA GLU 3 HA GLU 3 2.364 -8.225 -5.421
18 HB2 GLU 3 1HB GLU 3 2.503 -9.797 -7.404
19 HB3 GLU 3 2HB GLU 3 2.649 -8.099 -7.810
20 HG2 GLU 3 1HG GLU 3 5.106 -8.292 -7.939
21 HG3 GLU 3 2HG GLU 3 5.039 -9.953 -7.386
22 H ASP 4 H ASP 4 5.747 -9.232 -5.201
23 HA ASP 4 HA ASP 4 5.182 -11.900 -4.508
24 HB2 ASP 4 1HB ASP 4 7.638 -10.172 -3.942
25 HB3 ASP 4 2HB ASP 4 7.581 -11.913 -3.754
26 H PHE 5 H PHE 5 4.781 -8.881 -2.934
27 HA PHE 5 HA PHE 5 4.847 -10.193 -0.308
28 HB2 PHE 5 1HB PHE 5 5.758 -7.500 -1.380
29 HB3 PHE 5 2HB PHE 5 5.109 -7.525 0.248
30 HD1 PHE 5 1HD PHE 5 6.263 -8.790 2.024
31 HD2 PHE 5 2HD PHE 5 7.906 -8.456 -1.874
32 HE1 PHE 5 1HE PHE 5 8.496 -9.524 2.902
33 HE2 PHE 5 2HE PHE 5 10.139 -9.190 -0.996
34 HZ PHE 5 HZ PHE 5 10.408 -9.715 1.382
35 H TYR 6 H TYR 6 2.712 -9.649 -2.546
36 HA TYR 6 HA TYR 6 0.933 -7.779 -1.308
37 HB2 TYR 6 1HB TYR 6 1.108 -8.296 -3.787
38 HB3 TYR 6 2HB TYR 6 0.675 -9.964 -3.469
39 HD1 TYR 6 1HD TYR 6 -1.133 -7.649 -1.402
40 HD2 TYR 6 2HD TYR 6 -1.082 -9.463 -5.277
41 HE1 TYR 6 1HE TYR 6 -3.590 -7.073 -1.713
42 HE2 TYR 6 2HE TYR 6 -3.539 -8.881 -5.574
43 HH TYR 6 HH TYR 6 -5.423 -7.614 -2.927
44 H THR 7 H THR 7 -0.431 -8.168 0.360
45 HA THR 7 HA THR 7 -1.017 -10.986 0.967
46 HB THR 7 HB THR 7 -1.303 -10.171 3.284
47 HG1 THR 7 1HG THR 7 -2.157 -8.046 2.426
48 HG21 THR 7 3HG2 THR 7 0.934 -9.682 3.785
49 HG22 THR 7 1HG2 THR 7 1.140 -10.328 2.139
50 HG23 THR 7 2HG2 THR 7 1.101 -8.568 2.406
51 H SER 8 H SER 8 -2.716 -11.250 -0.541
52 HA SER 8 HA SER 8 -4.838 -9.418 -0.614
53 HB2 SER 8 1HB SER 8 -4.007 -11.408 -2.254
54 HB3 SER 8 2HB SER 8 -5.273 -12.279 -1.412
55 HG SER 8 HG SER 8 -6.823 -10.980 -2.265
56 H GLU 9 H GLU 9 -3.844 -11.534 1.803
57 HA GLU 9 HA GLU 9 -6.358 -12.588 2.539
58 HB2 GLU 9 1HB GLU 9 -3.686 -13.062 3.223
59 HB3 GLU 9 2HB GLU 9 -4.354 -12.381 4.693
60 HG2 GLU 9 1HG GLU 9 -6.372 -14.121 3.979
61 HG3 GLU 9 2HG GLU 9 -4.976 -14.973 3.350
62 H THR 10 H THR 10 -4.231 -9.945 3.842
63 HA THR 10 HA THR 10 -6.455 -9.025 5.492
64 HB THR 10 HB THR 10 -4.364 -9.142 6.666
65 HG1 THR 10 1HG THR 10 -4.489 -6.461 5.493
66 HG21 THR 10 3HG2 THR 10 -2.412 -7.660 5.635
67 HG22 THR 10 1HG2 THR 10 -2.616 -9.337 5.076
68 HG23 THR 10 2HG2 THR 10 -3.237 -7.990 4.092
69 H CYS 11 H CYS 11 -4.754 -8.285 2.493
70 HA CYS 11 HA CYS 11 -5.472 -5.595 2.332
71 HB2 CYS 11 1HB CYS 11 -3.754 -6.792 0.950
72 HB3 CYS 11 2HB CYS 11 -5.061 -7.518 0.036
73 HA PRO 12 HA PRO 12 -9.734 -6.098 1.509
74 HB2 PRO 12 1HB PRO 12 -10.350 -3.538 0.778
75 HB3 PRO 12 2HB PRO 12 -10.229 -4.055 2.448
76 HG2 PRO 12 1HG PRO 12 -8.324 -2.442 0.864
77 HG3 PRO 12 2HG PRO 12 -8.439 -2.609 2.605
78 HD2 PRO 12 1HD PRO 12 -6.511 -3.855 0.885
79 HD3 PRO 12 2HD PRO 12 -6.699 -4.111 2.608
80 H TYR 13 H TYR 13 -7.403 -5.757 -0.750
81 HA TYR 13 HA TYR 13 -9.407 -5.956 -2.897
82 HB2 TYR 13 1HB TYR 13 -6.481 -4.990 -2.794
83 HB3 TYR 13 2HB TYR 13 -7.405 -5.099 -4.279
84 HD1 TYR 13 2HD TYR 13 -9.415 -3.600 -4.600
85 HD2 TYR 13 1HD TYR 13 -6.692 -3.111 -1.337
86 HE1 TYR 13 2HE TYR 13 -10.271 -1.235 -4.231
87 HE2 TYR 13 1HE TYR 13 -7.557 -0.747 -0.979
88 HH TYR 13 HH TYR 13 -8.817 1.014 -2.873
89 H LYS 14 H LYS 14 -8.643 -7.293 -4.809
90 HA LYS 14 HA LYS 14 -6.596 -9.224 -4.247
91 HB2 LYS 14 1HB LYS 14 -7.929 -11.172 -4.151
92 HB3 LYS 14 2HB LYS 14 -8.614 -10.061 -2.982
93 HG2 LYS 14 1HG LYS 14 -9.657 -10.423 -5.831
94 HG3 LYS 14 2HG LYS 14 -10.347 -11.200 -4.420
95 HD2 LYS 14 1HD LYS 14 -11.653 -9.362 -4.157
96 HD3 LYS 14 2HD LYS 14 -10.211 -8.492 -3.671
97 HE2 LYS 14 1HE LYS 14 -11.117 -7.197 -5.461
98 HE3 LYS 14 2HE LYS 14 -9.777 -8.066 -6.183
99 HZ1 LYS 14 3HZ LYS 14 -11.421 -8.525 -7.641
100 HZ2 LYS 14 1HZ LYS 14 -11.644 -9.797 -6.641
101 HZ3 LYS 14 2HZ LYS 14 -12.620 -8.492 -6.533
102 H ASN 15 H ASN 15 -7.181 -7.058 -6.174
103 HA ASN 15 HA ASN 15 -7.273 -8.750 -8.544
104 HB2 ASN 15 1HB ASN 15 -8.750 -6.214 -7.897
105 HB3 ASN 15 2HB ASN 15 -8.091 -6.311 -9.518
106 HD21 ASN 15 1HD2 ASN 15 -10.744 -6.162 -9.230
107 HD22 ASN 15 2HD2 ASN 15 -11.529 -7.659 -9.609
108 H ASP 16 H ASP 16 -4.817 -8.627 -7.929
109 HA ASP 16 HA ASP 16 -2.881 -7.979 -8.767
110 HB2 ASP 16 1HB ASP 16 -4.480 -6.487 -10.404
111 HB3 ASP 16 2HB ASP 16 -3.726 -5.192 -9.496
112 H SER 17 H SER 17 -1.213 -7.152 -7.436
113 HA SER 17 HA SER 17 -1.950 -5.896 -5.068
114 HB2 SER 17 1HB SER 17 0.554 -5.686 -4.731
115 HB3 SER 17 2HB SER 17 -0.001 -7.307 -5.096
116 HG SER 17 HG SER 17 0.522 -6.078 -7.459
117 H GLN 18 H GLN 18 -1.155 -4.703 -8.264
118 HA GLN 18 HA GLN 18 -0.181 -2.196 -7.483
119 HB2 GLN 18 1HB GLN 18 -1.311 -3.339 -10.052
120 HB3 GLN 18 2HB GLN 18 -0.943 -1.629 -9.940
121 HG2 GLN 18 1HG GLN 18 1.397 -2.086 -9.413
122 HG3 GLN 18 2HG GLN 18 1.079 -3.799 -9.223
123 HE21 GLN 18 1HE2 GLN 18 1.143 -1.115 -11.498
124 HE22 GLN 18 2HE2 GLN 18 1.389 -2.036 -12.945
125 H LEU 19 H LEU 19 -3.374 -3.624 -7.629
126 HA LEU 19 HA LEU 19 -4.821 -1.214 -7.981
127 HB2 LEU 19 1HB LEU 19 -5.807 -3.298 -8.574
128 HB3 LEU 19 2HB LEU 19 -5.547 -3.961 -6.973
129 HG LEU 19 HG LEU 19 -7.152 -2.240 -6.074
130 HD11 LEU 19 1HD1 LEU 19 -8.557 -0.984 -7.510
131 HD12 LEU 19 2HD1 LEU 19 -6.888 -0.698 -8.059
132 HD13 LEU 19 3HD1 LEU 19 -7.943 -1.813 -8.961
133 HD21 LEU 19 3HD2 LEU 19 -9.195 -3.405 -7.141
134 HD22 LEU 19 1HD2 LEU 19 -7.991 -4.386 -8.011
135 HD23 LEU 19 2HD2 LEU 19 -8.024 -4.391 -6.232
136 H ALA 20 H ALA 20 -4.085 -3.271 -5.076
137 HA ALA 20 HA ALA 20 -5.189 -1.382 -3.284
138 HB1 ALA 20 3HB ALA 20 -3.128 -3.514 -2.641
139 HB2 ALA 20 1HB ALA 20 -4.423 -2.875 -1.600
140 HB3 ALA 20 2HB ALA 20 -4.828 -3.912 -2.989
141 H TRP 21 H TRP 21 -2.010 -1.876 -4.803
142 HA TRP 21 HA TRP 21 -0.612 -0.186 -2.990
143 HB2 TRP 21 1HB TRP 21 0.720 -1.758 -4.044
144 HB3 TRP 21 2HB TRP 21 -0.011 -1.496 -5.615
145 HD1 TRP 21 HD TRP 21 0.875 0.715 -7.008
146 HE1 TRP 21 1HE TRP 21 3.098 2.135 -6.947
147 HE3 TRP 21 3HE TRP 21 2.427 -0.941 -2.458
148 HZ2 TRP 21 2HZ TRP 21 5.209 2.400 -5.045
149 HZ3 TRP 21 3HZ TRP 21 4.581 -0.051 -1.572
150 HH2 TRP 21 HH TRP 21 5.956 1.563 -2.787
151 H ASP 22 H ASP 22 -2.119 0.133 -6.267
152 HA ASP 22 HA ASP 22 -1.330 2.778 -6.617
153 HB2 ASP 22 1HB ASP 22 -2.067 1.381 -8.491
154 HB3 ASP 22 2HB ASP 22 -3.645 1.155 -7.764
155 H THR 23 H THR 23 -3.523 1.322 -4.438
156 HA THR 23 HA THR 23 -5.490 3.439 -4.440
157 HB THR 23 HB THR 23 -5.094 0.729 -3.293
158 HG1 THR 23 1HG THR 23 -7.158 0.743 -4.148
159 HG21 THR 23 3HG2 THR 23 -6.540 1.057 -1.362
160 HG22 THR 23 1HG2 THR 23 -5.193 2.208 -1.186
161 HG23 THR 23 2HG2 THR 23 -6.779 2.774 -1.764
162 H CYS 24 H CYS 24 -2.951 2.227 -2.152
163 HA CYS 24 HA CYS 24 -3.261 4.686 -0.659
164 HB2 CYS 24 1HB CYS 24 -2.958 3.191 0.965
165 HB3 CYS 24 2HB CYS 24 -2.267 1.999 -0.118
166 H SER 25 H SER 25 -0.582 2.733 -2.180
167 HA SER 25 HA SER 25 1.160 4.956 -2.115
168 HB2 SER 25 1HB SER 25 2.264 3.135 -3.915
169 HB3 SER 25 2HB SER 25 2.565 3.182 -2.189
170 HG SER 25 HG SER 25 1.035 1.577 -1.830
171 H GLY 26 H GLY 26 -0.930 6.086 -3.321
172 HA2 GLY 26 1HA GLY 26 -0.131 6.237 -6.156
173 HA3 GLY 26 2HA GLY 26 -1.816 6.040 -5.717
174 H GLY 27 H GLY 27 -2.976 7.909 -5.669
175 HA2 GLY 27 1HA GLY 27 -1.504 10.417 -5.185
176 HA3 GLY 27 2HA GLY 27 -3.003 10.246 -6.076
177 H THR 28 H THR 28 -4.705 8.812 -4.511
178 HA THR 28 HA THR 28 -4.635 10.048 -1.854
179 HB THR 28 HB THR 28 -6.957 10.822 -2.153
180 HG1 THR 28 1HG THR 28 -7.498 9.029 -3.642
181 HG21 THR 28 3HG2 THR 28 -5.104 11.545 -4.474
182 HG22 THR 28 1HG2 THR 28 -6.702 12.298 -4.262
183 HG23 THR 28 2HG2 THR 28 -5.447 12.510 -3.018
184 H GLY 29 H GLY 29 -7.419 9.082 -1.383
185 HA2 GLY 29 1HA GLY 29 -8.545 7.078 -1.099
186 HA3 GLY 29 2HA GLY 29 -7.132 6.184 -1.624
187 H ASN 30 H ASN 30 -6.682 4.817 0.080
188 HA ASN 30 HA ASN 30 -6.728 5.978 2.730
189 HB2 ASN 30 1HB ASN 30 -6.292 3.473 3.362
190 HB3 ASN 30 2HB ASN 30 -7.870 3.885 2.721
191 HD21 ASN 30 1HD2 ASN 30 -5.008 2.086 2.323
192 HD22 ASN 30 2HD2 ASN 30 -5.356 1.325 0.807
193 H CYS 31 H CYS 31 -4.629 6.867 0.986
194 HA CYS 31 HA CYS 31 -2.325 5.266 1.226
195 HB2 CYS 31 1HB CYS 31 -1.147 7.065 0.257
196 HB3 CYS 31 2HB CYS 31 -2.717 7.005 -0.518
197 H GLY 32 H GLY 32 -0.861 5.126 2.922
198 HA2 GLY 32 1HA GLY 32 -0.296 7.173 4.742
199 HA3 GLY 32 2HA GLY 32 -1.530 6.154 5.455
200 H THR 33 H THR 33 0.422 5.860 7.019
201 HA THR 33 HA THR 33 2.444 4.037 6.019
202 HB THR 33 HB THR 33 1.914 5.221 8.796
203 HG1 THR 33 1HG THR 33 3.759 6.594 7.900
204 HG21 THR 33 3HG2 THR 33 4.400 4.824 9.047
205 HG22 THR 33 1HG2 THR 33 3.478 3.308 8.919
206 HG23 THR 33 2HG2 THR 33 4.376 3.925 7.511
207 H VAL 34 H VAL 34 -0.758 3.745 6.994
208 HA VAL 34 HA VAL 34 -0.392 1.316 8.502
209 HB VAL 34 HB VAL 34 -2.807 2.813 7.477
210 HG11 VAL 34 1HG1 VAL 34 -2.575 0.083 8.502
211 HG12 VAL 34 2HG1 VAL 34 -3.685 1.086 9.466
212 HG13 VAL 34 3HG1 VAL 34 -3.948 0.899 7.716
213 HG21 VAL 34 3HG2 VAL 34 -2.037 4.102 9.219
214 HG22 VAL 34 1HG2 VAL 34 -3.067 2.956 10.110
215 HG23 VAL 34 2HG2 VAL 34 -1.303 2.720 10.066
216 H CYS 35 H CYS 35 -1.152 2.372 5.176
217 HA CYS 35 HA CYS 35 -2.095 -0.077 4.248
218 HB2 CYS 35 1HB CYS 35 -2.439 1.129 2.434
219 HB3 CYS 35 2HB CYS 35 -1.621 2.476 3.200
220 H CYS 36 H CYS 36 1.028 0.991 5.317
221 HA CYS 36 HA CYS 36 2.745 -0.371 3.672
222 HB2 CYS 36 1HB CYS 36 2.993 0.070 6.655
223 HB3 CYS 36 2HB CYS 36 4.301 -0.382 5.580
224 H GLY 37 H GLY 37 1.940 -1.522 7.021
225 HA2 GLY 37 1HA GLY 37 2.278 -4.275 6.150
226 HA3 GLY 37 2HA GLY 37 2.077 -3.684 7.787
227 H GLN 38 H GLN 38 0.075 -3.207 4.791
228 HA GLN 38 HA GLN 38 -2.119 -4.408 6.295
229 HB2 GLN 38 1HB GLN 38 -1.982 -1.768 5.500
230 HB3 GLN 38 2HB GLN 38 -2.831 -2.482 4.143
231 HG2 GLN 38 1HG GLN 38 -4.578 -3.365 5.584
232 HG3 GLN 38 2HG GLN 38 -3.663 -2.994 7.032
233 HE21 GLN 38 1HE2 GLN 38 -5.758 -1.950 7.530
234 HE22 GLN 38 2HE2 GLN 38 -5.994 -0.294 7.079
235 H CYS 39 H CYS 39 -0.988 -3.552 2.943
236 HA CYS 39 HA CYS 39 -2.253 -6.039 2.053
237 HB2 CYS 39 1HB CYS 39 -1.608 -3.528 0.495
238 HB3 CYS 39 2HB CYS 39 -2.211 -5.012 -0.214
239 H PHE 40 H PHE 40 0.695 -4.306 2.666
240 HA PHE 40 HA PHE 40 2.177 -6.435 1.314
241 HB2 PHE 40 1HB PHE 40 3.229 -3.589 1.474
242 HB3 PHE 40 2HB PHE 40 3.586 -4.808 0.267
243 HD1 PHE 40 2HD PHE 40 2.090 -5.164 -1.625
244 HD2 PHE 40 1HD PHE 40 1.259 -2.183 1.278
245 HE1 PHE 40 2HE PHE 40 0.421 -4.116 -3.179
246 HE2 PHE 40 1HE PHE 40 -0.410 -1.134 -0.276
247 HZ PHE 40 HZ PHE 40 -0.809 -2.113 -2.486
248 H SER 41 H SER 41 4.659 -6.184 2.059
249 HA SER 41 HA SER 41 4.716 -5.343 4.827
250 HB2 SER 41 1HB SER 41 5.075 -8.152 3.812
251 HB3 SER 41 2HB SER 41 6.120 -7.626 5.117
252 HG SER 41 HG SER 41 3.395 -8.230 5.149
253 H PHE 42 H PHE 42 7.018 -5.191 5.658
254 HA PHE 42 HA PHE 42 8.631 -3.839 3.888
255 HB2 PHE 42 1HB PHE 42 8.548 -4.695 6.625
256 HB3 PHE 42 2HB PHE 42 10.079 -5.294 6.018
257 HD1 PHE 42 2HD PHE 42 8.044 -2.184 6.224
258 HD2 PHE 42 1HD PHE 42 11.924 -3.876 5.921
259 HE1 PHE 42 2HE PHE 42 9.059 0.089 6.542
260 HE2 PHE 42 1HE PHE 42 12.939 -1.603 6.240
261 HZ PHE 42 HZ PHE 42 11.495 0.352 6.547
262 HA PRO 43 HA PRO 43 10.752 -3.522 3.919
263 HB2 PRO 43 1HB PRO 43 12.404 -2.987 1.809
264 HB3 PRO 43 2HB PRO 43 12.973 -3.650 3.328
265 HG2 PRO 43 1HG PRO 43 12.595 -5.018 0.735
266 HG3 PRO 43 2HG PRO 43 13.541 -5.530 2.118
267 HD2 PRO 43 1HD PRO 43 10.971 -6.532 1.330
268 HD3 PRO 43 2HD PRO 43 11.864 -6.960 2.776
269 H VAL 44 H VAL 44 8.700 -4.823 1.879
270 HA VAL 44 HA VAL 44 8.336 -2.693 0.043
271 HB VAL 44 HB VAL 44 6.191 -4.631 0.832
272 HG11 VAL 44 1HG1 VAL 44 5.980 -4.681 -1.723
273 HG12 VAL 44 2HG1 VAL 44 5.527 -3.170 -0.898
274 HG13 VAL 44 3HG1 VAL 44 7.098 -3.296 -1.726
275 HG21 VAL 44 3HG2 VAL 44 7.609 -6.359 0.628
276 HG22 VAL 44 1HG2 VAL 44 7.619 -5.982 -1.112
277 HG23 VAL 44 2HG2 VAL 44 8.897 -5.337 -0.054
278 H SER 45 H SER 45 7.047 -3.551 3.278
279 HA SER 45 HA SER 45 4.926 -1.861 3.367
280 HB2 SER 45 1HB SER 45 4.944 -3.020 5.323
281 HB3 SER 45 2HB SER 45 6.686 -3.211 5.298
282 HG SER 45 HG SER 45 5.963 -1.923 7.114
283 H GLN 46 H GLN 46 8.298 -1.095 3.082
284 HA GLN 46 HA GLN 46 7.994 1.505 4.261
285 HB2 GLN 46 1HB GLN 46 10.115 -0.113 4.219
286 HB3 GLN 46 2HB GLN 46 10.424 0.666 2.680
287 HG2 GLN 46 1HG GLN 46 9.804 2.833 4.326
288 HG3 GLN 46 2HG GLN 46 10.651 1.762 5.424
289 HE21 GLN 46 1HE2 GLN 46 11.423 4.337 4.267
290 HE22 GLN 46 2HE2 GLN 46 12.935 4.103 3.455
291 H SER 47 H SER 47 7.781 -0.070 1.129
292 HA SER 47 HA SER 47 8.290 2.269 -0.374
293 HB2 SER 47 1HB SER 47 6.652 0.061 -1.557
294 HB3 SER 47 2HB SER 47 8.031 0.908 -2.228
295 HG SER 47 HG SER 47 9.045 -0.927 -1.723
296 H CYS 48 H CYS 48 5.410 0.582 0.950
297 HA CYS 48 HA CYS 48 3.436 1.855 -0.450
298 HB2 CYS 48 1HB CYS 48 2.608 0.181 0.840
299 HB3 CYS 48 2HB CYS 48 3.643 0.550 2.205
300 H ALA 49 H ALA 49 4.596 2.744 2.893
301 HA ALA 49 HA ALA 49 3.361 5.229 2.936
302 HB1 ALA 49 3HB ALA 49 4.015 4.719 5.046
303 HB2 ALA 49 1HB ALA 49 5.381 3.727 4.483
304 HB3 ALA 49 2HB ALA 49 5.550 5.496 4.591
305 H GLY 50 H GLY 50 6.110 4.088 1.146
306 HA2 GLY 50 1HA GLY 50 7.457 6.620 0.939
307 HA3 GLY 50 2HA GLY 50 7.781 5.152 0.038
308 H MET 51 H MET 51 5.529 4.533 -1.343
309 HA MET 51 HA MET 51 5.382 6.750 -3.157
310 HB2 MET 51 1HB MET 51 5.670 4.192 -3.707
311 HB3 MET 51 2HB MET 51 3.953 4.055 -3.382
312 HG2 MET 51 1HG MET 51 4.191 4.390 -5.769
313 HG3 MET 51 2HG MET 51 3.543 5.880 -5.112
314 HE1 MET 51 3HE MET 51 5.110 8.202 -4.838
315 HE2 MET 51 1HE MET 51 5.751 8.405 -6.486
316 HE3 MET 51 2HE MET 51 4.121 7.733 -6.241
317 H ALA 52 H ALA 52 4.012 6.774 -0.421
318 HA ALA 52 HA ALA 52 1.208 6.686 -1.124
319 HB1 ALA 52 3HB ALA 52 0.911 6.462 1.105
320 HB2 ALA 52 1HB ALA 52 2.674 6.234 1.188
321 HB3 ALA 52 2HB ALA 52 1.970 7.844 1.472
322 H ASP 53 H ASP 53 2.505 8.456 -2.818
323 HA ASP 53 HA ASP 53 2.506 10.500 -3.545
324 HB2 ASP 53 1HB ASP 53 -0.013 10.107 -2.782
325 HB3 ASP 53 2HB ASP 53 0.368 11.292 -1.548
326 H SER 54 H SER 54 2.610 13.005 -2.764
327 HA SER 54 HA SER 54 4.351 12.970 -0.450
328 HB2 SER 54 1HB SER 54 4.173 14.539 -2.952
329 HB3 SER 54 2HB SER 54 4.475 15.532 -1.541
330 HG SER 54 HG SER 54 6.246 14.038 -2.894
331 H ASN 55 H ASN 55 2.484 15.768 -1.732
332 HA ASN 55 HA ASN 55 1.209 15.912 0.886
333 HB2 ASN 55 1HB ASN 55 2.838 17.804 -0.324
334 HB3 ASN 55 2HB ASN 55 1.256 18.355 -0.840
335 HD21 ASN 55 1HD2 ASN 55 3.083 19.653 0.939
336 HD22 ASN 55 2HD2 ASN 55 2.307 19.849 2.475
337 H ASP 56 H ASP 56 0.780 15.233 -2.418
338 HA ASP 56 HA ASP 56 -1.657 16.568 -2.857
339 HB2 ASP 56 1HB ASP 56 -0.095 14.365 -4.211
340 HB3 ASP 56 2HB ASP 56 -1.766 14.600 -4.684
341 H CYS 57 H CYS 57 -0.763 14.008 -0.828
342 HA CYS 57 HA CYS 57 -3.091 12.378 -1.263
343 HB2 CYS 57 1HB CYS 57 -0.544 12.088 0.034
344 HB3 CYS 57 2HB CYS 57 -1.817 11.699 1.174
345 HA PRO 58 HA PRO 58 -5.500 14.486 1.693
346 HB2 PRO 58 1HB PRO 58 -7.283 12.550 2.428
347 HB3 PRO 58 2HB PRO 58 -7.435 13.483 0.952
348 HG2 PRO 58 1HG PRO 58 -6.559 10.680 1.291
349 HG3 PRO 58 2HG PRO 58 -7.120 11.487 -0.160
350 HD2 PRO 58 1HD PRO 58 -4.404 10.851 0.510
351 HD3 PRO 58 2HD PRO 58 -4.955 11.760 -0.883
352 H ASN 59 H ASN 59 -3.176 14.225 2.820
353 HA ASN 59 HA ASN 59 -3.475 12.595 5.148
354 HB2 ASN 59 1HB ASN 59 -1.307 14.389 4.005
355 HB3 ASN 59 2HB ASN 59 -1.201 13.901 5.685
356 HD21 ASN 59 1HD2 ASN 59 -1.398 11.577 6.157
357 HD22 ASN 59 2HD2 ASN 59 -0.690 10.432 5.067
358 H ALA 60 H ALA 60 -2.849 13.752 7.366
359 HA ALA 60 HA ALA 60 -3.571 15.116 8.962
360 HB1 ALA 60 3HB ALA 60 -2.900 17.209 6.852
361 HB2 ALA 60 1HB ALA 60 -3.043 17.504 8.602
362 HB3 ALA 60 2HB ALA 60 -1.747 16.455 7.979
Start of MODEL 13
1 H1 ASP 1 H ASP 1 10.454 -7.011 -6.328
2 HA ASP 1 HA ASP 1 8.193 -5.866 -7.675
3 HB2 ASP 1 1HB ASP 1 8.776 -8.679 -6.638
4 HB3 ASP 1 2HB ASP 1 7.311 -8.250 -7.498
5 H ILE 2 H ILE 2 5.976 -6.016 -6.712
6 HA ILE 2 HA ILE 2 6.088 -6.006 -3.778
7 HB ILE 2 HB ILE 2 4.595 -4.297 -3.719
8 HG12 ILE 2 1HG1 ILE 2 3.611 -5.092 -6.475
9 HG13 ILE 2 2HG1 ILE 2 2.807 -5.407 -4.950
10 HG21 ILE 2 1HG2 ILE 2 5.294 -2.573 -5.219
11 HG22 ILE 2 2HG2 ILE 2 6.702 -3.611 -4.887
12 HG23 ILE 2 3HG2 ILE 2 5.829 -3.762 -6.431
13 HD11 ILE 2 3HD1 ILE 2 3.315 -2.632 -4.898
14 HD12 ILE 2 1HD1 ILE 2 2.805 -2.972 -6.569
15 HD13 ILE 2 2HD1 ILE 2 1.749 -3.419 -5.207
16 H GLU 3 H GLU 3 4.502 -7.269 -6.709
17 HA GLU 3 HA GLU 3 2.294 -8.387 -5.568
18 HB2 GLU 3 1HB GLU 3 2.726 -8.291 -8.005
19 HB3 GLU 3 2HB GLU 3 4.013 -9.469 -7.844
20 HG2 GLU 3 1HG GLU 3 1.389 -10.300 -6.683
21 HG3 GLU 3 2HG GLU 3 1.400 -10.107 -8.424
22 H ASP 4 H ASP 4 5.691 -9.343 -5.351
23 HA ASP 4 HA ASP 4 5.171 -11.988 -4.546
24 HB2 ASP 4 1HB ASP 4 7.602 -10.190 -4.107
25 HB3 ASP 4 2HB ASP 4 7.582 -11.913 -3.789
26 H PHE 5 H PHE 5 4.755 -8.911 -3.086
27 HA PHE 5 HA PHE 5 4.895 -10.107 -0.407
28 HB2 PHE 5 1HB PHE 5 5.672 -7.438 -1.626
29 HB3 PHE 5 2HB PHE 5 5.030 -7.396 0.004
30 HD1 PHE 5 1HD PHE 5 7.817 -8.515 -2.091
31 HD2 PHE 5 2HD PHE 5 6.283 -8.317 1.861
32 HE1 PHE 5 1HE PHE 5 10.082 -9.099 -1.182
33 HE2 PHE 5 2HE PHE 5 8.548 -8.902 2.770
34 HZ PHE 5 HZ PHE 5 10.421 -9.286 1.237
35 H TYR 6 H TYR 6 2.690 -9.804 -2.605
36 HA TYR 6 HA TYR 6 0.847 -7.948 -1.441
37 HB2 TYR 6 1HB TYR 6 1.059 -8.689 -3.898
38 HB3 TYR 6 2HB TYR 6 0.559 -10.299 -3.416
39 HD1 TYR 6 2HD TYR 6 -1.090 -7.632 -1.623
40 HD2 TYR 6 1HD TYR 6 -1.229 -9.985 -5.193
41 HE1 TYR 6 2HE TYR 6 -3.524 -6.981 -1.966
42 HE2 TYR 6 1HE TYR 6 -3.662 -9.327 -5.524
43 HH TYR 6 HH TYR 6 -5.039 -6.929 -4.460
44 H THR 7 H THR 7 -0.454 -8.297 0.284
45 HA THR 7 HA THR 7 -0.924 -11.103 1.046
46 HB THR 7 HB THR 7 -0.896 -10.340 3.315
47 HG1 THR 7 1HG THR 7 -1.055 -7.944 3.632
48 HG21 THR 7 3HG2 THR 7 0.945 -8.229 2.140
49 HG22 THR 7 1HG2 THR 7 1.177 -9.223 3.599
50 HG23 THR 7 2HG2 THR 7 1.372 -9.951 1.986
51 H SER 8 H SER 8 -2.705 -11.497 -0.302
52 HA SER 8 HA SER 8 -4.870 -9.677 -0.292
53 HB2 SER 8 1HB SER 8 -4.367 -11.136 -2.231
54 HB3 SER 8 2HB SER 8 -4.673 -12.563 -1.262
55 HG SER 8 HG SER 8 -6.799 -10.770 -1.162
56 H GLU 9 H GLU 9 -3.688 -11.630 2.105
57 HA GLU 9 HA GLU 9 -6.103 -12.873 2.922
58 HB2 GLU 9 1HB GLU 9 -3.368 -13.151 3.519
59 HB3 GLU 9 2HB GLU 9 -4.064 -12.558 5.014
60 HG2 GLU 9 1HG GLU 9 -5.834 -14.368 4.849
61 HG3 GLU 9 2HG GLU 9 -5.012 -14.995 3.434
62 H THR 10 H THR 10 -4.234 -9.922 3.793
63 HA THR 10 HA THR 10 -6.439 -9.158 5.586
64 HB THR 10 HB THR 10 -4.347 -9.251 6.788
65 HG1 THR 10 1HG THR 10 -3.988 -6.816 6.950
66 HG21 THR 10 3HG2 THR 10 -2.520 -7.532 5.750
67 HG22 THR 10 1HG2 THR 10 -2.506 -9.266 5.348
68 HG23 THR 10 2HG2 THR 10 -3.249 -8.099 4.228
69 H CYS 11 H CYS 11 -4.752 -8.441 2.594
70 HA CYS 11 HA CYS 11 -5.464 -5.750 2.401
71 HB2 CYS 11 1HB CYS 11 -3.749 -6.920 1.026
72 HB3 CYS 11 2HB CYS 11 -5.035 -7.732 0.156
73 HA PRO 12 HA PRO 12 -9.731 -6.262 1.611
74 HB2 PRO 12 1HB PRO 12 -10.350 -3.710 0.855
75 HB3 PRO 12 2HB PRO 12 -10.220 -4.209 2.530
76 HG2 PRO 12 1HG PRO 12 -8.324 -2.614 0.918
77 HG3 PRO 12 2HG PRO 12 -8.429 -2.761 2.661
78 HD2 PRO 12 1HD PRO 12 -6.511 -4.027 0.944
79 HD3 PRO 12 2HD PRO 12 -6.689 -4.265 2.671
80 H TYR 13 H TYR 13 -7.413 -5.945 -0.665
81 HA TYR 13 HA TYR 13 -9.433 -6.265 -2.782
82 HB2 TYR 13 1HB TYR 13 -6.610 -5.025 -2.747
83 HB3 TYR 13 2HB TYR 13 -7.549 -5.235 -4.212
84 HD1 TYR 13 2HD TYR 13 -9.692 -3.934 -4.510
85 HD2 TYR 13 1HD TYR 13 -6.978 -3.164 -1.293
86 HE1 TYR 13 2HE TYR 13 -10.763 -1.658 -4.141
87 HE2 TYR 13 1HE TYR 13 -8.058 -0.890 -0.936
88 HH TYR 13 HH TYR 13 -11.020 -0.058 -2.365
89 H LYS 14 H LYS 14 -8.964 -7.812 -4.438
90 HA LYS 14 HA LYS 14 -6.626 -9.490 -3.942
91 HB2 LYS 14 1HB LYS 14 -8.220 -11.485 -4.383
92 HB3 LYS 14 2HB LYS 14 -8.145 -10.787 -2.778
93 HG2 LYS 14 1HG LYS 14 -10.487 -11.063 -3.320
94 HG3 LYS 14 2HG LYS 14 -10.149 -9.344 -3.370
95 HD2 LYS 14 1HD LYS 14 -9.720 -10.742 -5.963
96 HD3 LYS 14 2HD LYS 14 -11.379 -10.775 -5.399
97 HE2 LYS 14 1HE LYS 14 -10.841 -8.155 -4.916
98 HE3 LYS 14 2HE LYS 14 -9.695 -8.422 -6.215
99 HZ1 LYS 14 3HZ LYS 14 -11.604 -7.872 -7.311
100 HZ2 LYS 14 1HZ LYS 14 -11.699 -9.502 -7.357
101 HZ3 LYS 14 2HZ LYS 14 -12.596 -8.662 -6.282
102 H ASN 15 H ASN 15 -7.261 -7.353 -5.889
103 HA ASN 15 HA ASN 15 -7.237 -9.044 -8.265
104 HB2 ASN 15 1HB ASN 15 -8.618 -6.399 -7.719
105 HB3 ASN 15 2HB ASN 15 -8.074 -6.733 -9.351
106 HD21 ASN 15 1HD2 ASN 15 -10.628 -6.404 -9.176
107 HD22 ASN 15 2HD2 ASN 15 -11.540 -7.875 -9.232
108 H ASP 16 H ASP 16 -4.809 -8.986 -7.759
109 HA ASP 16 HA ASP 16 -2.843 -8.318 -8.451
110 HB2 ASP 16 1HB ASP 16 -4.512 -6.676 -10.036
111 HB3 ASP 16 2HB ASP 16 -3.403 -5.550 -9.280
112 H SER 17 H SER 17 -1.297 -7.587 -6.962
113 HA SER 17 HA SER 17 -2.108 -6.199 -4.713
114 HB2 SER 17 1HB SER 17 0.023 -7.735 -5.300
115 HB3 SER 17 2HB SER 17 0.787 -6.176 -5.536
116 HG SER 17 HG SER 17 1.089 -6.356 -3.401
117 H GLN 18 H GLN 18 -1.151 -5.129 -7.897
118 HA GLN 18 HA GLN 18 -0.139 -2.622 -7.133
119 HB2 GLN 18 1HB GLN 18 0.039 -4.000 -9.399
120 HB3 GLN 18 2HB GLN 18 -1.414 -3.118 -9.827
121 HG2 GLN 18 1HG GLN 18 -0.294 -0.968 -9.498
122 HG3 GLN 18 2HG GLN 18 1.119 -1.749 -8.815
123 HE21 GLN 18 1HE2 GLN 18 1.751 -0.170 -10.719
124 HE22 GLN 18 2HE2 GLN 18 2.079 -0.947 -12.232
125 H LEU 19 H LEU 19 -3.358 -3.981 -7.519
126 HA LEU 19 HA LEU 19 -4.723 -1.569 -8.030
127 HB2 LEU 19 1HB LEU 19 -5.763 -3.605 -8.592
128 HB3 LEU 19 2HB LEU 19 -5.529 -4.274 -6.989
129 HG LEU 19 HG LEU 19 -7.142 -2.586 -6.093
130 HD11 LEU 19 1HD1 LEU 19 -7.420 -0.780 -7.400
131 HD12 LEU 19 2HD1 LEU 19 -7.037 -1.666 -8.895
132 HD13 LEU 19 3HD1 LEU 19 -8.668 -1.774 -8.189
133 HD21 LEU 19 3HD2 LEU 19 -9.177 -3.672 -7.139
134 HD22 LEU 19 1HD2 LEU 19 -8.051 -4.552 -8.200
135 HD23 LEU 19 2HD2 LEU 19 -7.970 -4.774 -6.436
136 H ALA 20 H ALA 20 -4.215 -3.487 -4.985
137 HA ALA 20 HA ALA 20 -5.421 -1.569 -3.334
138 HB1 ALA 20 3HB ALA 20 -4.908 -3.052 -1.665
139 HB2 ALA 20 1HB ALA 20 -4.616 -4.134 -3.048
140 HB3 ALA 20 2HB ALA 20 -3.249 -3.312 -2.257
141 H TRP 21 H TRP 21 -2.219 -1.850 -4.812
142 HA TRP 21 HA TRP 21 -0.969 -0.014 -3.014
143 HB2 TRP 21 1HB TRP 21 0.503 -1.519 -3.965
144 HB3 TRP 21 2HB TRP 21 -0.215 -1.398 -5.559
145 HD1 TRP 21 HD TRP 21 0.406 0.959 -6.960
146 HE1 TRP 21 1HE TRP 21 2.555 2.490 -6.979
147 HE3 TRP 21 3HE TRP 21 2.276 -0.711 -2.536
148 HZ2 TRP 21 2HZ TRP 21 4.748 2.822 -5.182
149 HZ3 TRP 21 3HZ TRP 21 4.426 0.269 -1.740
150 HH2 TRP 21 HH TRP 21 5.653 1.977 -2.986
151 H ASP 22 H ASP 22 -2.529 0.056 -6.268
152 HA ASP 22 HA ASP 22 -1.865 2.682 -6.840
153 HB2 ASP 22 1HB ASP 22 -3.638 0.589 -7.881
154 HB3 ASP 22 2HB ASP 22 -4.397 2.163 -8.014
155 H THR 23 H THR 23 -4.009 1.272 -4.517
156 HA THR 23 HA THR 23 -5.897 3.466 -4.484
157 HB THR 23 HB THR 23 -5.628 0.725 -3.415
158 HG1 THR 23 1HG THR 23 -7.330 1.380 -4.828
159 HG21 THR 23 3HG2 THR 23 -7.067 1.139 -1.429
160 HG22 THR 23 1HG2 THR 23 -5.500 1.959 -1.226
161 HG23 THR 23 2HG2 THR 23 -6.941 2.895 -1.694
162 H CYS 24 H CYS 24 -3.292 2.164 -2.330
163 HA CYS 24 HA CYS 24 -3.537 4.529 -0.699
164 HB2 CYS 24 1HB CYS 24 -3.065 2.921 0.777
165 HB3 CYS 24 2HB CYS 24 -2.359 1.864 -0.430
166 H SER 25 H SER 25 -0.692 2.789 -2.165
167 HA SER 25 HA SER 25 0.703 5.253 -2.363
168 HB2 SER 25 1HB SER 25 2.163 3.383 -3.826
169 HB3 SER 25 2HB SER 25 2.366 3.736 -2.121
170 HG SER 25 HG SER 25 0.577 1.731 -3.210
171 H GLY 26 H GLY 26 -1.515 5.782 -3.787
172 HA2 GLY 26 1HA GLY 26 -0.676 5.489 -6.610
173 HA3 GLY 26 2HA GLY 26 -2.346 5.381 -6.091
174 H GLY 27 H GLY 27 -0.832 7.595 -4.035
175 HA2 GLY 27 1HA GLY 27 -0.332 9.877 -4.355
176 HA3 GLY 27 2HA GLY 27 -1.270 9.882 -5.834
177 H THR 28 H THR 28 -3.545 8.317 -4.692
178 HA THR 28 HA THR 28 -4.543 10.177 -2.658
179 HB THR 28 HB THR 28 -6.683 10.326 -4.012
180 HG1 THR 28 1HG THR 28 -6.434 9.494 -6.224
181 HG21 THR 28 3HG2 THR 28 -4.061 11.241 -5.279
182 HG22 THR 28 1HG2 THR 28 -5.635 11.602 -6.030
183 HG23 THR 28 2HG2 THR 28 -5.258 12.227 -4.406
184 H GLY 29 H GLY 29 -7.172 9.130 -2.564
185 HA2 GLY 29 1HA GLY 29 -8.364 7.263 -1.988
186 HA3 GLY 29 2HA GLY 29 -6.950 6.259 -2.235
187 H ASN 30 H ASN 30 -6.656 5.163 -0.323
188 HA ASN 30 HA ASN 30 -6.872 6.732 2.109
189 HB2 ASN 30 1HB ASN 30 -6.972 4.523 3.263
190 HB3 ASN 30 2HB ASN 30 -8.195 4.623 2.012
191 HD21 ASN 30 1HD2 ASN 30 -8.269 2.359 1.956
192 HD22 ASN 30 2HD2 ASN 30 -7.079 1.412 1.126
193 H CYS 31 H CYS 31 -4.576 7.158 0.431
194 HA CYS 31 HA CYS 31 -2.430 5.497 0.923
195 HB2 CYS 31 1HB CYS 31 -1.155 7.064 -0.115
196 HB3 CYS 31 2HB CYS 31 -2.744 7.544 -0.675
197 H GLY 32 H GLY 32 -1.076 5.218 2.699
198 HA2 GLY 32 1HA GLY 32 -0.641 7.190 4.676
199 HA3 GLY 32 2HA GLY 32 -1.860 6.062 5.235
200 H THR 33 H THR 33 0.150 5.854 6.836
201 HA THR 33 HA THR 33 2.206 4.094 5.792
202 HB THR 33 HB THR 33 1.669 5.247 8.581
203 HG1 THR 33 1HG THR 33 3.489 6.648 7.701
204 HG21 THR 33 3HG2 THR 33 4.157 4.867 8.836
205 HG22 THR 33 1HG2 THR 33 3.245 3.344 8.701
206 HG23 THR 33 2HG2 THR 33 4.142 3.972 7.297
207 H VAL 34 H VAL 34 -0.979 3.723 6.813
208 HA VAL 34 HA VAL 34 -0.559 1.296 8.297
209 HB VAL 34 HB VAL 34 -3.037 2.641 7.201
210 HG11 VAL 34 1HG1 VAL 34 -4.341 1.152 8.569
211 HG12 VAL 34 2HG1 VAL 34 -3.276 0.167 7.537
212 HG13 VAL 34 3HG1 VAL 34 -2.874 0.412 9.254
213 HG21 VAL 34 3HG2 VAL 34 -3.287 3.722 9.217
214 HG22 VAL 34 1HG2 VAL 34 -2.349 2.505 10.115
215 HG23 VAL 34 2HG2 VAL 34 -1.511 3.695 9.091
216 H CYS 35 H CYS 35 -1.306 2.323 4.958
217 HA CYS 35 HA CYS 35 -2.158 -0.155 4.021
218 HB2 CYS 35 1HB CYS 35 -2.512 1.037 2.200
219 HB3 CYS 35 2HB CYS 35 -1.745 2.410 2.974
220 H CYS 36 H CYS 36 0.909 0.997 5.149
221 HA CYS 36 HA CYS 36 2.696 -0.308 3.528
222 HB2 CYS 36 1HB CYS 36 2.880 0.134 6.516
223 HB3 CYS 36 2HB CYS 36 4.219 -0.274 5.462
224 H GLY 37 H GLY 37 1.868 -1.487 6.862
225 HA2 GLY 37 1HA GLY 37 2.299 -4.228 5.993
226 HA3 GLY 37 2HA GLY 37 2.059 -3.645 7.628
227 H GLN 38 H GLN 38 0.096 -3.257 4.591
228 HA GLN 38 HA GLN 38 -2.092 -4.495 6.075
229 HB2 GLN 38 1HB GLN 38 -2.061 -1.878 5.349
230 HB3 GLN 38 2HB GLN 38 -2.718 -2.558 3.874
231 HG2 GLN 38 1HG GLN 38 -4.402 -3.830 5.374
232 HG3 GLN 38 2HG GLN 38 -3.852 -2.813 6.691
233 HE21 GLN 38 1HE2 GLN 38 -6.421 -3.084 5.148
234 HE22 GLN 38 2HE2 GLN 38 -6.852 -1.477 4.666
235 H CYS 39 H CYS 39 -1.002 -3.621 2.711
236 HA CYS 39 HA CYS 39 -2.102 -6.200 1.863
237 HB2 CYS 39 1HB CYS 39 -1.629 -3.717 0.200
238 HB3 CYS 39 2HB CYS 39 -2.276 -5.239 -0.382
239 H PHE 40 H PHE 40 0.717 -4.325 2.504
240 HA PHE 40 HA PHE 40 2.324 -6.286 1.046
241 HB2 PHE 40 1HB PHE 40 3.190 -3.388 1.354
242 HB3 PHE 40 2HB PHE 40 3.635 -4.522 0.094
243 HD1 PHE 40 2HD PHE 40 2.110 -4.948 -1.790
244 HD2 PHE 40 1HD PHE 40 1.198 -2.049 1.171
245 HE1 PHE 40 2HE PHE 40 0.383 -3.941 -3.308
246 HE2 PHE 40 1HE PHE 40 -0.530 -1.042 -0.346
247 HZ PHE 40 HZ PHE 40 -0.917 -2.001 -2.568
248 H SER 41 H SER 41 4.769 -5.989 1.814
249 HA SER 41 HA SER 41 4.808 -5.233 4.606
250 HB2 SER 41 1HB SER 41 5.203 -8.000 3.512
251 HB3 SER 41 2HB SER 41 6.292 -7.496 4.789
252 HG SER 41 HG SER 41 4.621 -8.275 5.964
253 H PHE 42 H PHE 42 7.092 -5.002 5.435
254 HA PHE 42 HA PHE 42 8.665 -3.569 3.699
255 HB2 PHE 42 1HB PHE 42 8.613 -4.499 6.414
256 HB3 PHE 42 2HB PHE 42 10.164 -5.025 5.791
257 HD1 PHE 42 2HD PHE 42 8.019 -2.012 6.153
258 HD2 PHE 42 1HD PHE 42 11.952 -3.525 5.658
259 HE1 PHE 42 2HE PHE 42 8.951 0.287 6.531
260 HE2 PHE 42 1HE PHE 42 12.884 -1.226 6.036
261 HZ PHE 42 HZ PHE 42 11.373 0.653 6.468
262 HA PRO 43 HA PRO 43 10.767 -3.180 3.721
263 HB2 PRO 43 1HB PRO 43 12.386 -2.546 1.613
264 HB3 PRO 43 2HB PRO 43 12.988 -3.219 3.115
265 HG2 PRO 43 1HG PRO 43 12.642 -4.547 0.497
266 HG3 PRO 43 2HG PRO 43 13.614 -5.053 1.865
267 HD2 PRO 43 1HD PRO 43 11.076 -6.130 1.071
268 HD3 PRO 43 2HD PRO 43 11.993 -6.554 2.503
269 H VAL 44 H VAL 44 8.754 -4.515 1.661
270 HA VAL 44 HA VAL 44 8.301 -2.369 -0.133
271 HB VAL 44 HB VAL 44 6.233 -4.394 0.649
272 HG11 VAL 44 1HG1 VAL 44 5.998 -4.399 -1.912
273 HG12 VAL 44 2HG1 VAL 44 5.474 -2.940 -1.038
274 HG13 VAL 44 3HG1 VAL 44 7.040 -2.956 -1.884
275 HG21 VAL 44 3HG2 VAL 44 7.683 -6.078 0.361
276 HG22 VAL 44 1HG2 VAL 44 7.704 -5.626 -1.361
277 HG23 VAL 44 2HG2 VAL 44 8.949 -4.990 -0.258
278 H SER 45 H SER 45 7.069 -3.315 3.099
279 HA SER 45 HA SER 45 4.895 -1.699 3.234
280 HB2 SER 45 1HB SER 45 4.978 -2.887 5.172
281 HB3 SER 45 2HB SER 45 6.726 -3.005 5.131
282 HG SER 45 HG SER 45 6.120 -1.772 6.957
283 H GLN 46 H GLN 46 8.229 -0.810 2.907
284 HA GLN 46 HA GLN 46 7.860 1.759 4.134
285 HB2 GLN 46 1HB GLN 46 10.019 0.683 4.432
286 HB3 GLN 46 2HB GLN 46 10.211 0.452 2.705
287 HG2 GLN 46 1HG GLN 46 11.515 2.370 3.064
288 HG3 GLN 46 2HG GLN 46 9.992 3.077 2.564
289 HE21 GLN 46 1HE2 GLN 46 11.098 4.894 3.729
290 HE22 GLN 46 2HE2 GLN 46 10.766 5.098 5.417
291 H SER 47 H SER 47 7.802 0.232 0.937
292 HA SER 47 HA SER 47 8.141 2.609 -0.515
293 HB2 SER 47 1HB SER 47 8.369 0.106 -1.260
294 HB3 SER 47 2HB SER 47 6.638 0.173 -1.525
295 HG SER 47 HG SER 47 7.998 2.357 -2.629
296 H CYS 48 H CYS 48 5.342 0.820 0.839
297 HA CYS 48 HA CYS 48 3.304 2.042 -0.520
298 HB2 CYS 48 1HB CYS 48 2.583 0.306 0.768
299 HB3 CYS 48 2HB CYS 48 3.586 0.740 2.137
300 H ALA 49 H ALA 49 4.447 2.919 2.830
301 HA ALA 49 HA ALA 49 3.148 5.368 2.907
302 HB1 ALA 49 3HB ALA 49 5.362 5.656 4.548
303 HB2 ALA 49 1HB ALA 49 3.826 4.885 5.011
304 HB3 ALA 49 2HB ALA 49 5.185 3.888 4.438
305 H GLY 50 H GLY 50 5.913 4.331 1.085
306 HA2 GLY 50 1HA GLY 50 7.185 6.906 0.909
307 HA3 GLY 50 2HA GLY 50 7.555 5.459 -0.007
308 H MET 51 H MET 51 5.324 4.782 -1.393
309 HA MET 51 HA MET 51 5.112 7.001 -3.193
310 HB2 MET 51 1HB MET 51 5.497 4.594 -3.925
311 HB3 MET 51 2HB MET 51 3.911 4.178 -3.305
312 HG2 MET 51 1HG MET 51 2.985 4.811 -5.278
313 HG3 MET 51 2HG MET 51 3.528 6.454 -5.000
314 HE1 MET 51 3HE MET 51 4.439 7.550 -6.516
315 HE2 MET 51 1HE MET 51 5.750 7.149 -7.650
316 HE3 MET 51 2HE MET 51 4.074 6.683 -8.027
317 H ALA 52 H ALA 52 3.702 6.766 -0.399
318 HA ALA 52 HA ALA 52 0.921 6.856 -1.234
319 HB1 ALA 52 3HB ALA 52 1.153 5.664 0.760
320 HB2 ALA 52 1HB ALA 52 2.426 6.743 1.379
321 HB3 ALA 52 2HB ALA 52 0.731 7.288 1.354
322 H ASP 53 H ASP 53 2.989 8.883 -2.128
323 HA ASP 53 HA ASP 53 3.118 11.022 -2.450
324 HB2 ASP 53 1HB ASP 53 0.279 10.610 -1.755
325 HB3 ASP 53 2HB ASP 53 0.816 12.233 -1.373
326 H SER 54 H SER 54 3.563 13.118 -1.292
327 HA SER 54 HA SER 54 4.024 12.597 1.514
328 HB2 SER 54 1HB SER 54 5.362 14.127 -0.594
329 HB3 SER 54 2HB SER 54 5.117 15.114 0.833
330 HG SER 54 HG SER 54 6.401 12.517 0.753
331 H ASN 55 H ASN 55 3.388 15.711 -0.230
332 HA ASN 55 HA ASN 55 1.393 16.253 1.816
333 HB2 ASN 55 1HB ASN 55 3.561 17.779 1.020
334 HB3 ASN 55 2HB ASN 55 2.304 18.457 0.005
335 HD21 ASN 55 1HD2 ASN 55 1.995 20.367 0.957
336 HD22 ASN 55 2HD2 ASN 55 1.440 20.612 2.580
337 H ASP 56 H ASP 56 1.794 15.255 -1.405
338 HA ASP 56 HA ASP 56 -0.177 16.834 -2.641
339 HB2 ASP 56 1HB ASP 56 1.773 15.045 -3.476
340 HB3 ASP 56 2HB ASP 56 0.316 14.102 -3.720
341 H CYS 57 H CYS 57 -0.135 14.051 -0.516
342 HA CYS 57 HA CYS 57 -2.641 12.989 -1.403
343 HB2 CYS 57 1HB CYS 57 -0.479 12.124 0.237
344 HB3 CYS 57 2HB CYS 57 -1.936 12.071 1.210
345 HA PRO 58 HA PRO 58 -5.167 15.176 1.407
346 HB2 PRO 58 1HB PRO 58 -6.777 13.327 2.615
347 HB3 PRO 58 2HB PRO 58 -7.041 13.907 0.983
348 HG2 PRO 58 1HG PRO 58 -5.947 11.309 1.873
349 HG3 PRO 58 2HG PRO 58 -6.607 11.744 0.309
350 HD2 PRO 58 1HD PRO 58 -3.834 11.454 0.980
351 HD3 PRO 58 2HD PRO 58 -4.490 12.001 -0.550
352 H ASN 59 H ASN 59 -2.791 15.305 2.459
353 HA ASN 59 HA ASN 59 -3.332 14.652 5.250
354 HB2 ASN 59 1HB ASN 59 -0.783 14.548 3.602
355 HB3 ASN 59 2HB ASN 59 -0.662 14.851 5.324
356 HD21 ASN 59 1HD2 ASN 59 -2.436 12.735 3.069
357 HD22 ASN 59 2HD2 ASN 59 -2.256 11.262 3.963
358 H ALA 60 H ALA 60 -1.469 16.178 6.567
359 HA ALA 60 HA ALA 60 -2.449 18.770 6.379
360 HB1 ALA 60 3HB ALA 60 -1.555 18.289 8.449
361 HB2 ALA 60 1HB ALA 60 -0.193 17.367 7.769
362 HB3 ALA 60 2HB ALA 60 -0.171 19.147 7.732
Start of MODEL 14
1 H1 ASP 1 H ASP 1 8.984 -4.549 -6.188
2 HA ASP 1 HA ASP 1 8.028 -6.772 -7.393
3 HB2 ASP 1 1HB ASP 1 10.574 -7.403 -6.540
4 HB3 ASP 1 2HB ASP 1 9.644 -7.863 -5.128
5 H ILE 2 H ILE 2 6.084 -5.947 -6.439
6 HA ILE 2 HA ILE 2 6.027 -5.936 -3.504
7 HB ILE 2 HB ILE 2 4.622 -4.168 -3.530
8 HG12 ILE 2 1HG1 ILE 2 3.653 -4.993 -6.283
9 HG13 ILE 2 2HG1 ILE 2 2.823 -5.269 -4.764
10 HG21 ILE 2 1HG2 ILE 2 5.539 -2.503 -4.834
11 HG22 ILE 2 2HG2 ILE 2 6.814 -3.744 -4.888
12 HG23 ILE 2 3HG2 ILE 2 5.698 -3.553 -6.262
13 HD11 ILE 2 3HD1 ILE 2 2.054 -3.227 -6.126
14 HD12 ILE 2 1HD1 ILE 2 2.439 -2.923 -4.415
15 HD13 ILE 2 2HD1 ILE 2 3.605 -2.473 -5.682
16 H GLU 3 H GLU 3 4.512 -7.110 -6.524
17 HA GLU 3 HA GLU 3 2.253 -8.204 -5.456
18 HB2 GLU 3 1HB GLU 3 2.352 -9.777 -7.424
19 HB3 GLU 3 2HB GLU 3 2.576 -8.093 -7.851
20 HG2 GLU 3 1HG GLU 3 4.910 -8.353 -8.212
21 HG3 GLU 3 2HG GLU 3 4.998 -9.814 -7.249
22 H ASP 4 H ASP 4 5.625 -9.271 -5.247
23 HA ASP 4 HA ASP 4 5.011 -11.914 -4.508
24 HB2 ASP 4 1HB ASP 4 7.494 -10.188 -4.088
25 HB3 ASP 4 2HB ASP 4 7.434 -11.895 -3.695
26 H PHE 5 H PHE 5 4.807 -8.831 -2.961
27 HA PHE 5 HA PHE 5 4.849 -10.112 -0.318
28 HB2 PHE 5 1HB PHE 5 5.737 -7.436 -1.456
29 HB3 PHE 5 2HB PHE 5 5.141 -7.444 0.192
30 HD1 PHE 5 1HD PHE 5 6.382 -8.573 1.960
31 HD2 PHE 5 2HD PHE 5 7.836 -8.518 -2.026
32 HE1 PHE 5 1HE PHE 5 8.642 -9.300 2.775
33 HE2 PHE 5 2HE PHE 5 10.096 -9.245 -1.212
34 HZ PHE 5 HZ PHE 5 10.472 -9.627 1.179
35 H TYR 6 H TYR 6 2.664 -9.640 -2.504
36 HA TYR 6 HA TYR 6 0.920 -7.719 -1.292
37 HB2 TYR 6 1HB TYR 6 1.111 -8.429 -3.770
38 HB3 TYR 6 2HB TYR 6 0.485 -10.002 -3.318
39 HD1 TYR 6 2HD TYR 6 -0.798 -6.906 -1.775
40 HD2 TYR 6 1HD TYR 6 -1.426 -9.860 -4.806
41 HE1 TYR 6 2HE TYR 6 -3.173 -6.063 -2.116
42 HE2 TYR 6 1HE TYR 6 -3.798 -9.007 -5.136
43 HH TYR 6 HH TYR 6 -5.490 -7.670 -3.377
44 H THR 7 H THR 7 -0.518 -8.036 0.336
45 HA THR 7 HA THR 7 -1.041 -10.832 1.101
46 HB THR 7 HB THR 7 -1.295 -9.931 3.380
47 HG1 THR 7 1HG THR 7 -2.233 -7.871 2.475
48 HG21 THR 7 3HG2 THR 7 1.037 -8.267 2.461
49 HG22 THR 7 1HG2 THR 7 0.935 -9.413 3.819
50 HG23 THR 7 2HG2 THR 7 1.138 -10.018 2.157
51 H SER 8 H SER 8 -2.727 -11.109 -0.456
52 HA SER 8 HA SER 8 -4.880 -9.313 -0.517
53 HB2 SER 8 1HB SER 8 -4.250 -10.864 -2.383
54 HB3 SER 8 2HB SER 8 -4.753 -12.229 -1.407
55 HG SER 8 HG SER 8 -6.356 -11.312 -3.010
56 H GLU 9 H GLU 9 -3.845 -11.388 1.904
57 HA GLU 9 HA GLU 9 -6.335 -12.508 2.634
58 HB2 GLU 9 1HB GLU 9 -3.638 -12.885 3.340
59 HB3 GLU 9 2HB GLU 9 -4.373 -12.273 4.808
60 HG2 GLU 9 1HG GLU 9 -6.052 -14.297 3.450
61 HG3 GLU 9 2HG GLU 9 -4.478 -14.920 3.905
62 H THR 10 H THR 10 -4.295 -9.766 3.853
63 HA THR 10 HA THR 10 -6.549 -8.904 5.510
64 HB THR 10 HB THR 10 -4.512 -8.976 6.754
65 HG1 THR 10 1HG THR 10 -4.849 -6.850 7.259
66 HG21 THR 10 3HG2 THR 10 -2.539 -7.483 5.674
67 HG22 THR 10 1HG2 THR 10 -2.671 -9.223 5.322
68 HG23 THR 10 2HG2 THR 10 -3.293 -8.029 4.157
69 H CYS 11 H CYS 11 -4.840 -8.180 2.525
70 HA CYS 11 HA CYS 11 -5.528 -5.484 2.346
71 HB2 CYS 11 1HB CYS 11 -3.834 -6.723 0.964
72 HB3 CYS 11 2HB CYS 11 -5.159 -7.425 0.058
73 HA PRO 12 HA PRO 12 -9.801 -5.943 1.553
74 HB2 PRO 12 1HB PRO 12 -10.391 -3.379 0.815
75 HB3 PRO 12 2HB PRO 12 -10.267 -3.891 2.487
76 HG2 PRO 12 1HG PRO 12 -8.352 -2.306 0.886
77 HG3 PRO 12 2HG PRO 12 -8.459 -2.465 2.628
78 HD2 PRO 12 1HD PRO 12 -6.555 -3.740 0.903
79 HD3 PRO 12 2HD PRO 12 -6.737 -3.988 2.628
80 H TYR 13 H TYR 13 -7.474 -5.480 -0.745
81 HA TYR 13 HA TYR 13 -9.499 -5.814 -2.856
82 HB2 TYR 13 1HB TYR 13 -6.705 -4.529 -2.715
83 HB3 TYR 13 2HB TYR 13 -7.497 -4.840 -4.247
84 HD1 TYR 13 1HD TYR 13 -9.855 -3.765 -4.586
85 HD2 TYR 13 2HD TYR 13 -7.068 -2.502 -1.596
86 HE1 TYR 13 1HE TYR 13 -11.038 -1.521 -4.421
87 HE2 TYR 13 2HE TYR 13 -8.261 -0.262 -1.441
88 HH TYR 13 HH TYR 13 -9.658 1.123 -2.730
89 H LYS 14 H LYS 14 -9.096 -7.379 -4.488
90 HA LYS 14 HA LYS 14 -6.748 -9.064 -4.058
91 HB2 LYS 14 1HB LYS 14 -8.390 -11.043 -4.483
92 HB3 LYS 14 2HB LYS 14 -8.218 -10.380 -2.871
93 HG2 LYS 14 1HG LYS 14 -10.586 -10.587 -3.266
94 HG3 LYS 14 2HG LYS 14 -10.221 -8.876 -3.356
95 HD2 LYS 14 1HD LYS 14 -9.968 -10.302 -5.954
96 HD3 LYS 14 2HD LYS 14 -11.591 -10.310 -5.294
97 HE2 LYS 14 1HE LYS 14 -10.996 -7.694 -4.867
98 HE3 LYS 14 2HE LYS 14 -9.929 -7.984 -6.227
99 HZ1 LYS 14 3HZ LYS 14 -11.667 -7.926 -7.550
100 HZ2 LYS 14 1HZ LYS 14 -12.410 -9.142 -6.751
101 HZ3 LYS 14 2HZ LYS 14 -12.652 -7.594 -6.290
102 H ASN 15 H ASN 15 -7.242 -6.955 -5.979
103 HA ASN 15 HA ASN 15 -7.419 -8.626 -8.361
104 HB2 ASN 15 1HB ASN 15 -8.712 -6.000 -7.696
105 HB3 ASN 15 2HB ASN 15 -8.038 -6.111 -9.310
106 HD21 ASN 15 1HD2 ASN 15 -10.585 -5.769 -9.326
107 HD22 ASN 15 2HD2 ASN 15 -11.500 -7.203 -9.651
108 H ASP 16 H ASP 16 -4.953 -8.618 -7.555
109 HA ASP 16 HA ASP 16 -2.955 -8.138 -8.382
110 HB2 ASP 16 1HB ASP 16 -4.363 -6.674 -10.165
111 HB3 ASP 16 2HB ASP 16 -3.679 -5.343 -9.253
112 H SER 17 H SER 17 -1.153 -7.042 -7.319
113 HA SER 17 HA SER 17 -1.879 -5.814 -4.891
114 HB2 SER 17 1HB SER 17 0.576 -5.663 -4.522
115 HB3 SER 17 2HB SER 17 0.090 -7.265 -5.040
116 HG SER 17 HG SER 17 0.895 -6.875 -7.120
117 H GLN 18 H GLN 18 -0.831 -4.719 -8.110
118 HA GLN 18 HA GLN 18 -0.009 -2.172 -7.367
119 HB2 GLN 18 1HB GLN 18 -1.185 -3.143 -10.009
120 HB3 GLN 18 2HB GLN 18 -0.327 -1.631 -9.791
121 HG2 GLN 18 1HG GLN 18 1.694 -2.917 -9.009
122 HG3 GLN 18 2HG GLN 18 0.832 -4.415 -9.300
123 HE21 GLN 18 1HE2 GLN 18 3.076 -2.449 -10.523
124 HE22 GLN 18 2HE2 GLN 18 2.912 -2.718 -12.226
125 H LEU 19 H LEU 19 -3.133 -3.645 -7.414
126 HA LEU 19 HA LEU 19 -4.628 -1.296 -8.014
127 HB2 LEU 19 1HB LEU 19 -5.534 -3.460 -8.489
128 HB3 LEU 19 2HB LEU 19 -5.346 -3.973 -6.824
129 HG LEU 19 HG LEU 19 -6.991 -2.081 -6.231
130 HD11 LEU 19 1HD1 LEU 19 -7.031 -0.774 -8.195
131 HD12 LEU 19 2HD1 LEU 19 -7.332 -2.190 -9.231
132 HD13 LEU 19 3HD1 LEU 19 -8.605 -1.603 -8.134
133 HD21 LEU 19 3HD2 LEU 19 -8.687 -3.889 -7.698
134 HD22 LEU 19 1HD2 LEU 19 -7.337 -4.779 -6.954
135 HD23 LEU 19 2HD2 LEU 19 -8.400 -3.769 -5.945
136 H ALA 20 H ALA 20 -4.084 -3.186 -4.953
137 HA ALA 20 HA ALA 20 -5.201 -1.164 -3.337
138 HB1 ALA 20 3HB ALA 20 -5.144 -2.910 -1.927
139 HB2 ALA 20 1HB ALA 20 -4.144 -3.824 -3.082
140 HB3 ALA 20 2HB ALA 20 -3.369 -2.788 -1.859
141 H TRP 21 H TRP 21 -2.031 -1.701 -4.793
142 HA TRP 21 HA TRP 21 -0.658 0.046 -2.985
143 HB2 TRP 21 1HB TRP 21 0.716 -1.582 -3.867
144 HB3 TRP 21 2HB TRP 21 0.026 -1.464 -5.474
145 HD1 TRP 21 HD TRP 21 0.899 0.688 -7.003
146 HE1 TRP 21 1HE TRP 21 3.136 2.088 -7.025
147 HE3 TRP 21 3HE TRP 21 2.444 -0.719 -2.367
148 HZ2 TRP 21 2HZ TRP 21 5.253 2.441 -5.144
149 HZ3 TRP 21 3HZ TRP 21 4.607 0.199 -1.535
150 HH2 TRP 21 HH TRP 21 5.996 1.728 -2.843
151 H ASP 22 H ASP 22 -2.146 0.175 -6.270
152 HA ASP 22 HA ASP 22 -1.253 2.719 -6.889
153 HB2 ASP 22 1HB ASP 22 -2.152 1.371 -8.651
154 HB3 ASP 22 2HB ASP 22 -3.622 1.031 -7.760
155 H THR 23 H THR 23 -3.482 1.582 -4.522
156 HA THR 23 HA THR 23 -5.015 4.081 -4.515
157 HB THR 23 HB THR 23 -5.450 1.239 -3.704
158 HG1 THR 23 1HG THR 23 -6.704 2.186 -5.370
159 HG21 THR 23 3HG2 THR 23 -6.838 3.514 -2.204
160 HG22 THR 23 1HG2 THR 23 -7.060 1.764 -1.962
161 HG23 THR 23 2HG2 THR 23 -5.534 2.543 -1.479
162 H CYS 24 H CYS 24 -3.329 1.907 -2.143
163 HA CYS 24 HA CYS 24 -3.274 3.900 -0.175
164 HB2 CYS 24 1HB CYS 24 -2.466 2.292 1.136
165 HB3 CYS 24 2HB CYS 24 -2.846 1.227 -0.202
166 H SER 25 H SER 25 -0.746 2.562 -2.429
167 HA SER 25 HA SER 25 0.928 4.818 -1.766
168 HB2 SER 25 1HB SER 25 2.155 3.193 -3.765
169 HB3 SER 25 2HB SER 25 2.576 3.308 -2.068
170 HG SER 25 HG SER 25 0.693 1.487 -3.295
171 H GLY 26 H GLY 26 -1.185 5.910 -2.966
172 HA2 GLY 26 1HA GLY 26 -0.271 6.420 -5.726
173 HA3 GLY 26 2HA GLY 26 -1.958 6.098 -5.378
174 H GLY 27 H GLY 27 -2.537 8.233 -6.174
175 HA2 GLY 27 1HA GLY 27 -1.523 10.514 -4.646
176 HA3 GLY 27 2HA GLY 27 -2.473 10.555 -6.118
177 H THR 28 H THR 28 -4.299 8.346 -4.886
178 HA THR 28 HA THR 28 -5.656 9.988 -2.871
179 HB THR 28 HB THR 28 -7.787 9.687 -4.087
180 HG1 THR 28 1HG THR 28 -7.680 7.889 -5.380
181 HG21 THR 28 3HG2 THR 28 -7.190 10.759 -6.351
182 HG22 THR 28 1HG2 THR 28 -6.625 11.657 -4.922
183 HG23 THR 28 2HG2 THR 28 -5.484 10.656 -5.853
184 H GLY 29 H GLY 29 -7.970 8.114 -2.955
185 HA2 GLY 29 1HA GLY 29 -8.587 6.091 -2.151
186 HA3 GLY 29 2HA GLY 29 -6.955 5.499 -2.388
187 H ASN 30 H ASN 30 -6.170 4.710 -0.484
188 HA ASN 30 HA ASN 30 -6.536 6.431 1.837
189 HB2 ASN 30 1HB ASN 30 -6.349 4.007 3.044
190 HB3 ASN 30 2HB ASN 30 -7.892 4.683 2.560
191 HD21 ASN 30 1HD2 ASN 30 -9.155 3.421 1.444
192 HD22 ASN 30 2HD2 ASN 30 -8.693 2.105 0.417
193 H CYS 31 H CYS 31 -4.325 7.221 1.184
194 HA CYS 31 HA CYS 31 -2.207 5.277 1.206
195 HB2 CYS 31 1HB CYS 31 -0.755 7.084 0.636
196 HB3 CYS 31 2HB CYS 31 -2.190 7.167 -0.367
197 H GLY 32 H GLY 32 -0.461 5.302 2.810
198 HA2 GLY 32 1HA GLY 32 -0.125 6.933 4.952
199 HA3 GLY 32 2HA GLY 32 -1.416 5.866 5.468
200 H THR 33 H THR 33 0.668 5.546 7.026
201 HA THR 33 HA THR 33 2.542 3.635 5.909
202 HB THR 33 HB THR 33 2.191 4.838 8.707
203 HG1 THR 33 1HG THR 33 4.031 6.124 7.797
204 HG21 THR 33 3HG2 THR 33 3.599 2.828 8.846
205 HG22 THR 33 1HG2 THR 33 4.475 3.297 7.369
206 HG23 THR 33 2HG2 THR 33 4.666 4.252 8.859
207 H VAL 34 H VAL 34 -0.625 3.486 7.001
208 HA VAL 34 HA VAL 34 -0.405 1.116 8.572
209 HB VAL 34 HB VAL 34 -2.750 2.458 7.212
210 HG11 VAL 34 1HG1 VAL 34 -4.210 1.047 8.344
211 HG12 VAL 34 2HG1 VAL 34 -2.902 -0.065 7.871
212 HG13 VAL 34 3HG1 VAL 34 -2.983 0.558 9.537
213 HG21 VAL 34 3HG2 VAL 34 -1.516 2.720 9.956
214 HG22 VAL 34 1HG2 VAL 34 -1.935 3.995 8.787
215 HG23 VAL 34 2HG2 VAL 34 -3.223 3.128 9.658
216 H CYS 35 H CYS 35 -1.099 1.934 5.136
217 HA CYS 35 HA CYS 35 -1.834 -0.640 4.367
218 HB2 CYS 35 1HB CYS 35 -2.271 0.430 2.489
219 HB3 CYS 35 2HB CYS 35 -1.535 1.875 3.153
220 H CYS 36 H CYS 36 1.158 0.702 5.443
221 HA CYS 36 HA CYS 36 3.032 -0.552 3.893
222 HB2 CYS 36 1HB CYS 36 4.549 0.045 5.472
223 HB3 CYS 36 2HB CYS 36 3.225 1.108 5.908
224 H GLY 37 H GLY 37 1.378 -1.724 6.916
225 HA2 GLY 37 1HA GLY 37 2.189 -4.472 6.178
226 HA3 GLY 37 2HA GLY 37 1.966 -3.895 7.818
227 H GLN 38 H GLN 38 -0.093 -3.239 4.915
228 HA GLN 38 HA GLN 38 -2.217 -4.666 6.318
229 HB2 GLN 38 1HB GLN 38 -2.217 -1.984 5.935
230 HB3 GLN 38 2HB GLN 38 -2.916 -2.466 4.401
231 HG2 GLN 38 1HG GLN 38 -4.794 -2.192 5.840
232 HG3 GLN 38 2HG GLN 38 -4.560 -3.927 5.763
233 HE21 GLN 38 1HE2 GLN 38 -5.943 -2.686 7.803
234 HE22 GLN 38 2HE2 GLN 38 -5.093 -2.858 9.303
235 H CYS 39 H CYS 39 -0.988 -3.535 3.099
236 HA CYS 39 HA CYS 39 -2.347 -5.853 1.932
237 HB2 CYS 39 1HB CYS 39 -1.636 -3.167 0.759
238 HB3 CYS 39 2HB CYS 39 -2.029 -4.550 -0.243
239 H PHE 40 H PHE 40 0.664 -4.204 2.664
240 HA PHE 40 HA PHE 40 2.097 -6.349 1.286
241 HB2 PHE 40 1HB PHE 40 3.210 -3.527 1.480
242 HB3 PHE 40 2HB PHE 40 3.550 -4.743 0.265
243 HD1 PHE 40 2HD PHE 40 1.245 -2.100 1.298
244 HD2 PHE 40 1HD PHE 40 2.084 -5.033 -1.652
245 HE1 PHE 40 2HE PHE 40 -0.394 -1.005 -0.256
246 HE2 PHE 40 1HE PHE 40 0.445 -3.938 -3.206
247 HZ PHE 40 HZ PHE 40 -0.774 -1.937 -2.489
248 H SER 41 H SER 41 4.667 -5.854 2.004
249 HA SER 41 HA SER 41 4.721 -5.133 4.779
250 HB2 SER 41 1HB SER 41 6.080 -7.475 5.036
251 HB3 SER 41 2HB SER 41 4.380 -7.302 5.424
252 HG SER 41 HG SER 41 5.193 -9.097 3.855
253 H PHE 42 H PHE 42 7.015 -4.990 5.592
254 HA PHE 42 HA PHE 42 8.660 -3.732 3.786
255 HB2 PHE 42 1HB PHE 42 8.555 -4.489 6.544
256 HB3 PHE 42 2HB PHE 42 10.059 -5.175 5.965
257 HD1 PHE 42 1HD PHE 42 8.160 -1.967 5.971
258 HD2 PHE 42 2HD PHE 42 11.962 -3.850 5.903
259 HE1 PHE 42 1HE PHE 42 9.272 0.270 6.211
260 HE2 PHE 42 2HE PHE 42 13.075 -1.613 6.142
261 HZ PHE 42 HZ PHE 42 11.716 0.420 6.293
262 HA PRO 43 HA PRO 43 10.792 -3.468 3.819
263 HB2 PRO 43 1HB PRO 43 12.464 -3.029 1.702
264 HB3 PRO 43 2HB PRO 43 13.012 -3.668 3.239
265 HG2 PRO 43 1HG PRO 43 12.605 -5.090 0.679
266 HG3 PRO 43 2HG PRO 43 13.533 -5.592 2.078
267 HD2 PRO 43 1HD PRO 43 10.941 -6.546 1.306
268 HD3 PRO 43 2HD PRO 43 11.819 -6.961 2.765
269 H VAL 44 H VAL 44 8.702 -4.759 1.823
270 HA VAL 44 HA VAL 44 8.400 -2.674 -0.077
271 HB VAL 44 HB VAL 44 6.209 -4.536 0.773
272 HG11 VAL 44 1HG1 VAL 44 5.987 -4.634 -1.787
273 HG12 VAL 44 2HG1 VAL 44 5.548 -3.110 -0.980
274 HG13 VAL 44 3HG1 VAL 44 7.115 -3.258 -1.813
275 HG21 VAL 44 3HG2 VAL 44 7.593 -6.296 0.596
276 HG22 VAL 44 1HG2 VAL 44 7.578 -5.964 -1.153
277 HG23 VAL 44 2HG2 VAL 44 8.889 -5.320 -0.136
278 H SER 45 H SER 45 7.074 -3.411 3.175
279 HA SER 45 HA SER 45 5.005 -1.666 3.226
280 HB2 SER 45 1HB SER 45 5.001 -2.728 5.232
281 HB3 SER 45 2HB SER 45 6.730 -3.008 5.180
282 HG SER 45 HG SER 45 6.132 -1.628 6.964
283 H GLN 46 H GLN 46 8.422 -0.995 2.987
284 HA GLN 46 HA GLN 46 8.219 1.626 4.086
285 HB2 GLN 46 1HB GLN 46 10.295 -0.025 3.929
286 HB3 GLN 46 2HB GLN 46 10.518 0.706 2.352
287 HG2 GLN 46 1HG GLN 46 10.004 2.852 4.184
288 HG3 GLN 46 2HG GLN 46 11.164 1.796 4.965
289 HE21 GLN 46 1HE2 GLN 46 12.335 3.932 4.601
290 HE22 GLN 46 2HE2 GLN 46 13.308 4.062 3.174
291 H SER 47 H SER 47 7.937 0.056 0.922
292 HA SER 47 HA SER 47 8.289 2.450 -0.541
293 HB2 SER 47 1HB SER 47 8.460 -0.143 -1.224
294 HB3 SER 47 2HB SER 47 6.780 0.097 -1.663
295 HG SER 47 HG SER 47 8.438 0.518 -3.383
296 H CYS 48 H CYS 48 5.553 0.613 0.861
297 HA CYS 48 HA CYS 48 3.470 1.776 -0.491
298 HB2 CYS 48 1HB CYS 48 2.828 0.014 0.816
299 HB3 CYS 48 2HB CYS 48 3.803 0.511 2.185
300 H ALA 49 H ALA 49 4.839 2.730 2.754
301 HA ALA 49 HA ALA 49 3.420 5.159 2.841
302 HB1 ALA 49 3HB ALA 49 5.446 5.555 4.576
303 HB2 ALA 49 1HB ALA 49 4.064 4.494 4.942
304 HB3 ALA 49 2HB ALA 49 5.597 3.793 4.369
305 H GLY 50 H GLY 50 6.084 4.116 0.947
306 HA2 GLY 50 1HA GLY 50 7.421 6.676 0.811
307 HA3 GLY 50 2HA GLY 50 7.777 5.226 -0.107
308 H MET 51 H MET 51 5.499 4.574 -1.460
309 HA MET 51 HA MET 51 5.317 6.788 -3.275
310 HB2 MET 51 1HB MET 51 5.617 4.244 -3.841
311 HB3 MET 51 2HB MET 51 3.914 4.075 -3.465
312 HG2 MET 51 1HG MET 51 4.048 4.415 -5.851
313 HG3 MET 51 2HG MET 51 3.436 5.913 -5.179
314 HE1 MET 51 3HE MET 51 5.102 8.454 -5.860
315 HE2 MET 51 1HE MET 51 5.173 7.836 -7.528
316 HE3 MET 51 2HE MET 51 3.777 7.449 -6.494
317 H ALA 52 H ALA 52 3.965 6.740 -0.503
318 HA ALA 52 HA ALA 52 1.159 6.728 -1.239
319 HB1 ALA 52 3HB ALA 52 0.992 6.070 0.901
320 HB2 ALA 52 1HB ALA 52 2.734 6.339 1.144
321 HB3 ALA 52 2HB ALA 52 1.582 7.668 1.418
322 H ASP 53 H ASP 53 2.699 8.614 -2.704
323 HA ASP 53 HA ASP 53 2.806 10.714 -3.238
324 HB2 ASP 53 1HB ASP 53 0.256 10.349 -3.022
325 HB3 ASP 53 2HB ASP 53 0.360 11.163 -1.474
326 H SER 54 H SER 54 2.722 13.157 -2.207
327 HA SER 54 HA SER 54 4.148 12.906 0.310
328 HB2 SER 54 1HB SER 54 4.381 14.640 -2.071
329 HB3 SER 54 2HB SER 54 4.451 15.541 -0.570
330 HG SER 54 HG SER 54 6.477 14.341 -1.650
331 H ASN 55 H ASN 55 2.513 15.819 -1.038
332 HA ASN 55 HA ASN 55 0.878 15.819 1.375
333 HB2 ASN 55 1HB ASN 55 2.663 17.763 0.509
334 HB3 ASN 55 2HB ASN 55 1.164 18.360 -0.176
335 HD21 ASN 55 1HD2 ASN 55 2.974 17.697 2.692
336 HD22 ASN 55 2HD2 ASN 55 1.922 18.444 3.848
337 H ASP 56 H ASP 56 0.918 15.350 -1.996
338 HA ASP 56 HA ASP 56 -1.437 16.728 -2.683
339 HB2 ASP 56 1HB ASP 56 0.449 14.798 -3.942
340 HB3 ASP 56 2HB ASP 56 -1.193 14.680 -4.542
341 H CYS 57 H CYS 57 -0.815 14.015 -0.740
342 HA CYS 57 HA CYS 57 -2.931 12.330 -1.600
343 HB2 CYS 57 1HB CYS 57 -0.750 12.182 0.211
344 HB3 CYS 57 2HB CYS 57 -2.205 11.867 1.136
345 HA PRO 58 HA PRO 58 -6.158 14.109 0.725
346 HB2 PRO 58 1HB PRO 58 -7.586 11.977 1.666
347 HB3 PRO 58 2HB PRO 58 -7.701 12.555 0.015
348 HG2 PRO 58 1HG PRO 58 -6.319 10.154 1.047
349 HG3 PRO 58 2HG PRO 58 -6.806 10.519 -0.596
350 HD2 PRO 58 1HD PRO 58 -4.154 10.683 0.485
351 HD3 PRO 58 2HD PRO 58 -4.662 11.158 -1.124
352 H ASN 59 H ASN 59 -4.003 14.583 2.123
353 HA ASN 59 HA ASN 59 -4.286 13.396 4.695
354 HB2 ASN 59 1HB ASN 59 -2.482 15.530 3.484
355 HB3 ASN 59 2HB ASN 59 -2.486 15.269 5.216
356 HD21 ASN 59 1HD2 ASN 59 -0.885 14.063 5.853
357 HD22 ASN 59 2HD2 ASN 59 -0.222 12.677 5.054
358 H ALA 60 H ALA 60 -4.474 14.899 6.700
359 HA ALA 60 HA ALA 60 -5.907 16.181 7.846
360 HB1 ALA 60 3HB ALA 60 -5.479 18.592 6.259
361 HB2 ALA 60 1HB ALA 60 -4.899 18.193 7.894
362 HB3 ALA 60 2HB ALA 60 -3.968 17.674 6.468
Start of MODEL 15
1 H1 ASP 1 H ASP 1 10.229 -5.392 -6.017
2 HA ASP 1 HA ASP 1 8.001 -6.529 -7.488
3 HB2 ASP 1 1HB ASP 1 8.677 -8.633 -6.157
4 HB3 ASP 1 2HB ASP 1 9.804 -8.080 -7.379
5 H ILE 2 H ILE 2 6.027 -6.039 -6.505
6 HA ILE 2 HA ILE 2 5.994 -5.975 -3.569
7 HB ILE 2 HB ILE 2 4.480 -4.280 -3.605
8 HG12 ILE 2 1HG1 ILE 2 3.673 -5.070 -6.420
9 HG13 ILE 2 2HG1 ILE 2 2.788 -5.430 -4.951
10 HG21 ILE 2 1HG2 ILE 2 6.584 -3.472 -4.548
11 HG22 ILE 2 2HG2 ILE 2 6.001 -3.839 -6.190
12 HG23 ILE 2 3HG2 ILE 2 5.194 -2.584 -5.219
13 HD11 ILE 2 3HD1 ILE 2 1.703 -3.460 -5.247
14 HD12 ILE 2 1HD1 ILE 2 3.226 -2.649 -4.810
15 HD13 ILE 2 2HD1 ILE 2 2.841 -2.958 -6.520
16 H GLU 3 H GLU 3 4.514 -7.234 -6.568
17 HA GLU 3 HA GLU 3 2.284 -8.376 -5.498
18 HB2 GLU 3 1HB GLU 3 2.824 -8.245 -7.928
19 HB3 GLU 3 2HB GLU 3 4.061 -9.469 -7.725
20 HG2 GLU 3 1HG GLU 3 2.535 -11.189 -7.573
21 HG3 GLU 3 2HG GLU 3 1.389 -10.235 -6.651
22 H ASP 4 H ASP 4 5.683 -9.338 -5.231
23 HA ASP 4 HA ASP 4 5.138 -11.982 -4.439
24 HB2 ASP 4 1HB ASP 4 7.577 -10.206 -3.957
25 HB3 ASP 4 2HB ASP 4 7.540 -11.933 -3.666
26 H PHE 5 H PHE 5 4.797 -8.882 -2.968
27 HA PHE 5 HA PHE 5 4.856 -10.101 -0.296
28 HB2 PHE 5 1HB PHE 5 5.706 -7.437 -1.484
29 HB3 PHE 5 2HB PHE 5 5.070 -7.408 0.148
30 HD1 PHE 5 1HD PHE 5 6.276 -8.510 1.974
31 HD2 PHE 5 2HD PHE 5 7.854 -8.435 -1.965
32 HE1 PHE 5 1HE PHE 5 8.530 -9.164 2.864
33 HE2 PHE 5 2HE PHE 5 10.108 -9.088 -1.074
34 HZ PHE 5 HZ PHE 5 10.419 -9.445 1.329
35 H TYR 6 H TYR 6 2.674 -9.791 -2.480
36 HA TYR 6 HA TYR 6 0.873 -7.858 -1.373
37 HB2 TYR 6 1HB TYR 6 1.119 -8.725 -3.813
38 HB3 TYR 6 2HB TYR 6 0.468 -10.257 -3.264
39 HD1 TYR 6 2HD TYR 6 -0.879 -7.210 -1.767
40 HD2 TYR 6 1HD TYR 6 -1.338 -10.027 -4.954
41 HE1 TYR 6 2HE TYR 6 -3.238 -6.361 -2.188
42 HE2 TYR 6 1HE TYR 6 -3.696 -9.169 -5.364
43 HH TYR 6 HH TYR 6 -4.802 -6.284 -4.129
44 H THR 7 H THR 7 -0.437 -8.135 0.359
45 HA THR 7 HA THR 7 -0.938 -10.904 1.219
46 HB THR 7 HB THR 7 -1.159 -9.926 3.461
47 HG1 THR 7 1HG THR 7 -2.200 -7.939 2.533
48 HG21 THR 7 3HG2 THR 7 1.087 -8.211 2.423
49 HG22 THR 7 1HG2 THR 7 1.057 -9.297 3.833
50 HG23 THR 7 2HG2 THR 7 1.250 -9.969 2.196
51 H SER 8 H SER 8 -2.649 -11.306 -0.265
52 HA SER 8 HA SER 8 -4.836 -9.543 -0.375
53 HB2 SER 8 1HB SER 8 -4.770 -10.828 -2.287
54 HB3 SER 8 2HB SER 8 -4.128 -12.232 -1.458
55 HG SER 8 HG SER 8 -6.408 -12.387 -2.262
56 H GLU 9 H GLU 9 -3.721 -11.447 2.125
57 HA GLU 9 HA GLU 9 -6.166 -12.625 2.928
58 HB2 GLU 9 1HB GLU 9 -3.460 -12.910 3.606
59 HB3 GLU 9 2HB GLU 9 -4.169 -12.222 5.054
60 HG2 GLU 9 1HG GLU 9 -6.062 -14.137 4.318
61 HG3 GLU 9 2HG GLU 9 -4.555 -14.907 3.861
62 H THR 10 H THR 10 -4.216 -9.747 3.953
63 HA THR 10 HA THR 10 -6.486 -8.882 5.596
64 HB THR 10 HB THR 10 -4.470 -8.850 6.865
65 HG1 THR 10 1HG THR 10 -4.135 -6.522 6.998
66 HG21 THR 10 3HG2 THR 10 -2.609 -9.162 5.475
67 HG22 THR 10 1HG2 THR 10 -3.227 -8.047 4.233
68 HG23 THR 10 2HG2 THR 10 -2.495 -7.403 5.723
69 H CYS 11 H CYS 11 -4.782 -8.254 2.591
70 HA CYS 11 HA CYS 11 -5.510 -5.580 2.296
71 HB2 CYS 11 1HB CYS 11 -3.795 -6.832 0.967
72 HB3 CYS 11 2HB CYS 11 -5.100 -7.622 0.104
73 HA PRO 12 HA PRO 12 -9.773 -6.121 1.511
74 HB2 PRO 12 1HB PRO 12 -10.386 -3.613 0.615
75 HB3 PRO 12 2HB PRO 12 -10.260 -4.019 2.315
76 HG2 PRO 12 1HG PRO 12 -8.358 -2.518 0.621
77 HG3 PRO 12 2HG PRO 12 -8.466 -2.570 2.370
78 HD2 PRO 12 1HD PRO 12 -6.548 -3.931 0.728
79 HD3 PRO 12 2HD PRO 12 -6.729 -4.073 2.465
80 H TYR 13 H TYR 13 -7.448 -5.868 -0.790
81 HA TYR 13 HA TYR 13 -9.459 -6.437 -2.859
82 HB2 TYR 13 1HB TYR 13 -6.741 -5.002 -3.079
83 HB3 TYR 13 2HB TYR 13 -7.885 -5.204 -4.391
84 HD1 TYR 13 1HD TYR 13 -10.041 -3.932 -4.378
85 HD2 TYR 13 2HD TYR 13 -6.983 -3.233 -1.468
86 HE1 TYR 13 1HE TYR 13 -11.110 -1.704 -3.778
87 HE2 TYR 13 2HE TYR 13 -8.063 -1.008 -0.878
88 HH TYR 13 HH TYR 13 -10.959 0.106 -2.612
89 H LYS 14 H LYS 14 -9.037 -8.188 -4.197
90 HA LYS 14 HA LYS 14 -6.433 -9.481 -3.839
91 HB2 LYS 14 1HB LYS 14 -7.788 -11.684 -3.933
92 HB3 LYS 14 2HB LYS 14 -7.680 -10.815 -2.416
93 HG2 LYS 14 1HG LYS 14 -10.002 -11.428 -2.715
94 HG3 LYS 14 2HG LYS 14 -9.894 -9.696 -2.959
95 HD2 LYS 14 1HD LYS 14 -9.488 -11.295 -5.437
96 HD3 LYS 14 2HD LYS 14 -11.078 -11.477 -4.724
97 HE2 LYS 14 1HE LYS 14 -10.860 -8.774 -4.539
98 HE3 LYS 14 2HE LYS 14 -9.792 -9.028 -5.905
99 HZ1 LYS 14 3HZ LYS 14 -12.459 -10.231 -5.816
100 HZ2 LYS 14 1HZ LYS 14 -12.220 -8.720 -6.387
101 HZ3 LYS 14 2HZ LYS 14 -11.502 -9.991 -7.118
102 H ASN 15 H ASN 15 -7.496 -7.645 -5.902
103 HA ASN 15 HA ASN 15 -7.990 -9.458 -8.092
104 HB2 ASN 15 1HB ASN 15 -8.941 -6.907 -7.490
105 HB3 ASN 15 2HB ASN 15 -7.690 -6.544 -8.662
106 HD21 ASN 15 1HD2 ASN 15 -10.638 -8.342 -8.043
107 HD22 ASN 15 2HD2 ASN 15 -11.126 -8.581 -9.688
108 H ASP 16 H ASP 16 -5.674 -6.957 -6.881
109 HA ASP 16 HA ASP 16 -3.552 -8.226 -8.243
110 HB2 ASP 16 1HB ASP 16 -4.887 -6.396 -9.807
111 HB3 ASP 16 2HB ASP 16 -3.723 -5.344 -9.025
112 H SER 17 H SER 17 -1.468 -7.373 -7.433
113 HA SER 17 HA SER 17 -1.697 -6.254 -4.877
114 HB2 SER 17 1HB SER 17 0.864 -6.164 -5.059
115 HB3 SER 17 2HB SER 17 0.125 -7.743 -5.242
116 HG SER 17 HG SER 17 1.691 -6.374 -7.013
117 H GLN 18 H GLN 18 -0.906 -4.990 -8.136
118 HA GLN 18 HA GLN 18 0.012 -2.504 -7.191
119 HB2 GLN 18 1HB GLN 18 -0.846 -3.574 -9.895
120 HB3 GLN 18 2HB GLN 18 -0.478 -1.873 -9.695
121 HG2 GLN 18 1HG GLN 18 1.773 -2.251 -9.530
122 HG3 GLN 18 2HG GLN 18 1.562 -3.626 -8.465
123 HE21 GLN 18 1HE2 GLN 18 1.313 -2.550 -11.823
124 HE22 GLN 18 2HE2 GLN 18 1.666 -4.068 -12.579
125 H LEU 19 H LEU 19 -3.141 -3.937 -7.716
126 HA LEU 19 HA LEU 19 -4.594 -1.591 -8.222
127 HB2 LEU 19 1HB LEU 19 -5.634 -3.586 -8.775
128 HB3 LEU 19 2HB LEU 19 -5.238 -4.348 -7.248
129 HG LEU 19 HG LEU 19 -7.671 -3.748 -7.639
130 HD11 LEU 19 1HD1 LEU 19 -8.073 -3.486 -5.377
131 HD12 LEU 19 2HD1 LEU 19 -6.426 -4.162 -5.389
132 HD13 LEU 19 3HD1 LEU 19 -6.671 -2.416 -5.139
133 HD21 LEU 19 3HD2 LEU 19 -7.972 -1.677 -8.459
134 HD22 LEU 19 1HD2 LEU 19 -7.926 -1.197 -6.745
135 HD23 LEU 19 2HD2 LEU 19 -6.462 -1.056 -7.749
136 H ALA 20 H ALA 20 -4.193 -3.485 -5.141
137 HA ALA 20 HA ALA 20 -5.417 -1.566 -3.537
138 HB1 ALA 20 3HB ALA 20 -5.246 -3.526 -2.391
139 HB2 ALA 20 1HB ALA 20 -3.737 -3.993 -3.211
140 HB3 ALA 20 2HB ALA 20 -3.692 -2.849 -1.848
141 H TRP 21 H TRP 21 -2.083 -1.915 -4.776
142 HA TRP 21 HA TRP 21 -0.943 -0.001 -3.037
143 HB2 TRP 21 1HB TRP 21 0.592 -1.448 -3.953
144 HB3 TRP 21 2HB TRP 21 -0.127 -1.394 -5.551
145 HD1 TRP 21 HD TRP 21 0.315 1.092 -6.908
146 HE1 TRP 21 1HE TRP 21 2.454 2.634 -7.006
147 HE3 TRP 21 3HE TRP 21 2.482 -0.751 -2.693
148 HZ2 TRP 21 2HZ TRP 21 4.760 2.904 -5.347
149 HZ3 TRP 21 3HZ TRP 21 4.677 0.207 -2.002
150 HH2 TRP 21 HH TRP 21 5.813 1.972 -3.254
151 H ASP 22 H ASP 22 -2.501 0.054 -6.285
152 HA ASP 22 HA ASP 22 -1.850 2.675 -6.883
153 HB2 ASP 22 1HB ASP 22 -2.735 1.052 -8.533
154 HB3 ASP 22 2HB ASP 22 -4.268 0.989 -7.685
155 H THR 23 H THR 23 -3.908 1.312 -4.478
156 HA THR 23 HA THR 23 -5.786 3.529 -4.437
157 HB THR 23 HB THR 23 -5.583 0.764 -3.412
158 HG1 THR 23 1HG THR 23 -7.987 1.335 -3.470
159 HG21 THR 23 3HG2 THR 23 -7.301 1.489 -1.532
160 HG22 THR 23 1HG2 THR 23 -5.560 1.552 -1.168
161 HG23 THR 23 2HG2 THR 23 -6.435 3.044 -1.590
162 H CYS 24 H CYS 24 -3.313 2.079 -2.211
163 HA CYS 24 HA CYS 24 -3.471 4.408 -0.552
164 HB2 CYS 24 1HB CYS 24 -2.941 2.799 0.887
165 HB3 CYS 24 2HB CYS 24 -2.366 1.726 -0.373
166 H SER 25 H SER 25 -0.694 2.719 -2.205
167 HA SER 25 HA SER 25 0.726 5.185 -2.292
168 HB2 SER 25 1HB SER 25 2.150 3.375 -3.860
169 HB3 SER 25 2HB SER 25 2.387 3.653 -2.146
170 HG SER 25 HG SER 25 0.569 1.703 -3.287
171 H GLY 26 H GLY 26 -1.545 5.741 -3.652
172 HA2 GLY 26 1HA GLY 26 -0.729 5.619 -6.495
173 HA3 GLY 26 2HA GLY 26 -2.390 5.421 -5.972
174 H GLY 27 H GLY 27 -0.908 7.578 -3.819
175 HA2 GLY 27 1HA GLY 27 -0.543 9.879 -3.941
176 HA3 GLY 27 2HA GLY 27 -1.374 9.947 -5.483
177 H THR 28 H THR 28 -3.683 8.276 -4.634
178 HA THR 28 HA THR 28 -4.906 10.091 -2.664
179 HB THR 28 HB THR 28 -6.931 10.099 -4.081
180 HG1 THR 28 1HG THR 28 -6.653 7.967 -4.992
181 HG21 THR 28 3HG2 THR 28 -4.320 10.691 -5.547
182 HG22 THR 28 1HG2 THR 28 -5.902 10.947 -6.322
183 HG23 THR 28 2HG2 THR 28 -5.475 11.854 -4.852
184 H GLY 29 H GLY 29 -7.471 8.609 -2.952
185 HA2 GLY 29 1HA GLY 29 -8.500 6.793 -2.103
186 HA3 GLY 29 2HA GLY 29 -7.027 5.875 -2.343
187 H ASN 30 H ASN 30 -6.333 4.951 -0.470
188 HA ASN 30 HA ASN 30 -6.629 6.575 1.935
189 HB2 ASN 30 1HB ASN 30 -6.392 4.095 2.987
190 HB3 ASN 30 2HB ASN 30 -7.948 4.735 2.493
191 HD21 ASN 30 1HD2 ASN 30 -5.700 2.273 2.138
192 HD22 ASN 30 2HD2 ASN 30 -6.343 1.464 0.748
193 H CYS 31 H CYS 31 -4.388 7.235 0.682
194 HA CYS 31 HA CYS 31 -2.259 5.408 0.889
195 HB2 CYS 31 1HB CYS 31 -0.935 7.056 0.015
196 HB3 CYS 31 2HB CYS 31 -2.515 7.518 -0.586
197 H GLY 32 H GLY 32 -0.460 5.480 2.442
198 HA2 GLY 32 1HA GLY 32 0.059 7.041 4.520
199 HA3 GLY 32 2HA GLY 32 -1.368 6.215 5.113
200 H THR 33 H THR 33 0.775 5.738 6.623
201 HA THR 33 HA THR 33 2.393 3.587 5.666
202 HB THR 33 HB THR 33 1.912 4.685 8.486
203 HG1 THR 33 1HG THR 33 2.901 6.385 7.456
204 HG21 THR 33 3HG2 THR 33 4.095 2.987 7.195
205 HG22 THR 33 1HG2 THR 33 4.419 3.988 8.631
206 HG23 THR 33 2HG2 THR 33 3.220 2.675 8.713
207 H VAL 34 H VAL 34 -0.857 3.705 6.411
208 HA VAL 34 HA VAL 34 -1.078 1.361 7.985
209 HB VAL 34 HB VAL 34 -3.065 2.771 6.191
210 HG11 VAL 34 1HG1 VAL 34 -4.782 1.538 7.170
211 HG12 VAL 34 2HG1 VAL 34 -3.502 0.320 6.956
212 HG13 VAL 34 3HG1 VAL 34 -3.780 1.046 8.557
213 HG21 VAL 34 3HG2 VAL 34 -3.853 3.546 8.584
214 HG22 VAL 34 1HG2 VAL 34 -2.158 3.218 9.018
215 HG23 VAL 34 2HG2 VAL 34 -2.537 4.399 7.741
216 H CYS 35 H CYS 35 -1.532 2.064 4.451
217 HA CYS 35 HA CYS 35 -2.057 -0.575 3.753
218 HB2 CYS 35 1HB CYS 35 -2.424 0.342 1.778
219 HB3 CYS 35 2HB CYS 35 -1.943 1.883 2.460
220 H CYS 36 H CYS 36 0.814 1.026 4.846
221 HA CYS 36 HA CYS 36 2.799 -0.230 3.426
222 HB2 CYS 36 1HB CYS 36 4.169 0.800 4.844
223 HB3 CYS 36 2HB CYS 36 2.714 1.548 5.473
224 H GLY 37 H GLY 37 1.118 -1.230 6.491
225 HA2 GLY 37 1HA GLY 37 2.127 -3.974 6.035
226 HA3 GLY 37 2HA GLY 37 1.826 -3.267 7.610
227 H GLN 38 H GLN 38 -0.179 -3.042 4.602
228 HA GLN 38 HA GLN 38 -2.256 -4.447 6.094
229 HB2 GLN 38 1HB GLN 38 -2.517 -1.877 5.622
230 HB3 GLN 38 2HB GLN 38 -2.860 -2.365 3.974
231 HG2 GLN 38 1HG GLN 38 -4.828 -3.539 4.585
232 HG3 GLN 38 2HG GLN 38 -4.325 -3.720 6.254
233 HE21 GLN 38 1HE2 GLN 38 -5.541 -2.609 7.564
234 HE22 GLN 38 2HE2 GLN 38 -6.177 -1.016 7.320
235 H CYS 39 H CYS 39 -1.116 -3.506 2.773
236 HA CYS 39 HA CYS 39 -2.223 -6.051 1.839
237 HB2 CYS 39 1HB CYS 39 -1.632 -3.529 0.275
238 HB3 CYS 39 2HB CYS 39 -2.209 -5.034 -0.412
239 H PHE 40 H PHE 40 0.612 -4.162 2.535
240 HA PHE 40 HA PHE 40 2.243 -6.217 1.244
241 HB2 PHE 40 1HB PHE 40 3.117 -3.307 1.391
242 HB3 PHE 40 2HB PHE 40 3.601 -4.523 0.226
243 HD1 PHE 40 1HD PHE 40 1.987 -5.185 -1.587
244 HD2 PHE 40 2HD PHE 40 1.290 -1.864 0.961
245 HE1 PHE 40 1HE PHE 40 0.317 -4.279 -3.226
246 HE2 PHE 40 2HE PHE 40 -0.381 -0.957 -0.678
247 HZ PHE 40 HZ PHE 40 -0.848 -2.175 -2.752
248 H SER 41 H SER 41 4.702 -5.762 2.040
249 HA SER 41 HA SER 41 4.691 -4.827 4.759
250 HB2 SER 41 1HB SER 41 6.034 -7.109 5.253
251 HB3 SER 41 2HB SER 41 4.302 -6.975 5.484
252 HG SER 41 HG SER 41 3.965 -7.916 3.395
253 H PHE 42 H PHE 42 6.956 -4.593 5.612
254 HA PHE 42 HA PHE 42 8.639 -3.434 3.787
255 HB2 PHE 42 1HB PHE 42 8.481 -4.055 6.573
256 HB3 PHE 42 2HB PHE 42 9.995 -4.773 6.061
257 HD1 PHE 42 1HD PHE 42 8.112 -1.562 5.810
258 HD2 PHE 42 2HD PHE 42 11.901 -3.461 6.030
259 HE1 PHE 42 1HE PHE 42 9.228 0.681 5.961
260 HE2 PHE 42 2HE PHE 42 13.017 -1.218 6.181
261 HZ PHE 42 HZ PHE 42 11.667 0.826 6.145
262 HA PRO 43 HA PRO 43 10.757 -3.149 3.823
263 HB2 PRO 43 1HB PRO 43 12.447 -2.802 1.704
264 HB3 PRO 43 2HB PRO 43 12.985 -3.355 3.278
265 HG2 PRO 43 1HG PRO 43 12.621 -4.912 0.791
266 HG3 PRO 43 2HG PRO 43 13.539 -5.331 2.223
267 HD2 PRO 43 1HD PRO 43 10.965 -6.352 1.475
268 HD3 PRO 43 2HD PRO 43 11.831 -6.681 2.963
269 H VAL 44 H VAL 44 8.672 -4.545 1.921
270 HA VAL 44 HA VAL 44 8.377 -2.597 -0.119
271 HB VAL 44 HB VAL 44 6.196 -4.400 0.883
272 HG11 VAL 44 1HG1 VAL 44 7.032 -3.293 -1.808
273 HG12 VAL 44 2HG1 VAL 44 5.866 -4.627 -1.640
274 HG13 VAL 44 3HG1 VAL 44 5.507 -3.037 -0.926
275 HG21 VAL 44 3HG2 VAL 44 7.631 -5.840 -1.062
276 HG22 VAL 44 1HG2 VAL 44 8.851 -5.243 0.088
277 HG23 VAL 44 2HG2 VAL 44 7.478 -6.215 0.671
278 H SER 45 H SER 45 7.017 -3.113 3.167
279 HA SER 45 HA SER 45 4.984 -1.324 3.084
280 HB2 SER 45 1HB SER 45 4.898 -2.211 5.164
281 HB3 SER 45 2HB SER 45 6.595 -2.645 5.120
282 HG SER 45 HG SER 45 5.739 0.068 5.612
283 H GLN 46 H GLN 46 8.407 -0.742 2.825
284 HA GLN 46 HA GLN 46 8.308 1.911 3.833
285 HB2 GLN 46 1HB GLN 46 10.343 0.324 3.772
286 HB3 GLN 46 2HB GLN 46 10.473 0.707 2.067
287 HG2 GLN 46 1HG GLN 46 10.153 3.191 3.501
288 HG3 GLN 46 2HG GLN 46 11.388 2.258 4.323
289 HE21 GLN 46 1HE2 GLN 46 11.109 4.617 2.266
290 HE22 GLN 46 2HE2 GLN 46 12.403 4.337 1.149
291 H SER 47 H SER 47 7.900 0.279 0.704
292 HA SER 47 HA SER 47 8.209 2.656 -0.801
293 HB2 SER 47 1HB SER 47 6.787 0.125 -1.704
294 HB3 SER 47 2HB SER 47 7.612 1.305 -2.704
295 HG SER 47 HG SER 47 9.298 -0.001 -2.520
296 H CYS 48 H CYS 48 5.472 0.701 0.503
297 HA CYS 48 HA CYS 48 3.400 1.967 -0.767
298 HB2 CYS 48 1HB CYS 48 2.791 0.078 0.391
299 HB3 CYS 48 2HB CYS 48 3.694 0.518 1.827
300 H ALA 49 H ALA 49 4.780 2.667 2.537
301 HA ALA 49 HA ALA 49 3.325 5.055 2.848
302 HB1 ALA 49 3HB ALA 49 5.364 3.484 4.267
303 HB2 ALA 49 1HB ALA 49 5.563 5.239 4.489
304 HB3 ALA 49 2HB ALA 49 4.021 4.459 4.912
305 H GLY 50 H GLY 50 5.984 4.216 0.840
306 HA2 GLY 50 1HA GLY 50 7.241 6.827 0.881
307 HA3 GLY 50 2HA GLY 50 7.655 5.449 -0.120
308 H MET 51 H MET 51 5.393 4.795 -1.511
309 HA MET 51 HA MET 51 5.147 7.093 -3.206
310 HB2 MET 51 1HB MET 51 5.523 4.643 -3.961
311 HB3 MET 51 2HB MET 51 3.867 4.321 -3.487
312 HG2 MET 51 1HG MET 51 3.364 4.912 -5.645
313 HG3 MET 51 2HG MET 51 3.498 6.556 -5.052
314 HE1 MET 51 3HE MET 51 4.436 3.900 -7.077
315 HE2 MET 51 1HE MET 51 5.497 4.643 -8.297
316 HE3 MET 51 2HE MET 51 6.203 3.746 -6.931
317 H ALA 52 H ALA 52 3.765 6.706 -0.410
318 HA ALA 52 HA ALA 52 0.976 6.822 -1.217
319 HB1 ALA 52 3HB ALA 52 2.520 6.206 1.203
320 HB2 ALA 52 1HB ALA 52 1.150 7.295 1.524
321 HB3 ALA 52 2HB ALA 52 0.870 5.718 0.749
322 H ASP 53 H ASP 53 2.857 8.901 -2.155
323 HA ASP 53 HA ASP 53 2.959 11.054 -2.373
324 HB2 ASP 53 1HB ASP 53 0.198 10.575 -1.460
325 HB3 ASP 53 2HB ASP 53 0.752 12.179 -1.023
326 H SER 54 H SER 54 3.336 13.167 -1.126
327 HA SER 54 HA SER 54 4.061 12.504 1.609
328 HB2 SER 54 1HB SER 54 5.320 14.041 -0.535
329 HB3 SER 54 2HB SER 54 5.167 15.020 0.911
330 HG SER 54 HG SER 54 6.205 13.252 2.111
331 H ASN 55 H ASN 55 3.202 15.567 -0.164
332 HA ASN 55 HA ASN 55 1.400 16.128 2.059
333 HB2 ASN 55 1HB ASN 55 3.563 17.642 1.237
334 HB3 ASN 55 2HB ASN 55 2.287 18.376 0.286
335 HD21 ASN 55 1HD2 ASN 55 2.782 20.249 1.596
336 HD22 ASN 55 2HD2 ASN 55 2.031 20.457 3.143
337 H ASP 56 H ASP 56 1.659 15.250 -1.215
338 HA ASP 56 HA ASP 56 -0.342 16.903 -2.301
339 HB2 ASP 56 1HB ASP 56 0.890 14.251 -3.163
340 HB3 ASP 56 2HB ASP 56 -0.336 15.059 -4.121
341 H CYS 57 H CYS 57 -0.236 14.007 -0.326
342 HA CYS 57 HA CYS 57 -2.743 12.954 -1.156
343 HB2 CYS 57 1HB CYS 57 -0.569 12.125 0.475
344 HB3 CYS 57 2HB CYS 57 -2.009 12.079 1.472
345 HA PRO 58 HA PRO 58 -5.255 15.381 1.445
346 HB2 PRO 58 1HB PRO 58 -7.359 13.715 1.964
347 HB3 PRO 58 2HB PRO 58 -7.187 14.603 0.463
348 HG2 PRO 58 1HG PRO 58 -6.739 11.727 0.976
349 HG3 PRO 58 2HG PRO 58 -6.988 12.543 -0.555
350 HD2 PRO 58 1HD PRO 58 -4.494 11.594 0.499
351 HD3 PRO 58 2HD PRO 58 -4.728 12.512 -0.976
352 H ASN 59 H ASN 59 -3.143 14.823 2.878
353 HA ASN 59 HA ASN 59 -4.036 13.398 5.202
354 HB2 ASN 59 1HB ASN 59 -1.410 14.914 4.790
355 HB3 ASN 59 2HB ASN 59 -1.723 13.675 5.989
356 HD21 ASN 59 1HD2 ASN 59 -0.311 14.291 3.108
357 HD22 ASN 59 2HD2 ASN 59 -0.275 12.713 2.393
358 H ALA 60 H ALA 60 -3.643 14.505 7.431
359 HA ALA 60 HA ALA 60 -5.012 16.972 7.485
360 HB1 ALA 60 3HB ALA 60 -3.944 16.696 9.984
361 HB2 ALA 60 1HB ALA 60 -5.413 15.857 9.430
362 HB3 ALA 60 2HB ALA 60 -3.842 15.020 9.394
Start of MODEL 16
1 H1 ASP 1 H ASP 1 10.556 -6.323 -6.886
2 HA ASP 1 HA ASP 1 8.011 -6.704 -7.679
3 HB2 ASP 1 1HB ASP 1 9.695 -8.541 -5.911
4 HB3 ASP 1 2HB ASP 1 8.287 -9.057 -6.818
5 H ILE 2 H ILE 2 6.217 -5.860 -6.567
6 HA ILE 2 HA ILE 2 6.214 -6.008 -3.662
7 HB ILE 2 HB ILE 2 4.769 -4.276 -3.673
8 HG12 ILE 2 1HG1 ILE 2 3.665 -5.240 -6.327
9 HG13 ILE 2 2HG1 ILE 2 2.929 -5.453 -4.751
10 HG21 ILE 2 1HG2 ILE 2 5.607 -3.671 -6.475
11 HG22 ILE 2 2HG2 ILE 2 5.621 -2.643 -5.022
12 HG23 ILE 2 3HG2 ILE 2 6.868 -3.894 -5.238
13 HD11 ILE 2 3HD1 ILE 2 3.640 -2.642 -5.529
14 HD12 ILE 2 1HD1 ILE 2 2.274 -3.403 -6.380
15 HD13 ILE 2 2HD1 ILE 2 2.242 -3.247 -4.608
16 H GLU 3 H GLU 3 4.606 -7.325 -6.570
17 HA GLU 3 HA GLU 3 2.423 -8.441 -5.377
18 HB2 GLU 3 1HB GLU 3 2.477 -10.072 -7.288
19 HB3 GLU 3 2HB GLU 3 2.675 -8.405 -7.790
20 HG2 GLU 3 1HG GLU 3 4.653 -8.921 -8.765
21 HG3 GLU 3 2HG GLU 3 5.301 -9.412 -7.213
22 H ASP 4 H ASP 4 5.831 -9.424 -5.281
23 HA ASP 4 HA ASP 4 5.314 -12.046 -4.406
24 HB2 ASP 4 1HB ASP 4 7.780 -10.266 -4.120
25 HB3 ASP 4 2HB ASP 4 7.760 -11.976 -3.741
26 H PHE 5 H PHE 5 4.769 -9.037 -2.989
27 HA PHE 5 HA PHE 5 5.083 -10.161 -0.298
28 HB2 PHE 5 1HB PHE 5 5.834 -7.504 -1.565
29 HB3 PHE 5 2HB PHE 5 5.270 -7.458 0.093
30 HD1 PHE 5 2HD PHE 5 6.564 -8.556 1.876
31 HD2 PHE 5 1HD PHE 5 7.985 -8.431 -2.120
32 HE1 PHE 5 2HE PHE 5 8.865 -9.158 2.676
33 HE2 PHE 5 1HE PHE 5 10.287 -9.033 -1.320
34 HZ PHE 5 HZ PHE 5 10.699 -9.389 1.069
35 H TYR 6 H TYR 6 2.836 -9.736 -2.499
36 HA TYR 6 HA TYR 6 1.047 -7.914 -1.199
37 HB2 TYR 6 1HB TYR 6 1.260 -8.554 -3.711
38 HB3 TYR 6 2HB TYR 6 0.623 -10.133 -3.295
39 HD1 TYR 6 1HD TYR 6 -0.608 -7.025 -1.713
40 HD2 TYR 6 2HD TYR 6 -1.315 -9.979 -4.726
41 HE1 TYR 6 1HE TYR 6 -2.977 -6.155 -2.020
42 HE2 TYR 6 2HE TYR 6 -3.681 -9.099 -5.023
43 HH TYR 6 HH TYR 6 -4.962 -6.614 -2.883
44 H THR 7 H THR 7 -0.453 -8.340 0.358
45 HA THR 7 HA THR 7 -0.906 -11.184 0.990
46 HB THR 7 HB THR 7 -0.944 -10.537 3.324
47 HG1 THR 7 1HG THR 7 -2.151 -8.523 2.868
48 HG21 THR 7 3HG2 THR 7 1.163 -8.667 2.147
49 HG22 THR 7 1HG2 THR 7 1.210 -9.518 3.710
50 HG23 THR 7 2HG2 THR 7 1.394 -10.431 2.193
51 H SER 8 H SER 8 -2.712 -11.496 -0.314
52 HA SER 8 HA SER 8 -4.811 -9.614 -0.284
53 HB2 SER 8 1HB SER 8 -4.087 -11.600 -1.987
54 HB3 SER 8 2HB SER 8 -5.323 -12.459 -1.090
55 HG SER 8 HG SER 8 -6.815 -10.699 -1.592
56 H GLU 9 H GLU 9 -3.690 -11.657 2.096
57 HA GLU 9 HA GLU 9 -6.159 -12.756 2.949
58 HB2 GLU 9 1HB GLU 9 -3.445 -13.203 3.499
59 HB3 GLU 9 2HB GLU 9 -4.059 -12.545 5.003
60 HG2 GLU 9 1HG GLU 9 -6.048 -14.250 4.654
61 HG3 GLU 9 2HG GLU 9 -4.960 -15.041 3.531
62 H THR 10 H THR 10 -4.104 -9.929 3.834
63 HA THR 10 HA THR 10 -6.214 -9.064 5.687
64 HB THR 10 HB THR 10 -3.875 -9.325 6.573
65 HG1 THR 10 1HG THR 10 -4.296 -7.423 7.665
66 HG21 THR 10 3HG2 THR 10 -3.298 -7.621 4.181
67 HG22 THR 10 1HG2 THR 10 -2.530 -7.087 5.696
68 HG23 THR 10 2HG2 THR 10 -2.219 -8.724 5.069
69 H CYS 11 H CYS 11 -4.638 -8.389 2.612
70 HA CYS 11 HA CYS 11 -5.327 -5.694 2.432
71 HB2 CYS 11 1HB CYS 11 -3.697 -6.957 0.993
72 HB3 CYS 11 2HB CYS 11 -5.064 -7.659 0.151
73 HA PRO 12 HA PRO 12 -9.631 -6.153 1.830
74 HB2 PRO 12 1HB PRO 12 -10.249 -3.594 1.094
75 HB3 PRO 12 2HB PRO 12 -10.054 -4.091 2.763
76 HG2 PRO 12 1HG PRO 12 -8.207 -2.524 1.068
77 HG3 PRO 12 2HG PRO 12 -8.240 -2.667 2.814
78 HD2 PRO 12 1HD PRO 12 -6.414 -3.961 1.020
79 HD3 PRO 12 2HD PRO 12 -6.521 -4.194 2.754
80 H TYR 13 H TYR 13 -7.482 -5.194 -0.642
81 HA TYR 13 HA TYR 13 -9.570 -5.704 -2.635
82 HB2 TYR 13 1HB TYR 13 -6.755 -4.457 -2.603
83 HB3 TYR 13 2HB TYR 13 -7.626 -4.727 -4.099
84 HD1 TYR 13 2HD TYR 13 -9.692 -3.432 -4.602
85 HD2 TYR 13 1HD TYR 13 -7.326 -2.631 -1.129
86 HE1 TYR 13 2HE TYR 13 -10.834 -1.176 -4.335
87 HE2 TYR 13 1HE TYR 13 -8.476 -0.378 -0.873
88 HH TYR 13 HH TYR 13 -10.381 0.747 -1.487
89 H LYS 14 H LYS 14 -8.407 -6.674 -4.779
90 HA LYS 14 HA LYS 14 -6.446 -8.672 -4.144
91 HB2 LYS 14 1HB LYS 14 -7.987 -10.532 -4.986
92 HB3 LYS 14 2HB LYS 14 -8.210 -9.975 -3.340
93 HG2 LYS 14 1HG LYS 14 -10.420 -9.923 -4.060
94 HG3 LYS 14 2HG LYS 14 -9.947 -8.287 -4.471
95 HD2 LYS 14 1HD LYS 14 -9.211 -10.039 -6.663
96 HD3 LYS 14 2HD LYS 14 -10.881 -10.352 -6.235
97 HE2 LYS 14 1HE LYS 14 -11.285 -7.825 -6.312
98 HE3 LYS 14 2HE LYS 14 -9.663 -7.644 -6.949
99 HZ1 LYS 14 3HZ LYS 14 -11.111 -9.627 -8.346
100 HZ2 LYS 14 1HZ LYS 14 -11.893 -8.194 -8.383
101 HZ3 LYS 14 2HZ LYS 14 -10.356 -8.299 -8.923
102 H ASN 15 H ASN 15 -7.218 -10.299 -6.508
103 HA ASN 15 HA ASN 15 -7.137 -10.289 -8.695
104 HB2 ASN 15 1HB ASN 15 -8.149 -7.667 -8.232
105 HB3 ASN 15 2HB ASN 15 -6.799 -7.435 -9.324
106 HD21 ASN 15 1HD2 ASN 15 -8.218 -6.818 -10.962
107 HD22 ASN 15 2HD2 ASN 15 -9.155 -7.959 -11.869
108 H ASP 16 H ASP 16 -5.349 -7.297 -7.593
109 HA ASP 16 HA ASP 16 -2.873 -8.625 -8.218
110 HB2 ASP 16 1HB ASP 16 -4.085 -6.676 -9.966
111 HB3 ASP 16 2HB ASP 16 -2.691 -5.918 -9.224
112 H SER 17 H SER 17 -0.969 -7.181 -7.405
113 HA SER 17 HA SER 17 -1.764 -6.067 -4.908
114 HB2 SER 17 1HB SER 17 0.701 -5.805 -4.554
115 HB3 SER 17 2HB SER 17 0.246 -7.438 -4.995
116 HG SER 17 HG SER 17 2.134 -6.613 -6.168
117 H GLN 18 H GLN 18 -0.827 -4.951 -8.137
118 HA GLN 18 HA GLN 18 -0.056 -2.374 -7.402
119 HB2 GLN 18 1HB GLN 18 0.364 -3.595 -9.619
120 HB3 GLN 18 2HB GLN 18 -1.286 -3.205 -10.061
121 HG2 GLN 18 1HG GLN 18 -0.718 -0.743 -9.582
122 HG3 GLN 18 2HG GLN 18 0.957 -1.236 -9.433
123 HE21 GLN 18 1HE2 GLN 18 -1.230 0.042 -11.464
124 HE22 GLN 18 2HE2 GLN 18 -0.590 -0.408 -13.009
125 H LEU 19 H LEU 19 -3.127 -3.954 -7.437
126 HA LEU 19 HA LEU 19 -4.712 -1.677 -8.058
127 HB2 LEU 19 1HB LEU 19 -5.638 -3.788 -8.495
128 HB3 LEU 19 2HB LEU 19 -5.245 -4.399 -6.900
129 HG LEU 19 HG LEU 19 -6.939 -2.909 -5.902
130 HD11 LEU 19 1HD1 LEU 19 -8.287 -1.446 -7.078
131 HD12 LEU 19 2HD1 LEU 19 -6.715 -1.240 -7.888
132 HD13 LEU 19 3HD1 LEU 19 -7.979 -2.243 -8.640
133 HD21 LEU 19 3HD2 LEU 19 -8.795 -4.089 -7.691
134 HD22 LEU 19 1HD2 LEU 19 -7.402 -5.190 -7.568
135 HD23 LEU 19 2HD2 LEU 19 -8.262 -4.675 -6.097
136 H ALA 20 H ALA 20 -4.239 -3.499 -4.943
137 HA ALA 20 HA ALA 20 -5.377 -1.513 -3.362
138 HB1 ALA 20 3HB ALA 20 -3.981 -4.044 -3.059
139 HB2 ALA 20 1HB ALA 20 -3.455 -2.886 -1.814
140 HB3 ALA 20 2HB ALA 20 -5.182 -3.282 -1.989
141 H TRP 21 H TRP 21 -2.189 -1.827 -4.854
142 HA TRP 21 HA TRP 21 -0.868 -0.009 -3.124
143 HB2 TRP 21 1HB TRP 21 0.502 -1.515 -4.262
144 HB3 TRP 21 2HB TRP 21 -0.273 -1.220 -5.806
145 HD1 TRP 21 HD TRP 21 0.433 1.145 -7.075
146 HE1 TRP 21 1HE TRP 21 2.594 2.657 -7.000
147 HE3 TRP 21 3HE TRP 21 2.247 -0.751 -2.720
148 HZ2 TRP 21 2HZ TRP 21 4.771 2.885 -5.169
149 HZ3 TRP 21 3HZ TRP 21 4.396 0.171 -1.858
150 HH2 TRP 21 HH TRP 21 5.648 1.927 -3.007
151 H ASP 22 H ASP 22 -2.687 0.179 -6.230
152 HA ASP 22 HA ASP 22 -2.066 2.853 -6.711
153 HB2 ASP 22 1HB ASP 22 -3.598 0.763 -7.924
154 HB3 ASP 22 2HB ASP 22 -4.700 2.110 -7.718
155 H THR 23 H THR 23 -4.131 1.235 -4.433
156 HA THR 23 HA THR 23 -6.125 3.281 -4.217
157 HB THR 23 HB THR 23 -5.478 0.615 -3.088
158 HG1 THR 23 1HG THR 23 -7.958 0.883 -3.030
159 HG21 THR 23 3HG2 THR 23 -5.434 2.098 -0.989
160 HG22 THR 23 1HG2 THR 23 -7.090 2.599 -1.407
161 HG23 THR 23 2HG2 THR 23 -6.745 0.895 -1.024
162 H CYS 24 H CYS 24 -3.349 2.236 -2.125
163 HA CYS 24 HA CYS 24 -3.644 4.719 -0.669
164 HB2 CYS 24 1HB CYS 24 -3.128 3.310 0.970
165 HB3 CYS 24 2HB CYS 24 -2.533 2.088 -0.136
166 H SER 25 H SER 25 -0.866 2.848 -2.113
167 HA SER 25 HA SER 25 0.618 5.243 -2.404
168 HB2 SER 25 1HB SER 25 1.950 3.328 -3.907
169 HB3 SER 25 2HB SER 25 2.204 3.635 -2.201
170 HG SER 25 HG SER 25 1.297 1.756 -1.712
171 H GLY 26 H GLY 26 -1.614 5.890 -3.733
172 HA2 GLY 26 1HA GLY 26 -0.866 5.628 -6.581
173 HA3 GLY 26 2HA GLY 26 -2.522 5.434 -6.041
174 H GLY 27 H GLY 27 -0.856 7.679 -4.042
175 HA2 GLY 27 1HA GLY 27 -0.515 9.975 -4.302
176 HA3 GLY 27 2HA GLY 27 -1.517 9.978 -5.740
177 H THR 28 H THR 28 -3.746 8.412 -4.664
178 HA THR 28 HA THR 28 -4.693 10.149 -2.494
179 HB THR 28 HB THR 28 -6.866 10.336 -3.762
180 HG1 THR 28 1HG THR 28 -6.677 8.489 -5.121
181 HG21 THR 28 3HG2 THR 28 -5.567 12.257 -4.264
182 HG22 THR 28 1HG2 THR 28 -4.278 11.298 -5.029
183 HG23 THR 28 2HG2 THR 28 -5.820 11.554 -5.879
184 H GLY 29 H GLY 29 -7.307 9.037 -2.381
185 HA2 GLY 29 1HA GLY 29 -8.437 7.115 -1.852
186 HA3 GLY 29 2HA GLY 29 -6.991 6.164 -2.126
187 H ASN 30 H ASN 30 -6.719 5.027 -0.225
188 HA ASN 30 HA ASN 30 -6.945 6.549 2.232
189 HB2 ASN 30 1HB ASN 30 -6.902 4.267 3.325
190 HB3 ASN 30 2HB ASN 30 -8.224 4.450 2.189
191 HD21 ASN 30 1HD2 ASN 30 -8.460 2.329 1.709
192 HD22 ASN 30 2HD2 ASN 30 -7.308 1.380 0.831
193 H CYS 31 H CYS 31 -4.660 6.999 0.494
194 HA CYS 31 HA CYS 31 -2.478 5.403 0.977
195 HB2 CYS 31 1HB CYS 31 -1.252 7.001 -0.062
196 HB3 CYS 31 2HB CYS 31 -2.855 7.479 -0.584
197 H GLY 32 H GLY 32 -0.759 5.519 2.566
198 HA2 GLY 32 1HA GLY 32 -0.407 7.319 4.578
199 HA3 GLY 32 2HA GLY 32 -1.666 6.265 5.189
200 H THR 33 H THR 33 0.354 6.011 6.769
201 HA THR 33 HA THR 33 2.321 4.139 5.752
202 HB THR 33 HB THR 33 1.857 5.369 8.522
203 HG1 THR 33 1HG THR 33 2.501 7.054 7.191
204 HG21 THR 33 3HG2 THR 33 4.292 4.022 7.237
205 HG22 THR 33 1HG2 THR 33 4.309 4.889 8.792
206 HG23 THR 33 2HG2 THR 33 3.365 3.390 8.619
207 H VAL 34 H VAL 34 -0.869 3.919 6.793
208 HA VAL 34 HA VAL 34 -0.516 1.487 8.302
209 HB VAL 34 HB VAL 34 -2.858 3.153 7.408
210 HG11 VAL 34 1HG1 VAL 34 -3.480 0.755 7.219
211 HG12 VAL 34 2HG1 VAL 34 -3.025 0.527 8.925
212 HG13 VAL 34 3HG1 VAL 34 -4.377 1.605 8.501
213 HG21 VAL 34 3HG2 VAL 34 -1.532 2.520 10.047
214 HG22 VAL 34 1HG2 VAL 34 -1.853 4.105 9.303
215 HG23 VAL 34 2HG2 VAL 34 -3.197 3.144 9.966
216 H CYS 35 H CYS 35 -1.294 2.555 4.992
217 HA CYS 35 HA CYS 35 -2.354 0.149 4.082
218 HB2 CYS 35 1HB CYS 35 -2.638 1.335 2.243
219 HB3 CYS 35 2HB CYS 35 -1.810 2.668 3.023
220 H CYS 36 H CYS 36 0.854 1.126 5.046
221 HA CYS 36 HA CYS 36 2.458 -0.370 3.406
222 HB2 CYS 36 1HB CYS 36 2.845 0.106 6.369
223 HB3 CYS 36 2HB CYS 36 4.088 -0.347 5.220
224 H GLY 37 H GLY 37 1.688 -1.367 6.814
225 HA2 GLY 37 1HA GLY 37 1.927 -4.158 6.063
226 HA3 GLY 37 2HA GLY 37 1.718 -3.490 7.670
227 H GLN 38 H GLN 38 -0.241 -3.019 4.649
228 HA GLN 38 HA GLN 38 -2.479 -4.142 6.148
229 HB2 GLN 38 1HB GLN 38 -2.274 -1.524 5.342
230 HB3 GLN 38 2HB GLN 38 -3.087 -2.218 3.953
231 HG2 GLN 38 1HG GLN 38 -4.831 -1.529 5.455
232 HG3 GLN 38 2HG GLN 38 -4.763 -3.276 5.573
233 HE21 GLN 38 1HE2 GLN 38 -5.059 -0.546 7.300
234 HE22 GLN 38 2HE2 GLN 38 -4.426 -1.026 8.840
235 H CYS 39 H CYS 39 -0.752 -3.799 3.038
236 HA CYS 39 HA CYS 39 -2.275 -6.111 2.091
237 HB2 CYS 39 1HB CYS 39 -1.476 -3.693 0.459
238 HB3 CYS 39 2HB CYS 39 -2.096 -5.187 -0.213
239 H PHE 40 H PHE 40 0.690 -4.047 1.933
240 HA PHE 40 HA PHE 40 2.166 -6.414 1.026
241 HB2 PHE 40 1HB PHE 40 3.269 -3.587 1.078
242 HB3 PHE 40 2HB PHE 40 3.581 -4.851 -0.095
243 HD1 PHE 40 2HD PHE 40 1.176 -2.266 0.945
244 HD2 PHE 40 1HD PHE 40 2.209 -5.100 -2.039
245 HE1 PHE 40 2HE PHE 40 -0.486 -1.223 -0.620
246 HE2 PHE 40 1HE PHE 40 0.546 -4.058 -3.604
247 HZ PHE 40 HZ PHE 40 -0.781 -2.132 -2.876
248 H SER 41 H SER 41 4.649 -6.157 1.769
249 HA SER 41 HA SER 41 4.685 -5.238 4.517
250 HB2 SER 41 1HB SER 41 6.134 -7.494 4.843
251 HB3 SER 41 2HB SER 41 4.407 -7.433 5.135
252 HG SER 41 HG SER 41 5.440 -9.168 3.615
253 H PHE 42 H PHE 42 6.990 -5.059 5.362
254 HA PHE 42 HA PHE 42 8.584 -3.677 3.606
255 HB2 PHE 42 1HB PHE 42 8.525 -4.575 6.330
256 HB3 PHE 42 2HB PHE 42 10.058 -5.151 5.706
257 HD1 PHE 42 1HD PHE 42 7.999 -2.077 6.048
258 HD2 PHE 42 2HD PHE 42 11.886 -3.702 5.541
259 HE1 PHE 42 1HE PHE 42 8.997 0.200 6.395
260 HE2 PHE 42 2HE PHE 42 12.884 -1.425 5.888
261 HZ PHE 42 HZ PHE 42 11.427 0.499 6.311
262 HA PRO 43 HA PRO 43 10.690 -3.328 3.611
263 HB2 PRO 43 1HB PRO 43 12.308 -2.744 1.487
264 HB3 PRO 43 2HB PRO 43 12.906 -3.414 2.991
265 HG2 PRO 43 1HG PRO 43 12.518 -4.759 0.388
266 HG3 PRO 43 2HG PRO 43 13.490 -5.270 1.754
267 HD2 PRO 43 1HD PRO 43 10.927 -6.306 0.986
268 HD3 PRO 43 2HD PRO 43 11.846 -6.735 2.416
269 H VAL 44 H VAL 44 8.662 -4.652 1.542
270 HA VAL 44 HA VAL 44 8.231 -2.495 -0.244
271 HB VAL 44 HB VAL 44 6.152 -4.516 0.526
272 HG11 VAL 44 1HG1 VAL 44 5.839 -4.491 -1.996
273 HG12 VAL 44 2HG1 VAL 44 5.439 -2.980 -1.144
274 HG13 VAL 44 3HG1 VAL 44 6.974 -3.121 -2.035
275 HG21 VAL 44 3HG2 VAL 44 7.893 -6.031 0.396
276 HG22 VAL 44 1HG2 VAL 44 7.371 -5.960 -1.305
277 HG23 VAL 44 2HG2 VAL 44 8.807 -5.050 -0.775
278 H SER 45 H SER 45 6.979 -3.447 2.979
279 HA SER 45 HA SER 45 4.819 -1.809 3.109
280 HB2 SER 45 1HB SER 45 4.942 -3.119 4.990
281 HB3 SER 45 2HB SER 45 6.692 -3.050 5.057
282 HG SER 45 HG SER 45 6.495 -0.846 5.898
283 H GLN 46 H GLN 46 8.179 -0.965 2.852
284 HA GLN 46 HA GLN 46 7.812 1.606 4.074
285 HB2 GLN 46 1HB GLN 46 9.968 0.042 4.018
286 HB3 GLN 46 2HB GLN 46 10.265 0.841 2.488
287 HG2 GLN 46 1HG GLN 46 9.573 2.960 4.200
288 HG3 GLN 46 2HG GLN 46 10.515 1.900 5.230
289 HE21 GLN 46 1HE2 GLN 46 11.060 4.554 4.024
290 HE22 GLN 46 2HE2 GLN 46 12.565 4.413 3.179
291 H SER 47 H SER 47 7.610 0.087 0.921
292 HA SER 47 HA SER 47 8.093 2.453 -0.547
293 HB2 SER 47 1HB SER 47 6.613 -0.045 -1.471
294 HB3 SER 47 2HB SER 47 7.410 1.141 -2.486
295 HG SER 47 HG SER 47 8.765 -0.507 -0.525
296 H CYS 48 H CYS 48 5.237 0.724 0.771
297 HA CYS 48 HA CYS 48 3.243 1.994 -0.603
298 HB2 CYS 48 1HB CYS 48 2.442 0.295 0.674
299 HB3 CYS 48 2HB CYS 48 3.477 0.665 2.039
300 H ALA 49 H ALA 49 4.508 2.869 2.706
301 HA ALA 49 HA ALA 49 3.219 5.339 2.803
302 HB1 ALA 49 3HB ALA 49 3.914 4.904 4.905
303 HB2 ALA 49 1HB ALA 49 5.190 3.800 4.335
304 HB3 ALA 49 2HB ALA 49 5.494 5.553 4.404
305 H GLY 50 H GLY 50 5.875 4.242 0.894
306 HA2 GLY 50 1HA GLY 50 7.217 6.795 0.713
307 HA3 GLY 50 2HA GLY 50 7.561 5.333 -0.189
308 H MET 51 H MET 51 5.261 4.678 -1.513
309 HA MET 51 HA MET 51 5.096 6.854 -3.370
310 HB2 MET 51 1HB MET 51 5.357 4.352 -3.959
311 HB3 MET 51 2HB MET 51 3.703 4.122 -3.426
312 HG2 MET 51 1HG MET 51 3.122 4.606 -5.582
313 HG3 MET 51 2HG MET 51 3.424 6.278 -5.152
314 HE1 MET 51 3HE MET 51 4.194 7.257 -7.347
315 HE2 MET 51 1HE MET 51 5.281 7.698 -6.009
316 HE3 MET 51 2HE MET 51 5.956 7.270 -7.599
317 H ALA 52 H ALA 52 3.707 6.664 -0.530
318 HA ALA 52 HA ALA 52 0.929 6.904 -1.348
319 HB1 ALA 52 3HB ALA 52 2.302 7.003 1.369
320 HB2 ALA 52 1HB ALA 52 0.543 7.047 1.104
321 HB3 ALA 52 2HB ALA 52 1.475 5.598 0.655
322 H ASP 53 H ASP 53 2.815 8.836 -2.432
323 HA ASP 53 HA ASP 53 3.034 10.971 -2.736
324 HB2 ASP 53 1HB ASP 53 0.294 10.659 -1.739
325 HB3 ASP 53 2HB ASP 53 0.933 12.230 -1.296
326 H SER 54 H SER 54 3.490 13.146 -1.569
327 HA SER 54 HA SER 54 4.490 12.521 1.073
328 HB2 SER 54 1HB SER 54 5.343 14.228 -1.153
329 HB3 SER 54 2HB SER 54 5.325 15.121 0.355
330 HG SER 54 HG SER 54 7.198 13.408 -0.488
331 H ASN 55 H ASN 55 3.345 15.638 -0.396
332 HA ASN 55 HA ASN 55 1.670 15.930 1.972
333 HB2 ASN 55 1HB ASN 55 3.704 17.606 1.121
334 HB3 ASN 55 2HB ASN 55 2.326 18.352 0.337
335 HD21 ASN 55 1HD2 ASN 55 4.173 18.423 3.001
336 HD22 ASN 55 2HD2 ASN 55 3.077 19.060 4.181
337 H ASP 56 H ASP 56 1.727 15.309 -1.365
338 HA ASP 56 HA ASP 56 -0.402 16.952 -2.191
339 HB2 ASP 56 1HB ASP 56 1.479 15.372 -3.448
340 HB3 ASP 56 2HB ASP 56 0.058 14.358 -3.601
341 H CYS 57 H CYS 57 -0.104 14.056 -0.303
342 HA CYS 57 HA CYS 57 -2.637 12.947 -1.069
343 HB2 CYS 57 1HB CYS 57 -0.311 12.023 0.254
344 HB3 CYS 57 2HB CYS 57 -1.625 11.892 1.406
345 HA PRO 58 HA PRO 58 -4.927 15.130 1.925
346 HB2 PRO 58 1HB PRO 58 -7.013 13.429 2.401
347 HB3 PRO 58 2HB PRO 58 -6.930 14.476 0.997
348 HG2 PRO 58 1HG PRO 58 -6.487 11.557 1.162
349 HG3 PRO 58 2HG PRO 58 -6.827 12.538 -0.250
350 HD2 PRO 58 1HD PRO 58 -4.281 11.465 0.522
351 HD3 PRO 58 2HD PRO 58 -4.600 12.541 -0.824
352 H ASN 59 H ASN 59 -2.729 14.399 3.139
353 HA ASN 59 HA ASN 59 -3.559 12.803 5.394
354 HB2 ASN 59 1HB ASN 59 -0.847 14.014 4.638
355 HB3 ASN 59 2HB ASN 59 -1.108 12.989 6.036
356 HD21 ASN 59 1HD2 ASN 59 0.729 12.135 4.402
357 HD22 ASN 59 2HD2 ASN 59 0.222 10.803 3.418
358 H ALA 60 H ALA 60 -2.838 13.678 7.653
359 HA ALA 60 HA ALA 60 -2.267 16.387 8.027
360 HB1 ALA 60 3HB ALA 60 -4.266 17.430 8.075
361 HB2 ALA 60 1HB ALA 60 -4.917 16.002 7.235
362 HB3 ALA 60 2HB ALA 60 -5.015 16.112 9.009
Start of MODEL 17
1 H1 ASP 1 H ASP 1 10.635 -7.930 -6.395
2 HA ASP 1 HA ASP 1 8.509 -6.635 -7.249
3 HB2 ASP 1 1HB ASP 1 9.079 -8.986 -7.829
4 HB3 ASP 1 2HB ASP 1 8.546 -9.520 -6.247
5 H ILE 2 H ILE 2 6.496 -5.913 -6.423
6 HA ILE 2 HA ILE 2 6.204 -5.991 -3.564
7 HB ILE 2 HB ILE 2 4.704 -4.282 -3.813
8 HG12 ILE 2 1HG1 ILE 2 4.098 -5.149 -6.654
9 HG13 ILE 2 2HG1 ILE 2 3.133 -5.576 -5.255
10 HG21 ILE 2 1HG2 ILE 2 5.712 -2.683 -5.182
11 HG22 ILE 2 2HG2 ILE 2 7.018 -3.845 -4.846
12 HG23 ILE 2 3HG2 ILE 2 6.174 -3.884 -6.412
13 HD11 ILE 2 3HD1 ILE 2 3.584 -2.726 -5.180
14 HD12 ILE 2 1HD1 ILE 2 3.019 -3.169 -6.809
15 HD13 ILE 2 2HD1 ILE 2 2.045 -3.597 -5.382
16 H GLU 3 H GLU 3 4.596 -7.353 -6.481
17 HA GLU 3 HA GLU 3 2.386 -8.376 -5.255
18 HB2 GLU 3 1HB GLU 3 2.794 -8.332 -7.714
19 HB3 GLU 3 2HB GLU 3 3.992 -9.599 -7.542
20 HG2 GLU 3 1HG GLU 3 1.383 -10.254 -6.283
21 HG3 GLU 3 2HG GLU 3 1.282 -10.007 -8.015
22 H ASP 4 H ASP 4 5.753 -9.400 -5.066
23 HA ASP 4 HA ASP 4 5.198 -12.028 -4.230
24 HB2 ASP 4 1HB ASP 4 7.500 -10.378 -4.777
25 HB3 ASP 4 2HB ASP 4 7.715 -11.062 -3.178
26 H PHE 5 H PHE 5 4.787 -8.948 -2.804
27 HA PHE 5 HA PHE 5 4.943 -10.113 -0.112
28 HB2 PHE 5 1HB PHE 5 5.702 -7.437 -1.346
29 HB3 PHE 5 2HB PHE 5 5.133 -7.428 0.312
30 HD1 PHE 5 1HD PHE 5 7.797 -8.606 -1.931
31 HD2 PHE 5 2HD PHE 5 6.493 -8.286 2.095
32 HE1 PHE 5 1HE PHE 5 10.100 -9.211 -1.137
33 HE2 PHE 5 2HE PHE 5 8.796 -8.890 2.889
34 HZ PHE 5 HZ PHE 5 10.572 -9.346 1.264
35 H TYR 6 H TYR 6 2.753 -9.707 -2.362
36 HA TYR 6 HA TYR 6 0.931 -7.870 -1.140
37 HB2 TYR 6 1HB TYR 6 1.199 -8.575 -3.630
38 HB3 TYR 6 2HB TYR 6 0.553 -10.143 -3.186
39 HD1 TYR 6 2HD TYR 6 -0.741 -7.050 -1.652
40 HD2 TYR 6 1HD TYR 6 -1.324 -9.972 -4.722
41 HE1 TYR 6 2HE TYR 6 -3.103 -6.190 -2.032
42 HE2 TYR 6 1HE TYR 6 -3.684 -9.102 -5.092
43 HH TYR 6 HH TYR 6 -5.133 -6.840 -2.911
44 H THR 7 H THR 7 -0.399 -8.265 0.554
45 HA THR 7 HA THR 7 -0.907 -11.089 1.210
46 HB THR 7 HB THR 7 -0.924 -10.396 3.501
47 HG1 THR 7 1HG THR 7 -1.065 -7.707 2.327
48 HG21 THR 7 3HG2 THR 7 1.079 -9.034 3.858
49 HG22 THR 7 1HG2 THR 7 1.393 -10.091 2.461
50 HG23 THR 7 2HG2 THR 7 0.980 -8.378 2.206
51 H SER 8 H SER 8 -2.674 -11.485 -0.129
52 HA SER 8 HA SER 8 -4.812 -9.655 -0.225
53 HB2 SER 8 1HB SER 8 -4.028 -12.109 -1.525
54 HB3 SER 8 2HB SER 8 -5.676 -12.299 -0.960
55 HG SER 8 HG SER 8 -6.356 -10.960 -2.483
56 H GLU 9 H GLU 9 -3.705 -11.581 2.267
57 HA GLU 9 HA GLU 9 -6.177 -12.667 3.124
58 HB2 GLU 9 1HB GLU 9 -3.480 -13.081 3.731
59 HB3 GLU 9 2HB GLU 9 -4.098 -12.334 5.191
60 HG2 GLU 9 1HG GLU 9 -6.116 -14.157 4.550
61 HG3 GLU 9 2HG GLU 9 -4.667 -15.013 4.060
62 H THR 10 H THR 10 -4.101 -9.854 4.070
63 HA THR 10 HA THR 10 -6.259 -8.917 5.814
64 HB THR 10 HB THR 10 -4.116 -8.943 6.906
65 HG1 THR 10 1HG THR 10 -3.744 -6.550 6.965
66 HG21 THR 10 3HG2 THR 10 -2.383 -9.132 5.331
67 HG22 THR 10 1HG2 THR 10 -3.133 -7.960 4.221
68 HG23 THR 10 2HG2 THR 10 -2.289 -7.389 5.680
69 H CYS 11 H CYS 11 -4.741 -8.360 2.695
70 HA CYS 11 HA CYS 11 -5.465 -5.681 2.406
71 HB2 CYS 11 1HB CYS 11 -3.833 -6.954 1.001
72 HB3 CYS 11 2HB CYS 11 -5.183 -7.759 0.228
73 HA PRO 12 HA PRO 12 -9.769 -6.216 1.875
74 HB2 PRO 12 1HB PRO 12 -10.425 -3.712 1.000
75 HB3 PRO 12 2HB PRO 12 -10.203 -4.108 2.693
76 HG2 PRO 12 1HG PRO 12 -8.397 -2.623 0.884
77 HG3 PRO 12 2HG PRO 12 -8.406 -2.664 2.636
78 HD2 PRO 12 1HD PRO 12 -6.587 -4.041 0.897
79 HD3 PRO 12 2HD PRO 12 -6.671 -4.172 2.643
80 H TYR 13 H TYR 13 -7.692 -5.286 -0.692
81 HA TYR 13 HA TYR 13 -9.776 -6.124 -2.588
82 HB2 TYR 13 1HB TYR 13 -7.120 -4.602 -2.947
83 HB3 TYR 13 2HB TYR 13 -8.349 -4.796 -4.182
84 HD1 TYR 13 1HD TYR 13 -10.666 -3.736 -3.745
85 HD2 TYR 13 2HD TYR 13 -7.163 -2.747 -1.496
86 HE1 TYR 13 1HE TYR 13 -11.751 -1.562 -2.998
87 HE2 TYR 13 2HE TYR 13 -8.260 -0.576 -0.757
88 HH TYR 13 HH TYR 13 -11.070 0.616 -2.232
89 H LYS 14 H LYS 14 -8.588 -7.013 -4.731
90 HA LYS 14 HA LYS 14 -6.301 -8.646 -4.089
91 HB2 LYS 14 1HB LYS 14 -7.365 -10.771 -4.570
92 HB3 LYS 14 2HB LYS 14 -8.145 -10.003 -3.202
93 HG2 LYS 14 1HG LYS 14 -9.194 -9.770 -6.059
94 HG3 LYS 14 2HG LYS 14 -9.723 -11.017 -4.947
95 HD2 LYS 14 1HD LYS 14 -11.240 -9.567 -4.094
96 HD3 LYS 14 2HD LYS 14 -9.922 -8.584 -3.486
97 HE2 LYS 14 1HE LYS 14 -10.825 -6.975 -4.854
98 HE3 LYS 14 2HE LYS 14 -9.898 -7.786 -6.101
99 HZ1 LYS 14 3HZ LYS 14 -11.763 -8.913 -6.824
100 HZ2 LYS 14 1HZ LYS 14 -12.611 -8.661 -5.451
101 HZ3 LYS 14 2HZ LYS 14 -12.353 -7.427 -6.489
102 H ASN 15 H ASN 15 -7.284 -10.408 -6.471
103 HA ASN 15 HA ASN 15 -7.232 -10.400 -8.651
104 HB2 ASN 15 1HB ASN 15 -8.186 -7.743 -8.129
105 HB3 ASN 15 2HB ASN 15 -6.940 -7.578 -9.349
106 HD21 ASN 15 1HD2 ASN 15 -9.022 -6.861 -10.438
107 HD22 ASN 15 2HD2 ASN 15 -9.880 -8.047 -11.364
108 H ASP 16 H ASP 16 -5.427 -7.387 -7.640
109 HA ASP 16 HA ASP 16 -2.965 -8.700 -8.347
110 HB2 ASP 16 1HB ASP 16 -4.264 -6.752 -10.049
111 HB3 ASP 16 2HB ASP 16 -2.818 -6.015 -9.389
112 H SER 17 H SER 17 -1.060 -7.423 -7.470
113 HA SER 17 HA SER 17 -1.778 -6.214 -5.018
114 HB2 SER 17 1HB SER 17 0.201 -7.529 -4.976
115 HB3 SER 17 2HB SER 17 0.833 -6.800 -6.440
116 HG SER 17 HG SER 17 1.169 -6.013 -3.823
117 H GLN 18 H GLN 18 -0.847 -5.132 -8.271
118 HA GLN 18 HA GLN 18 -0.053 -2.560 -7.570
119 HB2 GLN 18 1HB GLN 18 0.312 -3.799 -9.786
120 HB3 GLN 18 2HB GLN 18 -1.342 -3.396 -10.200
121 HG2 GLN 18 1HG GLN 18 -0.800 -1.243 -10.709
122 HG3 GLN 18 2HG GLN 18 0.106 -1.035 -9.224
123 HE21 GLN 18 1HE2 GLN 18 0.673 -0.202 -11.980
124 HE22 GLN 18 2HE2 GLN 18 2.226 -0.846 -12.397
125 H LEU 19 H LEU 19 -3.144 -4.102 -7.537
126 HA LEU 19 HA LEU 19 -4.706 -1.800 -8.137
127 HB2 LEU 19 1HB LEU 19 -5.639 -3.924 -8.567
128 HB3 LEU 19 2HB LEU 19 -5.282 -4.507 -6.953
129 HG LEU 19 HG LEU 19 -6.960 -2.957 -6.015
130 HD11 LEU 19 1HD1 LEU 19 -8.153 -1.424 -7.196
131 HD12 LEU 19 2HD1 LEU 19 -6.668 -1.427 -8.177
132 HD13 LEU 19 3HD1 LEU 19 -8.087 -2.361 -8.708
133 HD21 LEU 19 3HD2 LEU 19 -8.295 -4.718 -6.175
134 HD22 LEU 19 1HD2 LEU 19 -8.822 -4.153 -7.779
135 HD23 LEU 19 2HD2 LEU 19 -7.445 -5.272 -7.638
136 H ALA 20 H ALA 20 -4.260 -3.652 -5.036
137 HA ALA 20 HA ALA 20 -5.326 -1.639 -3.439
138 HB1 ALA 20 3HB ALA 20 -3.490 -3.057 -1.868
139 HB2 ALA 20 1HB ALA 20 -5.204 -3.464 -2.123
140 HB3 ALA 20 2HB ALA 20 -3.951 -4.204 -3.149
141 H TRP 21 H TRP 21 -2.198 -1.995 -5.007
142 HA TRP 21 HA TRP 21 -0.810 -0.227 -3.249
143 HB2 TRP 21 1HB TRP 21 0.555 -1.758 -4.327
144 HB3 TRP 21 2HB TRP 21 -0.233 -1.543 -5.878
145 HD1 TRP 21 HD TRP 21 0.521 0.679 -7.323
146 HE1 TRP 21 1HE TRP 21 2.677 2.200 -7.338
147 HE3 TRP 21 3HE TRP 21 2.258 -0.833 -2.790
148 HZ2 TRP 21 2HZ TRP 21 4.819 2.592 -5.493
149 HZ3 TRP 21 3HZ TRP 21 4.389 0.168 -1.970
150 HH2 TRP 21 HH TRP 21 5.658 1.825 -3.242
151 H ASP 22 H ASP 22 -2.304 -0.027 -6.554
152 HA ASP 22 HA ASP 22 -1.698 2.640 -6.937
153 HB2 ASP 22 1HB ASP 22 -2.525 0.940 -8.654
154 HB3 ASP 22 2HB ASP 22 -4.135 1.128 -7.987
155 H THR 23 H THR 23 -3.848 1.084 -4.744
156 HA THR 23 HA THR 23 -5.887 3.113 -4.715
157 HB THR 23 HB THR 23 -5.247 0.512 -3.346
158 HG1 THR 23 1HG THR 23 -6.804 0.454 -4.985
159 HG21 THR 23 3HG2 THR 23 -7.358 2.436 -2.259
160 HG22 THR 23 1HG2 THR 23 -6.900 0.844 -1.607
161 HG23 THR 23 2HG2 THR 23 -5.777 2.219 -1.471
162 H CYS 24 H CYS 24 -3.239 2.102 -2.450
163 HA CYS 24 HA CYS 24 -3.671 4.519 -0.951
164 HB2 CYS 24 1HB CYS 24 -2.987 3.169 0.661
165 HB3 CYS 24 2HB CYS 24 -2.461 1.953 -0.486
166 H SER 25 H SER 25 -0.915 2.924 -2.730
167 HA SER 25 HA SER 25 0.551 5.344 -2.742
168 HB2 SER 25 1HB SER 25 2.225 4.089 -3.976
169 HB3 SER 25 2HB SER 25 1.592 3.060 -2.706
170 HG SER 25 HG SER 25 1.006 2.971 -5.530
171 H GLY 26 H GLY 26 -1.806 6.146 -3.779
172 HA2 GLY 26 1HA GLY 26 -1.264 6.380 -6.676
173 HA3 GLY 26 2HA GLY 26 -2.874 6.082 -6.053
174 H GLY 27 H GLY 27 -1.264 7.943 -3.736
175 HA2 GLY 27 1HA GLY 27 -0.940 10.234 -3.522
176 HA3 GLY 27 2HA GLY 27 -1.813 10.517 -5.015
177 H THR 28 H THR 28 -4.061 8.653 -4.278
178 HA THR 28 HA THR 28 -5.237 10.157 -2.044
179 HB THR 28 HB THR 28 -7.343 10.292 -3.426
180 HG1 THR 28 1HG THR 28 -7.042 9.635 -5.683
181 HG21 THR 28 3HG2 THR 28 -4.821 11.416 -4.752
182 HG22 THR 28 1HG2 THR 28 -6.477 11.862 -5.229
183 HG23 THR 28 2HG2 THR 28 -5.881 12.265 -3.601
184 H GLY 29 H GLY 29 -7.735 8.912 -2.024
185 HA2 GLY 29 1HA GLY 29 -8.785 6.905 -1.675
186 HA3 GLY 29 2HA GLY 29 -7.302 6.042 -2.032
187 H ASN 30 H ASN 30 -6.728 4.831 -0.278
188 HA ASN 30 HA ASN 30 -7.124 6.066 2.324
189 HB2 ASN 30 1HB ASN 30 -6.618 3.558 3.047
190 HB3 ASN 30 2HB ASN 30 -8.201 3.969 2.415
191 HD21 ASN 30 1HD2 ASN 30 -8.957 2.915 0.730
192 HD22 ASN 30 2HD2 ASN 30 -8.064 1.873 -0.328
193 H CYS 31 H CYS 31 -4.879 6.699 0.461
194 HA CYS 31 HA CYS 31 -2.593 5.262 0.934
195 HB2 CYS 31 1HB CYS 31 -1.471 6.951 -0.098
196 HB3 CYS 31 2HB CYS 31 -3.104 7.277 -0.645
197 H GLY 32 H GLY 32 -0.809 5.606 2.463
198 HA2 GLY 32 1HA GLY 32 -0.499 7.369 4.448
199 HA3 GLY 32 2HA GLY 32 -1.768 6.351 5.101
200 H THR 33 H THR 33 0.097 6.002 6.743
201 HA THR 33 HA THR 33 2.157 4.190 5.801
202 HB THR 33 HB THR 33 1.498 5.327 8.570
203 HG1 THR 33 1HG THR 33 2.050 6.897 6.867
204 HG21 THR 33 3HG2 THR 33 3.028 3.404 8.764
205 HG22 THR 33 1HG2 THR 33 3.995 3.999 7.393
206 HG23 THR 33 2HG2 THR 33 3.976 4.902 8.927
207 H VAL 34 H VAL 34 -1.090 3.902 6.632
208 HA VAL 34 HA VAL 34 -0.815 1.445 8.107
209 HB VAL 34 HB VAL 34 -3.180 2.929 6.948
210 HG11 VAL 34 1HG1 VAL 34 -3.833 1.046 9.052
211 HG12 VAL 34 2HG1 VAL 34 -4.518 1.205 7.417
212 HG13 VAL 34 3HG1 VAL 34 -3.061 0.217 7.679
213 HG21 VAL 34 3HG2 VAL 34 -1.704 3.033 9.513
214 HG22 VAL 34 1HG2 VAL 34 -2.689 4.273 8.700
215 HG23 VAL 34 2HG2 VAL 34 -3.478 2.992 9.651
216 H CYS 35 H CYS 35 -1.353 2.548 4.757
217 HA CYS 35 HA CYS 35 -2.253 0.115 3.741
218 HB2 CYS 35 1HB CYS 35 -2.529 1.402 1.973
219 HB3 CYS 35 2HB CYS 35 -1.632 2.691 2.752
220 H CYS 36 H CYS 36 0.849 1.247 4.896
221 HA CYS 36 HA CYS 36 2.607 -0.181 3.353
222 HB2 CYS 36 1HB CYS 36 2.797 0.371 6.322
223 HB3 CYS 36 2HB CYS 36 4.126 -0.090 5.278
224 H GLY 37 H GLY 37 1.766 -1.193 6.736
225 HA2 GLY 37 1HA GLY 37 2.130 -3.976 6.000
226 HA3 GLY 37 2HA GLY 37 1.868 -3.313 7.600
227 H GLN 38 H GLN 38 -0.022 -3.041 4.504
228 HA GLN 38 HA GLN 38 -2.271 -4.141 6.005
229 HB2 GLN 38 1HB GLN 38 -2.059 -1.583 4.848
230 HB3 GLN 38 2HB GLN 38 -3.031 -2.485 3.703
231 HG2 GLN 38 1HG GLN 38 -4.475 -1.420 5.402
232 HG3 GLN 38 2HG GLN 38 -4.586 -3.165 5.516
233 HE21 GLN 38 1HE2 GLN 38 -5.424 -1.958 7.636
234 HE22 GLN 38 2HE2 GLN 38 -4.309 -1.989 8.961
235 H CYS 39 H CYS 39 -1.113 -3.509 2.609
236 HA CYS 39 HA CYS 39 -2.219 -6.133 1.923
237 HB2 CYS 39 1HB CYS 39 -1.716 -3.767 0.106
238 HB3 CYS 39 2HB CYS 39 -2.359 -5.322 -0.385
239 H PHE 40 H PHE 40 0.602 -4.235 2.473
240 HA PHE 40 HA PHE 40 2.214 -6.292 1.156
241 HB2 PHE 40 1HB PHE 40 3.116 -3.396 1.315
242 HB3 PHE 40 2HB PHE 40 3.540 -4.598 0.112
243 HD1 PHE 40 2HD PHE 40 2.065 -5.037 -1.784
244 HD2 PHE 40 1HD PHE 40 1.090 -2.081 1.100
245 HE1 PHE 40 2HE PHE 40 0.356 -4.074 -3.349
246 HE2 PHE 40 1HE PHE 40 -0.619 -1.118 -0.465
247 HZ PHE 40 HZ PHE 40 -0.966 -2.126 -2.671
248 H SER 41 H SER 41 4.657 -5.948 1.937
249 HA SER 41 HA SER 41 4.663 -5.043 4.683
250 HB2 SER 41 1HB SER 41 5.083 -7.874 3.755
251 HB3 SER 41 2HB SER 41 6.105 -7.291 5.054
252 HG SER 41 HG SER 41 4.433 -7.263 6.422
253 H PHE 42 H PHE 42 6.948 -4.812 5.532
254 HA PHE 42 HA PHE 42 8.556 -3.483 3.746
255 HB2 PHE 42 1HB PHE 42 8.466 -4.284 6.502
256 HB3 PHE 42 2HB PHE 42 10.016 -4.857 5.918
257 HD1 PHE 42 1HD PHE 42 7.905 -1.803 6.108
258 HD2 PHE 42 2HD PHE 42 11.824 -3.388 5.743
259 HE1 PHE 42 1HE PHE 42 8.862 0.500 6.388
260 HE2 PHE 42 2HE PHE 42 12.781 -1.084 6.023
261 HZ PHE 42 HZ PHE 42 11.289 0.832 6.342
262 HA PRO 43 HA PRO 43 10.668 -3.125 3.782
263 HB2 PRO 43 1HB PRO 43 12.324 -2.610 1.670
264 HB3 PRO 43 2HB PRO 43 12.895 -3.224 3.209
265 HG2 PRO 43 1HG PRO 43 12.562 -4.662 0.648
266 HG3 PRO 43 2HG PRO 43 13.508 -5.122 2.049
267 HD2 PRO 43 1HD PRO 43 10.963 -6.193 1.270
268 HD3 PRO 43 2HD PRO 43 11.855 -6.567 2.731
269 H VAL 44 H VAL 44 8.671 -4.522 1.739
270 HA VAL 44 HA VAL 44 8.274 -2.444 -0.144
271 HB VAL 44 HB VAL 44 6.180 -4.424 0.690
272 HG11 VAL 44 1HG1 VAL 44 5.455 -2.990 -1.045
273 HG12 VAL 44 2HG1 VAL 44 7.013 -3.096 -1.899
274 HG13 VAL 44 3HG1 VAL 44 5.924 -4.504 -1.855
275 HG21 VAL 44 3HG2 VAL 44 7.847 -5.991 0.606
276 HG22 VAL 44 1HG2 VAL 44 7.459 -5.895 -1.129
277 HG23 VAL 44 2HG2 VAL 44 8.866 -5.017 -0.481
278 H SER 45 H SER 45 6.975 -3.246 3.102
279 HA SER 45 HA SER 45 4.819 -1.604 3.137
280 HB2 SER 45 1HB SER 45 4.866 -2.715 5.123
281 HB3 SER 45 2HB SER 45 6.614 -2.841 5.116
282 HG SER 45 HG SER 45 5.867 -1.528 6.886
283 H GLN 46 H GLN 46 8.168 -0.761 2.828
284 HA GLN 46 HA GLN 46 7.803 1.862 3.937
285 HB2 GLN 46 1HB GLN 46 9.950 0.893 4.355
286 HB3 GLN 46 2HB GLN 46 10.147 0.391 2.687
287 HG2 GLN 46 1HG GLN 46 11.526 2.331 2.913
288 HG3 GLN 46 2HG GLN 46 10.104 2.886 2.051
289 HE21 GLN 46 1HE2 GLN 46 9.547 4.818 2.676
290 HE22 GLN 46 2HE2 GLN 46 9.505 5.432 4.296
291 H SER 47 H SER 47 7.767 0.199 0.811
292 HA SER 47 HA SER 47 8.161 2.505 -0.740
293 HB2 SER 47 1HB SER 47 8.395 -0.005 -1.394
294 HB3 SER 47 2HB SER 47 6.659 0.018 -1.632
295 HG SER 47 HG SER 47 7.949 2.173 -2.863
296 H CYS 48 H CYS 48 5.309 0.787 0.612
297 HA CYS 48 HA CYS 48 3.318 1.998 -0.820
298 HB2 CYS 48 1HB CYS 48 2.487 0.348 0.484
299 HB3 CYS 48 2HB CYS 48 3.541 0.713 1.835
300 H ALA 49 H ALA 49 4.340 2.949 2.548
301 HA ALA 49 HA ALA 49 3.100 5.432 2.481
302 HB1 ALA 49 3HB ALA 49 5.067 5.805 4.294
303 HB2 ALA 49 1HB ALA 49 3.631 4.807 4.622
304 HB3 ALA 49 2HB ALA 49 5.158 4.034 4.134
305 H GLY 50 H GLY 50 5.934 4.269 0.854
306 HA2 GLY 50 1HA GLY 50 7.323 6.774 0.701
307 HA3 GLY 50 2HA GLY 50 7.646 5.309 -0.205
308 H MET 51 H MET 51 5.680 4.725 -1.824
309 HA MET 51 HA MET 51 5.604 6.924 -3.596
310 HB2 MET 51 1HB MET 51 5.772 4.472 -4.253
311 HB3 MET 51 2HB MET 51 4.133 4.230 -3.680
312 HG2 MET 51 1HG MET 51 4.073 4.553 -6.106
313 HG3 MET 51 2HG MET 51 3.317 5.936 -5.341
314 HE1 MET 51 3HE MET 51 5.954 5.600 -8.413
315 HE2 MET 51 1HE MET 51 7.303 5.400 -7.269
316 HE3 MET 51 2HE MET 51 5.879 4.337 -7.161
317 H ALA 52 H ALA 52 3.829 6.303 -0.842
318 HA ALA 52 HA ALA 52 1.229 6.977 -1.876
319 HB1 ALA 52 3HB ALA 52 2.457 6.234 0.754
320 HB2 ALA 52 1HB ALA 52 0.938 7.162 0.783
321 HB3 ALA 52 2HB ALA 52 1.006 5.591 -0.051
322 H ASP 53 H ASP 53 2.876 8.922 -2.821
323 HA ASP 53 HA ASP 53 3.268 11.055 -2.872
324 HB2 ASP 53 1HB ASP 53 0.587 10.751 -1.835
325 HB3 ASP 53 2HB ASP 53 1.311 12.140 -1.048
326 H SER 54 H SER 54 3.503 13.193 -1.294
327 HA SER 54 HA SER 54 4.793 12.177 1.116
328 HB2 SER 54 1HB SER 54 5.655 14.036 -0.973
329 HB3 SER 54 2HB SER 54 5.741 14.795 0.604
330 HG SER 54 HG SER 54 6.860 12.666 1.257
331 H ASN 55 H ASN 55 3.647 15.429 -0.050
332 HA ASN 55 HA ASN 55 2.183 15.610 2.465
333 HB2 ASN 55 1HB ASN 55 4.209 17.279 1.595
334 HB3 ASN 55 2HB ASN 55 2.812 18.120 0.954
335 HD21 ASN 55 1HD2 ASN 55 4.424 19.217 2.886
336 HD22 ASN 55 2HD2 ASN 55 3.570 19.366 4.386
337 H ASP 56 H ASP 56 1.975 15.236 -0.903
338 HA ASP 56 HA ASP 56 -0.151 16.996 -1.445
339 HB2 ASP 56 1HB ASP 56 1.253 14.735 -2.825
340 HB3 ASP 56 2HB ASP 56 -0.377 15.067 -3.376
341 H CYS 57 H CYS 57 0.242 13.644 -0.274
342 HA CYS 57 HA CYS 57 -2.325 12.715 -0.802
343 HB2 CYS 57 1HB CYS 57 0.018 11.811 0.567
344 HB3 CYS 57 2HB CYS 57 -1.366 11.540 1.606
345 HA PRO 58 HA PRO 58 -4.645 14.708 2.298
346 HB2 PRO 58 1HB PRO 58 -6.614 12.892 2.841
347 HB3 PRO 58 2HB PRO 58 -6.638 13.940 1.437
348 HG2 PRO 58 1HG PRO 58 -6.023 11.052 1.583
349 HG3 PRO 58 2HG PRO 58 -6.466 12.011 0.185
350 HD2 PRO 58 1HD PRO 58 -3.839 11.086 0.870
351 HD3 PRO 58 2HD PRO 58 -4.264 12.140 -0.464
352 H ASN 59 H ASN 59 -2.386 14.147 3.454
353 HA ASN 59 HA ASN 59 -2.837 12.353 5.611
354 HB2 ASN 59 1HB ASN 59 -0.589 14.258 4.829
355 HB3 ASN 59 2HB ASN 59 -0.559 13.441 6.379
356 HD21 ASN 59 1HD2 ASN 59 1.365 12.424 5.663
357 HD22 ASN 59 2HD2 ASN 59 1.328 11.030 4.635
358 H ALA 60 H ALA 60 -2.177 13.311 7.952
359 HA ALA 60 HA ALA 60 -2.828 14.557 9.663
360 HB1 ALA 60 3HB ALA 60 -2.672 17.092 9.254
361 HB2 ALA 60 1HB ALA 60 -1.208 16.134 8.927
362 HB3 ALA 60 2HB ALA 60 -2.234 16.680 7.578
Start of MODEL 18
1 H1 ASP 1 H ASP 1 10.526 -6.665 -7.055
2 HA ASP 1 HA ASP 1 8.151 -7.102 -7.504
3 HB2 ASP 1 1HB ASP 1 9.309 -9.169 -5.594
4 HB3 ASP 1 2HB ASP 1 8.268 -9.456 -6.975
5 H ILE 2 H ILE 2 6.465 -5.969 -6.429
6 HA ILE 2 HA ILE 2 6.238 -6.190 -3.560
7 HB ILE 2 HB ILE 2 4.880 -4.391 -3.663
8 HG12 ILE 2 1HG1 ILE 2 3.891 -5.286 -6.387
9 HG13 ILE 2 2HG1 ILE 2 3.062 -5.518 -4.861
10 HG21 ILE 2 1HG2 ILE 2 6.060 -4.006 -6.412
11 HG22 ILE 2 2HG2 ILE 2 5.756 -2.798 -5.140
12 HG23 ILE 2 3HG2 ILE 2 7.063 -3.991 -4.941
13 HD11 ILE 2 3HD1 ILE 2 3.213 -3.118 -6.554
14 HD12 ILE 2 1HD1 ILE 2 2.059 -3.519 -5.259
15 HD13 ILE 2 2HD1 ILE 2 3.625 -2.774 -4.857
16 H GLU 3 H GLU 3 4.744 -7.482 -6.533
17 HA GLU 3 HA GLU 3 2.441 -8.468 -5.442
18 HB2 GLU 3 1HB GLU 3 2.523 -10.129 -7.337
19 HB3 GLU 3 2HB GLU 3 2.790 -8.471 -7.837
20 HG2 GLU 3 1HG GLU 3 5.128 -8.801 -8.145
21 HG3 GLU 3 2HG GLU 3 5.158 -10.234 -7.137
22 H ASP 4 H ASP 4 5.786 -9.585 -5.136
23 HA ASP 4 HA ASP 4 5.115 -12.184 -4.295
24 HB2 ASP 4 1HB ASP 4 7.630 -10.514 -3.826
25 HB3 ASP 4 2HB ASP 4 7.511 -12.234 -3.509
26 H PHE 5 H PHE 5 4.569 -9.166 -2.923
27 HA PHE 5 HA PHE 5 4.684 -10.286 -0.215
28 HB2 PHE 5 1HB PHE 5 5.643 -7.683 -1.440
29 HB3 PHE 5 2HB PHE 5 4.941 -7.574 0.161
30 HD1 PHE 5 2HD PHE 5 6.030 -8.666 2.073
31 HD2 PHE 5 1HD PHE 5 7.783 -8.739 -1.791
32 HE1 PHE 5 2HE PHE 5 8.223 -9.352 3.081
33 HE2 PHE 5 1HE PHE 5 9.976 -9.426 -0.782
34 HZ PHE 5 HZ PHE 5 10.170 -9.724 1.642
35 H TYR 6 H TYR 6 2.557 -9.938 -2.461
36 HA TYR 6 HA TYR 6 0.779 -7.957 -1.402
37 HB2 TYR 6 1HB TYR 6 1.050 -8.822 -3.833
38 HB3 TYR 6 2HB TYR 6 0.376 -10.350 -3.302
39 HD1 TYR 6 1HD TYR 6 -0.939 -7.232 -1.887
40 HD2 TYR 6 2HD TYR 6 -1.432 -10.167 -4.961
41 HE1 TYR 6 1HE TYR 6 -3.283 -6.364 -2.351
42 HE2 TYR 6 2HE TYR 6 -3.774 -9.289 -5.414
43 HH TYR 6 HH TYR 6 -4.892 -6.865 -5.031
44 H THR 7 H THR 7 -0.415 -8.214 0.414
45 HA THR 7 HA THR 7 -1.090 -10.963 1.202
46 HB THR 7 HB THR 7 -1.071 -10.130 3.443
47 HG1 THR 7 1HG THR 7 -1.114 -7.506 2.124
48 HG21 THR 7 3HG2 THR 7 1.027 -9.054 3.733
49 HG22 THR 7 1HG2 THR 7 1.233 -9.854 2.156
50 HG23 THR 7 2HG2 THR 7 0.855 -8.116 2.230
51 H SER 8 H SER 8 -2.864 -11.352 -0.146
52 HA SER 8 HA SER 8 -4.948 -9.449 -0.282
53 HB2 SER 8 1HB SER 8 -4.415 -11.108 -2.091
54 HB3 SER 8 2HB SER 8 -4.947 -12.405 -1.039
55 HG SER 8 HG SER 8 -6.450 -10.666 -2.586
56 H GLU 9 H GLU 9 -3.897 -11.290 2.257
57 HA GLU 9 HA GLU 9 -6.382 -12.374 3.098
58 HB2 GLU 9 1HB GLU 9 -3.689 -12.776 3.748
59 HB3 GLU 9 2HB GLU 9 -4.333 -12.010 5.187
60 HG2 GLU 9 1HG GLU 9 -6.346 -13.795 4.684
61 HG3 GLU 9 2HG GLU 9 -4.997 -14.676 3.993
62 H THR 10 H THR 10 -4.366 -9.485 3.874
63 HA THR 10 HA THR 10 -6.567 -8.506 5.562
64 HB THR 10 HB THR 10 -4.531 -8.584 6.826
65 HG1 THR 10 1HG THR 10 -5.211 -6.475 7.142
66 HG21 THR 10 3HG2 THR 10 -3.290 -7.897 4.190
67 HG22 THR 10 1HG2 THR 10 -2.583 -7.074 5.601
68 HG23 THR 10 2HG2 THR 10 -2.625 -8.853 5.536
69 H CYS 11 H CYS 11 -4.852 -8.071 2.542
70 HA CYS 11 HA CYS 11 -5.402 -5.361 2.175
71 HB2 CYS 11 1HB CYS 11 -3.772 -6.728 0.875
72 HB3 CYS 11 2HB CYS 11 -5.116 -7.503 0.059
73 HA PRO 12 HA PRO 12 -9.693 -5.644 1.412
74 HB2 PRO 12 1HB PRO 12 -10.143 -3.140 0.413
75 HB3 PRO 12 2HB PRO 12 -10.034 -3.482 2.129
76 HG2 PRO 12 1HG PRO 12 -8.046 -2.183 0.369
77 HG3 PRO 12 2HG PRO 12 -8.148 -2.155 2.118
78 HD2 PRO 12 1HD PRO 12 -6.334 -3.708 0.530
79 HD3 PRO 12 2HD PRO 12 -6.515 -3.766 2.272
80 H TYR 13 H TYR 13 -7.372 -5.258 -1.001
81 HA TYR 13 HA TYR 13 -9.428 -5.827 -3.027
82 HB2 TYR 13 1HB TYR 13 -6.525 -4.869 -3.349
83 HB3 TYR 13 2HB TYR 13 -7.788 -4.785 -4.561
84 HD1 TYR 13 2HD TYR 13 -9.684 -3.144 -4.267
85 HD2 TYR 13 1HD TYR 13 -6.231 -3.126 -1.741
86 HE1 TYR 13 2HE TYR 13 -10.234 -0.777 -3.520
87 HE2 TYR 13 1HE TYR 13 -6.792 -0.758 -1.003
88 HH TYR 13 HH TYR 13 -8.950 0.612 -0.845
89 H LYS 14 H LYS 14 -9.098 -7.550 -4.500
90 HA LYS 14 HA LYS 14 -6.769 -9.233 -3.965
91 HB2 LYS 14 1HB LYS 14 -8.038 -11.196 -3.672
92 HB3 LYS 14 2HB LYS 14 -8.773 -10.003 -2.620
93 HG2 LYS 14 1HG LYS 14 -9.776 -10.695 -5.422
94 HG3 LYS 14 2HG LYS 14 -10.460 -11.327 -3.937
95 HD2 LYS 14 1HD LYS 14 -11.817 -9.508 -3.895
96 HD3 LYS 14 2HD LYS 14 -10.405 -8.550 -3.498
97 HE2 LYS 14 1HE LYS 14 -11.356 -7.501 -5.434
98 HE3 LYS 14 2HE LYS 14 -9.950 -8.365 -6.022
99 HZ1 LYS 14 3HZ LYS 14 -11.334 -10.105 -6.785
100 HZ2 LYS 14 1HZ LYS 14 -12.663 -9.486 -6.067
101 HZ3 LYS 14 2HZ LYS 14 -11.982 -8.710 -7.332
102 H ASN 15 H ASN 15 -7.393 -7.262 -6.063
103 HA ASN 15 HA ASN 15 -7.975 -9.009 -8.298
104 HB2 ASN 15 1HB ASN 15 -8.819 -6.446 -7.765
105 HB3 ASN 15 2HB ASN 15 -7.398 -6.091 -8.726
106 HD21 ASN 15 1HD2 ASN 15 -10.211 -8.272 -8.673
107 HD22 ASN 15 2HD2 ASN 15 -10.565 -8.218 -10.367
108 H ASP 16 H ASP 16 -5.557 -6.635 -7.002
109 HA ASP 16 HA ASP 16 -3.446 -8.108 -8.155
110 HB2 ASP 16 1HB ASP 16 -4.559 -6.251 -9.877
111 HB3 ASP 16 2HB ASP 16 -3.332 -5.278 -9.090
112 H SER 17 H SER 17 -1.317 -7.212 -7.372
113 HA SER 17 HA SER 17 -1.634 -6.002 -4.847
114 HB2 SER 17 1HB SER 17 0.861 -6.141 -4.762
115 HB3 SER 17 2HB SER 17 0.115 -7.662 -5.207
116 HG SER 17 HG SER 17 2.048 -6.583 -6.519
117 H GLN 18 H GLN 18 -0.698 -4.933 -8.125
118 HA GLN 18 HA GLN 18 0.341 -2.459 -7.267
119 HB2 GLN 18 1HB GLN 18 0.646 -3.823 -9.528
120 HB3 GLN 18 2HB GLN 18 -0.755 -2.908 -10.047
121 HG2 GLN 18 1HG GLN 18 1.343 -1.278 -8.699
122 HG3 GLN 18 2HG GLN 18 1.857 -2.011 -10.205
123 HE21 GLN 18 1HE2 GLN 18 -0.402 0.155 -8.657
124 HE22 GLN 18 2HE2 GLN 18 -0.963 0.983 -10.071
125 H LEU 19 H LEU 19 -2.873 -3.742 -7.911
126 HA LEU 19 HA LEU 19 -4.161 -1.323 -8.509
127 HB2 LEU 19 1HB LEU 19 -5.332 -3.204 -9.106
128 HB3 LEU 19 2HB LEU 19 -4.977 -4.048 -7.611
129 HG LEU 19 HG LEU 19 -7.366 -3.399 -7.895
130 HD11 LEU 19 1HD1 LEU 19 -7.690 -3.127 -5.655
131 HD12 LEU 19 2HD1 LEU 19 -5.975 -3.603 -5.643
132 HD13 LEU 19 3HD1 LEU 19 -6.423 -1.886 -5.502
133 HD21 LEU 19 3HD2 LEU 19 -7.666 -1.377 -8.836
134 HD22 LEU 19 1HD2 LEU 19 -7.598 -0.802 -7.152
135 HD23 LEU 19 2HD2 LEU 19 -6.147 -0.722 -8.180
136 H ALA 20 H ALA 20 -4.012 -3.202 -5.397
137 HA ALA 20 HA ALA 20 -5.212 -1.206 -3.870
138 HB1 ALA 20 3HB ALA 20 -3.212 -3.353 -3.051
139 HB2 ALA 20 1HB ALA 20 -4.328 -2.488 -1.967
140 HB3 ALA 20 2HB ALA 20 -4.970 -3.584 -3.214
141 H TRP 21 H TRP 21 -1.860 -1.711 -4.982
142 HA TRP 21 HA TRP 21 -0.671 0.114 -3.191
143 HB2 TRP 21 1HB TRP 21 0.779 -1.417 -4.147
144 HB3 TRP 21 2HB TRP 21 0.131 -1.200 -5.761
145 HD1 TRP 21 HD TRP 21 0.857 1.240 -6.994
146 HE1 TRP 21 1HE TRP 21 3.070 2.672 -6.873
147 HE3 TRP 21 3HE TRP 21 2.565 -0.803 -2.662
148 HZ2 TRP 21 2HZ TRP 21 5.237 2.788 -5.020
149 HZ3 TRP 21 3HZ TRP 21 4.738 0.026 -1.765
150 HH2 TRP 21 HH TRP 21 6.061 1.758 -2.870
151 H ASP 22 H ASP 22 -2.239 0.330 -6.418
152 HA ASP 22 HA ASP 22 -1.436 2.923 -6.971
153 HB2 ASP 22 1HB ASP 22 -2.907 0.949 -8.248
154 HB3 ASP 22 2HB ASP 22 -4.155 2.125 -7.891
155 H THR 23 H THR 23 -3.541 1.629 -4.573
156 HA THR 23 HA THR 23 -5.268 3.973 -4.467
157 HB THR 23 HB THR 23 -5.260 1.159 -3.488
158 HG1 THR 23 1HG THR 23 -6.705 2.175 -5.100
159 HG21 THR 23 3HG2 THR 23 -7.131 2.090 -1.789
160 HG22 THR 23 1HG2 THR 23 -5.446 1.873 -1.258
161 HG23 THR 23 2HG2 THR 23 -6.032 3.488 -1.723
162 H CYS 24 H CYS 24 -3.359 2.162 -1.969
163 HA CYS 24 HA CYS 24 -3.228 4.424 -0.318
164 HB2 CYS 24 1HB CYS 24 -2.893 2.669 1.015
165 HB3 CYS 24 2HB CYS 24 -2.279 1.664 -0.283
166 H SER 25 H SER 25 -0.585 2.652 -2.103
167 HA SER 25 HA SER 25 1.096 4.927 -1.898
168 HB2 SER 25 1HB SER 25 2.256 3.193 -3.767
169 HB3 SER 25 2HB SER 25 2.586 3.233 -2.046
170 HG SER 25 HG SER 25 1.111 1.570 -1.681
171 H GLY 26 H GLY 26 -1.053 5.994 -3.091
172 HA2 GLY 26 1HA GLY 26 -0.263 6.229 -5.929
173 HA3 GLY 26 2HA GLY 26 -1.941 6.067 -5.449
174 H GLY 27 H GLY 27 -2.852 8.055 -5.862
175 HA2 GLY 27 1HA GLY 27 -1.393 10.444 -4.939
176 HA3 GLY 27 2HA GLY 27 -2.640 10.398 -6.169
177 H THR 28 H THR 28 -4.521 8.651 -4.775
178 HA THR 28 HA THR 28 -5.141 10.177 -2.353
179 HB THR 28 HB THR 28 -7.484 10.466 -3.201
180 HG1 THR 28 1HG THR 28 -7.785 9.819 -5.459
181 HG21 THR 28 3HG2 THR 28 -5.265 11.476 -5.050
182 HG22 THR 28 1HG2 THR 28 -6.966 11.971 -5.217
183 HG23 THR 28 2HG2 THR 28 -6.063 12.375 -3.738
184 H GLY 29 H GLY 29 -7.717 8.968 -1.985
185 HA2 GLY 29 1HA GLY 29 -8.699 6.900 -1.615
186 HA3 GLY 29 2HA GLY 29 -7.184 6.093 -1.971
187 H ASN 30 H ASN 30 -6.192 5.174 -0.236
188 HA ASN 30 HA ASN 30 -6.464 6.589 2.294
189 HB2 ASN 30 1HB ASN 30 -6.311 4.078 3.235
190 HB3 ASN 30 2HB ASN 30 -7.856 4.769 2.782
191 HD21 ASN 30 1HD2 ASN 30 -5.701 2.251 2.344
192 HD22 ASN 30 2HD2 ASN 30 -6.371 1.506 0.931
193 H CYS 31 H CYS 31 -4.257 7.351 1.296
194 HA CYS 31 HA CYS 31 -2.197 5.349 1.282
195 HB2 CYS 31 1HB CYS 31 -0.780 6.983 0.409
196 HB3 CYS 31 2HB CYS 31 -2.340 7.287 -0.330
197 H GLY 32 H GLY 32 -0.611 5.085 2.907
198 HA2 GLY 32 1HA GLY 32 0.001 6.899 4.920
199 HA3 GLY 32 2HA GLY 32 -1.299 5.896 5.532
200 H THR 33 H THR 33 0.798 5.508 7.018
201 HA THR 33 HA THR 33 2.608 3.558 5.881
202 HB THR 33 HB THR 33 2.290 4.717 8.701
203 HG1 THR 33 1HG THR 33 3.432 6.368 7.754
204 HG21 THR 33 3HG2 THR 33 4.703 4.068 8.910
205 HG22 THR 33 1HG2 THR 33 3.670 2.636 8.686
206 HG23 THR 33 2HG2 THR 33 4.615 3.273 7.319
207 H VAL 34 H VAL 34 -0.559 3.453 6.969
208 HA VAL 34 HA VAL 34 -0.381 1.059 8.511
209 HB VAL 34 HB VAL 34 -2.673 2.530 7.201
210 HG11 VAL 34 1HG1 VAL 34 -2.972 0.413 9.334
211 HG12 VAL 34 2HG1 VAL 34 -4.211 1.111 8.264
212 HG13 VAL 34 3HG1 VAL 34 -2.988 0.000 7.603
213 HG21 VAL 34 3HG2 VAL 34 -1.355 3.622 9.104
214 HG22 VAL 34 1HG2 VAL 34 -3.116 3.479 9.320
215 HG23 VAL 34 2HG2 VAL 34 -2.022 2.346 10.150
216 H CYS 35 H CYS 35 -1.077 1.938 5.090
217 HA CYS 35 HA CYS 35 -1.852 -0.619 4.293
218 HB2 CYS 35 1HB CYS 35 -2.282 0.455 2.416
219 HB3 CYS 35 2HB CYS 35 -1.586 1.903 3.116
220 H CYS 36 H CYS 36 1.151 0.654 5.388
221 HA CYS 36 HA CYS 36 3.005 -0.575 3.787
222 HB2 CYS 36 1HB CYS 36 4.540 -0.029 5.369
223 HB3 CYS 36 2HB CYS 36 3.231 1.040 5.832
224 H GLY 37 H GLY 37 1.359 -1.796 6.795
225 HA2 GLY 37 1HA GLY 37 2.156 -4.533 6.007
226 HA3 GLY 37 2HA GLY 37 1.916 -3.986 7.654
227 H GLN 38 H GLN 38 -0.126 -3.202 4.780
228 HA GLN 38 HA GLN 38 -2.254 -4.709 6.093
229 HB2 GLN 38 1HB GLN 38 -2.302 -2.044 5.967
230 HB3 GLN 38 2HB GLN 38 -2.861 -2.334 4.332
231 HG2 GLN 38 1HG GLN 38 -4.858 -2.218 5.629
232 HG3 GLN 38 2HG GLN 38 -4.616 -3.932 5.354
233 HE21 GLN 38 1HE2 GLN 38 -5.733 -4.576 7.142
234 HE22 GLN 38 2HE2 GLN 38 -5.170 -4.377 8.767
235 H CYS 39 H CYS 39 -0.917 -3.452 2.977
236 HA CYS 39 HA CYS 39 -2.365 -5.618 1.639
237 HB2 CYS 39 1HB CYS 39 -2.532 -2.983 1.067
238 HB3 CYS 39 2HB CYS 39 -1.188 -3.423 0.032
239 H PHE 40 H PHE 40 0.725 -4.116 2.467
240 HA PHE 40 HA PHE 40 2.072 -6.331 1.113
241 HB2 PHE 40 1HB PHE 40 3.312 -3.563 1.310
242 HB3 PHE 40 2HB PHE 40 3.612 -4.799 0.105
243 HD1 PHE 40 2HD PHE 40 1.313 -2.125 1.141
244 HD2 PHE 40 1HD PHE 40 2.262 -4.954 -1.876
245 HE1 PHE 40 2HE PHE 40 -0.254 -0.965 -0.439
246 HE2 PHE 40 1HE PHE 40 0.695 -3.794 -3.457
247 HZ PHE 40 HZ PHE 40 -0.544 -1.813 -2.719
248 H SER 41 H SER 41 4.673 -5.872 1.856
249 HA SER 41 HA SER 41 4.689 -5.206 4.646
250 HB2 SER 41 1HB SER 41 4.546 -7.331 5.396
251 HB3 SER 41 2HB SER 41 4.491 -7.949 3.757
252 HG SER 41 HG SER 41 6.846 -7.870 3.715
253 H PHE 42 H PHE 42 6.971 -5.094 5.497
254 HA PHE 42 HA PHE 42 8.652 -3.813 3.734
255 HB2 PHE 42 1HB PHE 42 8.491 -4.597 6.481
256 HB3 PHE 42 2HB PHE 42 10.004 -5.284 5.924
257 HD1 PHE 42 2HD PHE 42 8.121 -2.063 5.870
258 HD2 PHE 42 1HD PHE 42 11.910 -3.972 5.966
259 HE1 PHE 42 2HE PHE 42 9.237 0.167 6.153
260 HE2 PHE 42 1HE PHE 42 13.026 -1.742 6.250
261 HZ PHE 42 HZ PHE 42 11.677 0.301 6.340
262 HA PRO 43 HA PRO 43 10.791 -3.563 3.825
263 HB2 PRO 43 1HB PRO 43 12.516 -3.107 1.755
264 HB3 PRO 43 2HB PRO 43 13.022 -3.772 3.296
265 HG2 PRO 43 1HG PRO 43 12.667 -5.154 0.707
266 HG3 PRO 43 2HG PRO 43 13.558 -5.683 2.120
267 HD2 PRO 43 1HD PRO 43 10.978 -6.607 1.273
268 HD3 PRO 43 2HD PRO 43 11.818 -7.048 2.747
269 H VAL 44 H VAL 44 8.737 -4.809 1.765
270 HA VAL 44 HA VAL 44 8.497 -2.696 -0.112
271 HB VAL 44 HB VAL 44 6.271 -4.551 0.656
272 HG11 VAL 44 1HG1 VAL 44 6.153 -4.620 -1.929
273 HG12 VAL 44 2HG1 VAL 44 5.644 -3.130 -1.097
274 HG13 VAL 44 3HG1 VAL 44 7.245 -3.215 -1.870
275 HG21 VAL 44 3HG2 VAL 44 7.679 -5.968 -1.250
276 HG22 VAL 44 1HG2 VAL 44 8.967 -5.348 -0.190
277 HG23 VAL 44 2HG2 VAL 44 7.643 -6.321 0.494
278 H SER 45 H SER 45 7.079 -3.473 3.092
279 HA SER 45 HA SER 45 5.026 -1.710 3.117
280 HB2 SER 45 1HB SER 45 4.957 -2.801 5.105
281 HB3 SER 45 2HB SER 45 6.683 -3.103 5.093
282 HG SER 45 HG SER 45 6.239 -1.763 6.868
283 H GLN 46 H GLN 46 8.460 -1.071 3.001
284 HA GLN 46 HA GLN 46 8.285 1.515 4.158
285 HB2 GLN 46 1HB GLN 46 10.340 -0.152 3.910
286 HB3 GLN 46 2HB GLN 46 10.553 0.642 2.363
287 HG2 GLN 46 1HG GLN 46 10.174 2.823 4.017
288 HG3 GLN 46 2HG GLN 46 10.968 1.711 5.115
289 HE21 GLN 46 1HE2 GLN 46 12.419 3.747 4.763
290 HE22 GLN 46 2HE2 GLN 46 13.710 3.556 3.624
291 H SER 47 H SER 47 8.006 0.074 0.923
292 HA SER 47 HA SER 47 8.320 2.547 -0.420
293 HB2 SER 47 1HB SER 47 6.929 0.128 -1.598
294 HB3 SER 47 2HB SER 47 7.928 1.317 -2.412
295 HG SER 47 HG SER 47 8.766 -0.797 -0.633
296 H CYS 48 H CYS 48 5.614 0.545 0.821
297 HA CYS 48 HA CYS 48 3.519 1.730 -0.482
298 HB2 CYS 48 1HB CYS 48 2.865 -0.094 0.705
299 HB3 CYS 48 2HB CYS 48 3.869 0.290 2.090
300 H ALA 49 H ALA 49 5.141 2.645 2.638
301 HA ALA 49 HA ALA 49 3.537 4.967 2.977
302 HB1 ALA 49 3HB ALA 49 6.006 3.794 4.265
303 HB2 ALA 49 1HB ALA 49 5.465 5.437 4.682
304 HB3 ALA 49 2HB ALA 49 4.387 4.048 4.960
305 H GLY 50 H GLY 50 6.392 4.130 1.121
306 HA2 GLY 50 1HA GLY 50 7.481 6.769 0.945
307 HA3 GLY 50 2HA GLY 50 7.887 5.374 -0.035
308 H MET 51 H MET 51 5.568 4.646 -1.312
309 HA MET 51 HA MET 51 5.225 6.896 -3.059
310 HB2 MET 51 1HB MET 51 5.612 4.390 -3.714
311 HB3 MET 51 2HB MET 51 3.939 4.126 -3.266
312 HG2 MET 51 1HG MET 51 3.978 4.534 -5.656
313 HG3 MET 51 2HG MET 51 3.270 5.950 -4.907
314 HE1 MET 51 3HE MET 51 3.678 7.883 -5.210
315 HE2 MET 51 1HE MET 51 5.261 8.689 -5.104
316 HE3 MET 51 2HE MET 51 4.534 8.363 -6.695
317 H ALA 52 H ALA 52 4.001 6.796 -0.259
318 HA ALA 52 HA ALA 52 1.171 6.591 -0.823
319 HB1 ALA 52 3HB ALA 52 0.998 6.297 1.413
320 HB2 ALA 52 1HB ALA 52 2.771 6.147 1.399
321 HB3 ALA 52 2HB ALA 52 2.014 7.716 1.764
322 H ASP 53 H ASP 53 2.397 8.483 -2.499
323 HA ASP 53 HA ASP 53 2.279 10.545 -3.159
324 HB2 ASP 53 1HB ASP 53 -0.195 10.052 -2.566
325 HB3 ASP 53 2HB ASP 53 0.069 10.983 -1.105
326 H SER 54 H SER 54 2.318 13.013 -2.332
327 HA SER 54 HA SER 54 3.984 12.990 0.044
328 HB2 SER 54 1HB SER 54 3.931 14.536 -2.479
329 HB3 SER 54 2HB SER 54 4.169 15.541 -1.063
330 HG SER 54 HG SER 54 6.126 14.683 -0.721
331 H ASN 55 H ASN 55 2.214 15.796 -1.342
332 HA ASN 55 HA ASN 55 0.771 15.937 1.187
333 HB2 ASN 55 1HB ASN 55 2.516 17.817 0.096
334 HB3 ASN 55 2HB ASN 55 0.967 18.415 -0.463
335 HD21 ASN 55 1HD2 ASN 55 -0.289 19.521 0.863
336 HD22 ASN 55 2HD2 ASN 55 -0.062 19.723 2.568
337 H ASP 56 H ASP 56 0.576 15.340 -2.160
338 HA ASP 56 HA ASP 56 -1.805 16.727 -2.735
339 HB2 ASP 56 1HB ASP 56 -0.556 14.283 -4.079
340 HB3 ASP 56 2HB ASP 56 -1.841 15.255 -4.769
341 H CYS 57 H CYS 57 -1.133 14.165 -0.665
342 HA CYS 57 HA CYS 57 -3.364 12.496 -1.345
343 HB2 CYS 57 1HB CYS 57 -0.983 12.203 0.134
344 HB3 CYS 57 2HB CYS 57 -2.288 12.017 1.289
345 HA PRO 58 HA PRO 58 -6.195 14.533 1.263
346 HB2 PRO 58 1HB PRO 58 -7.884 12.514 1.998
347 HB3 PRO 58 2HB PRO 58 -7.970 13.317 0.443
348 HG2 PRO 58 1HG PRO 58 -6.916 10.631 1.085
349 HG3 PRO 58 2HG PRO 58 -7.400 11.277 -0.470
350 HD2 PRO 58 1HD PRO 58 -4.717 10.925 0.482
351 HD3 PRO 58 2HD PRO 58 -5.205 11.677 -1.024
352 H ASN 59 H ASN 59 -3.950 14.514 2.596
353 HA ASN 59 HA ASN 59 -4.615 13.237 5.115
354 HB2 ASN 59 1HB ASN 59 -2.062 14.198 3.808
355 HB3 ASN 59 2HB ASN 59 -2.119 14.187 5.559
356 HD21 ASN 59 1HD2 ASN 59 -2.195 12.294 6.687
357 HD22 ASN 59 2HD2 ASN 59 -1.953 10.730 5.982
358 H ALA 60 H ALA 60 -3.824 14.667 7.119
359 HA ALA 60 HA ALA 60 -4.368 16.439 8.357
360 HB1 ALA 60 3HB ALA 60 -2.678 17.896 8.068
361 HB2 ALA 60 1HB ALA 60 -2.302 17.050 6.548
362 HB3 ALA 60 2HB ALA 60 -3.365 18.478 6.533
Start of MODEL 19
1 H1 ASP 1 H ASP 1 10.511 -6.491 -7.271
2 HA ASP 1 HA ASP 1 8.152 -6.405 -7.651
3 HB2 ASP 1 1HB ASP 1 8.861 -9.068 -6.345
4 HB3 ASP 1 2HB ASP 1 7.699 -8.804 -7.630
5 H ILE 2 H ILE 2 6.286 -5.755 -6.567
6 HA ILE 2 HA ILE 2 6.192 -6.105 -3.694
7 HB ILE 2 HB ILE 2 4.781 -4.347 -3.650
8 HG12 ILE 2 1HG1 ILE 2 3.682 -5.236 -6.330
9 HG13 ILE 2 2HG1 ILE 2 2.915 -5.400 -4.764
10 HG21 ILE 2 1HG2 ILE 2 5.663 -3.643 -6.417
11 HG22 ILE 2 2HG2 ILE 2 5.671 -2.673 -4.925
12 HG23 ILE 2 3HG2 ILE 2 6.903 -3.933 -5.174
13 HD11 ILE 2 3HD1 ILE 2 1.887 -3.435 -5.337
14 HD12 ILE 2 1HD1 ILE 2 3.409 -2.697 -4.783
15 HD13 ILE 2 2HD1 ILE 2 3.150 -3.007 -6.516
16 H GLU 3 H GLU 3 4.646 -7.292 -6.683
17 HA GLU 3 HA GLU 3 2.410 -8.410 -5.594
18 HB2 GLU 3 1HB GLU 3 2.511 -9.988 -7.557
19 HB3 GLU 3 2HB GLU 3 2.717 -8.304 -7.993
20 HG2 GLU 3 1HG GLU 3 5.221 -8.638 -7.966
21 HG3 GLU 3 2HG GLU 3 4.966 -10.338 -7.623
22 H ASP 4 H ASP 4 5.795 -9.421 -5.387
23 HA ASP 4 HA ASP 4 5.230 -12.075 -4.646
24 HB2 ASP 4 1HB ASP 4 7.546 -10.386 -5.077
25 HB3 ASP 4 2HB ASP 4 7.738 -11.200 -3.537
26 H PHE 5 H PHE 5 4.794 -9.051 -3.121
27 HA PHE 5 HA PHE 5 4.896 -10.316 -0.474
28 HB2 PHE 5 1HB PHE 5 5.773 -7.621 -1.582
29 HB3 PHE 5 2HB PHE 5 5.175 -7.658 0.065
30 HD1 PHE 5 2HD PHE 5 7.867 -8.730 -2.172
31 HD2 PHE 5 1HD PHE 5 6.439 -8.747 1.824
32 HE1 PHE 5 2HE PHE 5 10.132 -9.449 -1.366
33 HE2 PHE 5 1HE PHE 5 8.704 -9.467 2.630
34 HZ PHE 5 HZ PHE 5 10.524 -9.809 1.026
35 H TYR 6 H TYR 6 2.720 -9.926 -2.639
36 HA TYR 6 HA TYR 6 0.955 -7.980 -1.494
37 HB2 TYR 6 1HB TYR 6 1.169 -8.775 -3.950
38 HB3 TYR 6 2HB TYR 6 0.535 -10.328 -3.446
39 HD1 TYR 6 1HD TYR 6 -0.785 -7.253 -1.934
40 HD2 TYR 6 2HD TYR 6 -1.328 -10.153 -5.032
41 HE1 TYR 6 1HE TYR 6 -3.154 -6.413 -2.315
42 HE2 TYR 6 2HE TYR 6 -3.696 -9.304 -5.402
43 HH TYR 6 HH TYR 6 -5.000 -6.671 -3.399
44 H THR 7 H THR 7 -0.268 -8.278 0.294
45 HA THR 7 HA THR 7 -0.867 -11.053 1.060
46 HB THR 7 HB THR 7 -1.053 -10.114 3.338
47 HG1 THR 7 1HG THR 7 -1.087 -7.841 3.531
48 HG21 THR 7 3HG2 THR 7 1.200 -9.534 3.724
49 HG22 THR 7 1HG2 THR 7 1.336 -10.368 2.157
50 HG23 THR 7 2HG2 THR 7 1.314 -8.589 2.220
51 H SER 8 H SER 8 -2.629 -11.399 -0.349
52 HA SER 8 HA SER 8 -4.750 -9.554 -0.419
53 HB2 SER 8 1HB SER 8 -4.473 -10.972 -2.322
54 HB3 SER 8 2HB SER 8 -4.397 -12.423 -1.343
55 HG SER 8 HG SER 8 -6.711 -10.771 -1.873
56 H GLU 9 H GLU 9 -3.655 -11.477 2.068
57 HA GLU 9 HA GLU 9 -6.141 -12.549 2.921
58 HB2 GLU 9 1HB GLU 9 -3.432 -12.983 3.524
59 HB3 GLU 9 2HB GLU 9 -4.074 -12.285 4.998
60 HG2 GLU 9 1HG GLU 9 -6.075 -14.095 4.260
61 HG3 GLU 9 2HG GLU 9 -4.610 -14.930 3.781
62 H THR 10 H THR 10 -3.993 -9.807 3.932
63 HA THR 10 HA THR 10 -6.161 -8.828 5.643
64 HB THR 10 HB THR 10 -4.047 -8.978 6.792
65 HG1 THR 10 1HG THR 10 -5.154 -6.887 6.958
66 HG21 THR 10 3HG2 THR 10 -2.964 -8.092 4.146
67 HG22 THR 10 1HG2 THR 10 -2.201 -7.342 5.568
68 HG23 THR 10 2HG2 THR 10 -2.206 -9.113 5.392
69 H CYS 11 H CYS 11 -4.561 -8.289 2.573
70 HA CYS 11 HA CYS 11 -5.121 -5.570 2.317
71 HB2 CYS 11 1HB CYS 11 -3.549 -6.870 0.903
72 HB3 CYS 11 2HB CYS 11 -4.915 -7.657 0.136
73 HA PRO 12 HA PRO 12 -9.443 -5.822 1.735
74 HB2 PRO 12 1HB PRO 12 -9.929 -3.278 0.863
75 HB3 PRO 12 2HB PRO 12 -9.748 -3.692 2.556
76 HG2 PRO 12 1HG PRO 12 -7.834 -2.321 0.769
77 HG3 PRO 12 2HG PRO 12 -7.861 -2.367 2.521
78 HD2 PRO 12 1HD PRO 12 -6.119 -3.853 0.793
79 HD3 PRO 12 2HD PRO 12 -6.227 -3.984 2.537
80 H TYR 13 H TYR 13 -7.213 -5.547 -0.714
81 HA TYR 13 HA TYR 13 -9.353 -5.872 -2.707
82 HB2 TYR 13 1HB TYR 13 -6.394 -5.027 -2.900
83 HB3 TYR 13 2HB TYR 13 -7.497 -5.078 -4.261
84 HD1 TYR 13 1HD TYR 13 -9.480 -3.483 -4.296
85 HD2 TYR 13 2HD TYR 13 -6.274 -3.120 -1.486
86 HE1 TYR 13 1HE TYR 13 -10.143 -1.071 -3.840
87 HE2 TYR 13 2HE TYR 13 -6.948 -0.710 -1.039
88 HH TYR 13 HH TYR 13 -9.731 0.512 -1.586
89 H LYS 14 H LYS 14 -9.122 -7.527 -4.313
90 HA LYS 14 HA LYS 14 -6.979 -9.446 -3.812
91 HB2 LYS 14 1HB LYS 14 -8.433 -11.298 -3.627
92 HB3 LYS 14 2HB LYS 14 -9.045 -10.093 -2.512
93 HG2 LYS 14 1HG LYS 14 -10.112 -10.528 -5.343
94 HG3 LYS 14 2HG LYS 14 -10.851 -11.181 -3.895
95 HD2 LYS 14 1HD LYS 14 -12.026 -9.248 -3.719
96 HD3 LYS 14 2HD LYS 14 -10.525 -8.445 -3.302
97 HE2 LYS 14 1HE LYS 14 -11.364 -7.204 -5.159
98 HE3 LYS 14 2HE LYS 14 -10.100 -8.207 -5.843
99 HZ1 LYS 14 3HZ LYS 14 -11.944 -9.830 -6.321
100 HZ2 LYS 14 1HZ LYS 14 -12.992 -8.621 -5.997
101 HZ3 LYS 14 2HZ LYS 14 -11.924 -8.469 -7.223
102 H ASN 15 H ASN 15 -7.356 -7.355 -5.831
103 HA ASN 15 HA ASN 15 -8.061 -8.959 -8.142
104 HB2 ASN 15 1HB ASN 15 -8.921 -6.502 -7.651
105 HB3 ASN 15 2HB ASN 15 -7.333 -6.002 -8.197
106 HD21 ASN 15 1HD2 ASN 15 -9.357 -5.079 -9.588
107 HD22 ASN 15 2HD2 ASN 15 -9.542 -5.855 -11.126
108 H ASP 16 H ASP 16 -5.550 -6.621 -6.908
109 HA ASP 16 HA ASP 16 -3.476 -8.256 -7.900
110 HB2 ASP 16 1HB ASP 16 -4.460 -6.673 -9.858
111 HB3 ASP 16 2HB ASP 16 -3.425 -5.486 -9.089
112 H SER 17 H SER 17 -1.270 -7.114 -7.399
113 HA SER 17 HA SER 17 -1.546 -5.833 -4.885
114 HB2 SER 17 1HB SER 17 0.977 -5.849 -4.934
115 HB3 SER 17 2HB SER 17 0.250 -7.427 -5.170
116 HG SER 17 HG SER 17 1.519 -5.719 -7.104
117 H GLN 18 H GLN 18 -1.022 -4.882 -8.247
118 HA GLN 18 HA GLN 18 0.114 -2.371 -7.638
119 HB2 GLN 18 1HB GLN 18 -1.113 -3.587 -10.137
120 HB3 GLN 18 2HB GLN 18 -0.564 -1.923 -10.111
121 HG2 GLN 18 1HG GLN 18 1.715 -2.657 -9.446
122 HG3 GLN 18 2HG GLN 18 1.180 -4.325 -9.383
123 HE21 GLN 18 1HE2 GLN 18 0.986 -5.511 -11.197
124 HE22 GLN 18 2HE2 GLN 18 1.397 -4.971 -12.791
125 H LEU 19 H LEU 19 -3.163 -3.689 -7.917
126 HA LEU 19 HA LEU 19 -4.502 -1.257 -8.339
127 HB2 LEU 19 1HB LEU 19 -5.607 -3.268 -8.852
128 HB3 LEU 19 2HB LEU 19 -5.304 -3.949 -7.266
129 HG LEU 19 HG LEU 19 -6.785 -1.893 -6.465
130 HD11 LEU 19 1HD1 LEU 19 -8.168 -2.398 -9.075
131 HD12 LEU 19 2HD1 LEU 19 -8.310 -1.026 -7.951
132 HD13 LEU 19 3HD1 LEU 19 -6.872 -1.182 -8.987
133 HD21 LEU 19 3HD2 LEU 19 -8.220 -3.497 -5.889
134 HD22 LEU 19 1HD2 LEU 19 -8.574 -3.909 -7.584
135 HD23 LEU 19 2HD2 LEU 19 -7.157 -4.619 -6.773
136 H ALA 20 H ALA 20 -4.250 -3.226 -5.289
137 HA ALA 20 HA ALA 20 -5.218 -1.242 -3.627
138 HB1 ALA 20 3HB ALA 20 -4.877 -3.711 -3.148
139 HB2 ALA 20 1HB ALA 20 -3.150 -3.353 -2.912
140 HB3 ALA 20 2HB ALA 20 -4.366 -2.614 -1.843
141 H TRP 21 H TRP 21 -1.952 -1.819 -4.965
142 HA TRP 21 HA TRP 21 -0.642 0.008 -3.246
143 HB2 TRP 21 1HB TRP 21 0.712 -1.617 -4.215
144 HB3 TRP 21 2HB TRP 21 0.044 -1.377 -5.817
145 HD1 TRP 21 HD TRP 21 1.029 0.749 -7.240
146 HE1 TRP 21 1HE TRP 21 3.234 2.192 -7.100
147 HE3 TRP 21 3HE TRP 21 2.297 -0.689 -2.530
148 HZ2 TRP 21 2HZ TRP 21 5.216 2.561 -5.082
149 HZ3 TRP 21 3HZ TRP 21 4.383 0.260 -1.549
150 HH2 TRP 21 HH TRP 21 5.822 1.832 -2.745
151 H ASP 22 H ASP 22 -2.322 0.166 -6.418
152 HA ASP 22 HA ASP 22 -1.474 2.761 -7.011
153 HB2 ASP 22 1HB ASP 22 -2.384 1.189 -8.702
154 HB3 ASP 22 2HB ASP 22 -3.941 1.193 -7.898
155 H THR 23 H THR 23 -3.609 1.470 -4.650
156 HA THR 23 HA THR 23 -5.417 3.748 -4.637
157 HB THR 23 HB THR 23 -5.225 1.019 -3.358
158 HG1 THR 23 1HG THR 23 -6.625 1.254 -5.136
159 HG21 THR 23 3HG2 THR 23 -7.170 3.151 -2.369
160 HG22 THR 23 1HG2 THR 23 -6.894 1.524 -1.702
161 HG23 THR 23 2HG2 THR 23 -5.663 2.793 -1.493
162 H CYS 24 H CYS 24 -3.419 2.131 -2.074
163 HA CYS 24 HA CYS 24 -3.382 4.528 -0.569
164 HB2 CYS 24 1HB CYS 24 -3.199 2.820 0.879
165 HB3 CYS 24 2HB CYS 24 -2.405 1.768 -0.276
166 H SER 25 H SER 25 -0.814 2.576 -2.271
167 HA SER 25 HA SER 25 1.016 4.731 -2.069
168 HB2 SER 25 1HB SER 25 2.003 2.915 -3.983
169 HB3 SER 25 2HB SER 25 2.408 2.965 -2.279
170 HG SER 25 HG SER 25 1.037 1.311 -1.839
171 H GLY 26 H GLY 26 -1.074 5.947 -3.233
172 HA2 GLY 26 1HA GLY 26 -0.265 6.195 -6.063
173 HA3 GLY 26 2HA GLY 26 -1.953 6.073 -5.608
174 H GLY 27 H GLY 27 -2.941 8.039 -5.690
175 HA2 GLY 27 1HA GLY 27 -1.355 10.409 -4.938
176 HA3 GLY 27 2HA GLY 27 -2.755 10.388 -5.992
177 H THR 28 H THR 28 -4.728 9.051 -4.704
178 HA THR 28 HA THR 28 -4.874 10.232 -2.017
179 HB THR 28 HB THR 28 -7.165 11.009 -2.561
180 HG1 THR 28 1HG THR 28 -7.949 9.711 -4.196
181 HG21 THR 28 3HG2 THR 28 -5.745 12.791 -3.200
182 HG22 THR 28 1HG2 THR 28 -4.917 11.812 -4.435
183 HG23 THR 28 2HG2 THR 28 -6.561 12.424 -4.739
184 H GLY 29 H GLY 29 -7.698 9.314 -1.810
185 HA2 GLY 29 1HA GLY 29 -8.881 7.327 -1.646
186 HA3 GLY 29 2HA GLY 29 -7.434 6.410 -2.016
187 H ASN 30 H ASN 30 -6.365 5.420 -0.347
188 HA ASN 30 HA ASN 30 -6.880 6.511 2.306
189 HB2 ASN 30 1HB ASN 30 -6.500 3.916 2.933
190 HB3 ASN 30 2HB ASN 30 -8.088 4.520 2.505
191 HD21 ASN 30 1HD2 ASN 30 -5.804 2.208 1.908
192 HD22 ASN 30 2HD2 ASN 30 -6.315 1.632 0.356
193 H CYS 31 H CYS 31 -4.662 7.364 0.880
194 HA CYS 31 HA CYS 31 -2.452 5.635 1.064
195 HB2 CYS 31 1HB CYS 31 -1.179 7.386 0.252
196 HB3 CYS 31 2HB CYS 31 -2.764 7.673 -0.440
197 H GLY 32 H GLY 32 -1.233 5.126 2.860
198 HA2 GLY 32 1HA GLY 32 -0.738 6.998 4.953
199 HA3 GLY 32 2HA GLY 32 -1.941 5.818 5.432
200 H THR 33 H THR 33 0.248 5.673 6.934
201 HA THR 33 HA THR 33 2.186 3.877 5.735
202 HB THR 33 HB THR 33 1.920 5.017 8.567
203 HG1 THR 33 1HG THR 33 2.276 6.761 7.173
204 HG21 THR 33 3HG2 THR 33 4.521 4.338 7.194
205 HG22 THR 33 1HG2 THR 33 4.130 4.330 8.930
206 HG23 THR 33 2HG2 THR 33 3.581 2.995 7.889
207 H VAL 34 H VAL 34 -0.911 3.517 6.915
208 HA VAL 34 HA VAL 34 -0.424 1.141 8.460
209 HB VAL 34 HB VAL 34 -2.960 2.413 7.410
210 HG11 VAL 34 1HG1 VAL 34 -2.847 -0.147 8.096
211 HG12 VAL 34 2HG1 VAL 34 -2.917 0.531 9.741
212 HG13 VAL 34 3HG1 VAL 34 -4.217 0.883 8.577
213 HG21 VAL 34 3HG2 VAL 34 -1.999 3.954 8.914
214 HG22 VAL 34 1HG2 VAL 34 -3.187 3.051 9.884
215 HG23 VAL 34 2HG2 VAL 34 -1.453 2.671 10.019
216 H CYS 35 H CYS 35 -1.333 2.059 5.125
217 HA CYS 35 HA CYS 35 -2.181 -0.467 4.311
218 HB2 CYS 35 1HB CYS 35 -2.633 0.621 2.444
219 HB3 CYS 35 2HB CYS 35 -1.953 2.060 3.177
220 H CYS 36 H CYS 36 0.875 0.705 5.343
221 HA CYS 36 HA CYS 36 2.659 -0.501 3.652
222 HB2 CYS 36 1HB CYS 36 2.858 -0.156 6.651
223 HB3 CYS 36 2HB CYS 36 4.198 -0.547 5.591
224 H GLY 37 H GLY 37 1.985 -1.849 6.949
225 HA2 GLY 37 1HA GLY 37 2.407 -4.538 5.935
226 HA3 GLY 37 2HA GLY 37 2.222 -4.036 7.604
227 H GLN 38 H GLN 38 0.075 -3.331 4.773
228 HA GLN 38 HA GLN 38 -1.974 -4.876 6.161
229 HB2 GLN 38 1HB GLN 38 -2.189 -2.285 6.201
230 HB3 GLN 38 2HB GLN 38 -2.563 -2.405 4.493
231 HG2 GLN 38 1HG GLN 38 -4.705 -2.508 5.444
232 HG3 GLN 38 2HG GLN 38 -4.334 -4.209 5.246
233 HE21 GLN 38 1HE2 GLN 38 -6.162 -3.008 7.088
234 HE22 GLN 38 2HE2 GLN 38 -5.659 -3.403 8.698
235 H CYS 39 H CYS 39 -0.783 -3.548 3.015
236 HA CYS 39 HA CYS 39 -2.234 -5.723 1.698
237 HB2 CYS 39 1HB CYS 39 -2.448 -3.090 1.155
238 HB3 CYS 39 2HB CYS 39 -1.112 -3.492 0.094
239 H PHE 40 H PHE 40 0.868 -4.197 2.446
240 HA PHE 40 HA PHE 40 2.193 -6.394 1.042
241 HB2 PHE 40 1HB PHE 40 3.410 -3.613 1.230
242 HB3 PHE 40 2HB PHE 40 3.700 -4.840 0.012
243 HD1 PHE 40 2HD PHE 40 1.376 -2.213 1.117
244 HD2 PHE 40 1HD PHE 40 2.326 -4.991 -1.947
245 HE1 PHE 40 2HE PHE 40 -0.238 -1.064 -0.424
246 HE2 PHE 40 1HE PHE 40 0.712 -3.843 -3.488
247 HZ PHE 40 HZ PHE 40 -0.551 -1.893 -2.709
248 H SER 41 H SER 41 4.767 -6.099 1.729
249 HA SER 41 HA SER 41 4.824 -5.465 4.552
250 HB2 SER 41 1HB SER 41 5.258 -8.178 3.326
251 HB3 SER 41 2HB SER 41 6.298 -7.719 4.660
252 HG SER 41 HG SER 41 4.451 -7.397 5.993
253 H PHE 42 H PHE 42 7.103 -5.241 5.373
254 HA PHE 42 HA PHE 42 8.665 -3.744 3.681
255 HB2 PHE 42 1HB PHE 42 8.622 -4.758 6.366
256 HB3 PHE 42 2HB PHE 42 10.174 -5.258 5.725
257 HD1 PHE 42 2HD PHE 42 8.013 -2.250 6.102
258 HD2 PHE 42 1HD PHE 42 11.959 -3.764 5.717
259 HE1 PHE 42 2HE PHE 42 8.937 0.041 6.551
260 HE2 PHE 42 1HE PHE 42 12.882 -1.474 6.166
261 HZ PHE 42 HZ PHE 42 11.360 0.401 6.577
262 HA PRO 43 HA PRO 43 10.769 -3.348 3.722
263 HB2 PRO 43 1HB PRO 43 12.389 -2.637 1.639
264 HB3 PRO 43 2HB PRO 43 12.991 -3.358 3.118
265 HG2 PRO 43 1HG PRO 43 12.652 -4.597 0.456
266 HG3 PRO 43 2HG PRO 43 13.624 -5.146 1.807
267 HD2 PRO 43 1HD PRO 43 11.091 -6.203 0.973
268 HD3 PRO 43 2HD PRO 43 12.008 -6.673 2.391
269 H VAL 44 H VAL 44 8.749 -4.612 1.636
270 HA VAL 44 HA VAL 44 8.295 -2.403 -0.086
271 HB VAL 44 HB VAL 44 6.239 -4.472 0.607
272 HG11 VAL 44 1HG1 VAL 44 7.055 -2.954 -1.880
273 HG12 VAL 44 2HG1 VAL 44 5.987 -4.377 -1.939
274 HG13 VAL 44 3HG1 VAL 44 5.495 -2.932 -1.024
275 HG21 VAL 44 3HG2 VAL 44 7.706 -6.131 0.262
276 HG22 VAL 44 1HG2 VAL 44 7.722 -5.617 -1.442
277 HG23 VAL 44 2HG2 VAL 44 8.962 -5.011 -0.318
278 H SER 45 H SER 45 7.057 -3.488 3.100
279 HA SER 45 HA SER 45 4.875 -1.883 3.286
280 HB2 SER 45 1HB SER 45 4.938 -3.158 5.168
281 HB3 SER 45 2HB SER 45 6.685 -3.280 5.136
282 HG SER 45 HG SER 45 6.137 -2.127 7.003
283 H GLN 46 H GLN 46 8.219 -0.986 3.050
284 HA GLN 46 HA GLN 46 7.817 1.533 4.373
285 HB2 GLN 46 1HB GLN 46 10.001 -0.046 4.193
286 HB3 GLN 46 2HB GLN 46 10.298 0.948 2.781
287 HG2 GLN 46 1HG GLN 46 9.726 2.956 4.446
288 HG3 GLN 46 2HG GLN 46 10.127 1.783 5.684
289 HE21 GLN 46 1HE2 GLN 46 11.327 4.217 3.929
290 HE22 GLN 46 2HE2 GLN 46 13.009 3.813 3.848
291 H SER 47 H SER 47 7.642 0.123 1.170
292 HA SER 47 HA SER 47 8.110 2.547 -0.211
293 HB2 SER 47 1HB SER 47 6.557 0.262 -1.421
294 HB3 SER 47 2HB SER 47 7.756 1.299 -2.168
295 HG SER 47 HG SER 47 9.424 0.196 -1.072
296 H CYS 48 H CYS 48 5.267 0.723 1.009
297 HA CYS 48 HA CYS 48 3.265 2.013 -0.331
298 HB2 CYS 48 1HB CYS 48 2.594 0.192 0.913
299 HB3 CYS 48 2HB CYS 48 3.464 0.699 2.347
300 H ALA 49 H ALA 49 4.428 2.781 3.041
301 HA ALA 49 HA ALA 49 3.116 5.212 3.232
302 HB1 ALA 49 3HB ALA 49 3.874 4.769 5.305
303 HB2 ALA 49 1HB ALA 49 5.125 3.667 4.682
304 HB3 ALA 49 2HB ALA 49 5.448 5.414 4.780
305 H GLY 50 H GLY 50 5.854 4.267 1.313
306 HA2 GLY 50 1HA GLY 50 7.047 6.891 1.169
307 HA3 GLY 50 2HA GLY 50 7.474 5.463 0.248
308 H MET 51 H MET 51 5.348 4.695 -1.191
309 HA MET 51 HA MET 51 4.986 6.945 -2.931
310 HB2 MET 51 1HB MET 51 5.582 4.563 -3.683
311 HB3 MET 51 2HB MET 51 3.981 4.057 -3.183
312 HG2 MET 51 1HG MET 51 3.286 4.610 -5.281
313 HG3 MET 51 2HG MET 51 3.439 6.285 -4.788
314 HE1 MET 51 3HE MET 51 4.720 7.046 -7.854
315 HE2 MET 51 1HE MET 51 3.919 7.487 -6.327
316 HE3 MET 51 2HE MET 51 5.636 7.883 -6.578
317 H ALA 52 H ALA 52 3.577 6.644 -0.197
318 HA ALA 52 HA ALA 52 0.809 6.354 -0.985
319 HB1 ALA 52 3HB ALA 52 2.404 6.274 1.463
320 HB2 ALA 52 1HB ALA 52 0.953 7.287 1.655
321 HB3 ALA 52 2HB ALA 52 0.792 5.593 1.135
322 H ASP 53 H ASP 53 2.816 8.599 -1.889
323 HA ASP 53 HA ASP 53 2.689 10.699 -2.407
324 HB2 ASP 53 1HB ASP 53 -0.091 9.880 -2.164
325 HB3 ASP 53 2HB ASP 53 0.060 11.540 -1.624
326 H SER 54 H SER 54 3.180 12.699 -1.333
327 HA SER 54 HA SER 54 2.679 12.630 1.535
328 HB2 SER 54 1HB SER 54 5.034 13.229 -0.070
329 HB3 SER 54 2HB SER 54 4.634 14.611 0.931
330 HG SER 54 HG SER 54 5.704 13.500 2.433
331 H ASN 55 H ASN 55 3.655 15.357 -0.630
332 HA ASN 55 HA ASN 55 1.622 16.957 0.567
333 HB2 ASN 55 1HB ASN 55 4.130 17.488 -0.477
334 HB3 ASN 55 2HB ASN 55 3.115 17.997 -1.812
335 HD21 ASN 55 1HD2 ASN 55 4.439 19.956 -0.870
336 HD22 ASN 55 2HD2 ASN 55 3.550 21.002 0.187
337 H ASP 56 H ASP 56 1.792 14.721 -1.982
338 HA ASP 56 HA ASP 56 0.060 16.201 -3.742
339 HB2 ASP 56 1HB ASP 56 1.380 13.459 -3.864
340 HB3 ASP 56 2HB ASP 56 0.192 13.953 -5.054
341 H CYS 57 H CYS 57 -0.074 14.070 -1.029
342 HA CYS 57 HA CYS 57 -2.495 12.739 -1.809
343 HB2 CYS 57 1HB CYS 57 -0.451 12.339 0.128
344 HB3 CYS 57 2HB CYS 57 -1.963 12.518 0.995
345 HA PRO 58 HA PRO 58 -5.187 15.621 0.042
346 HB2 PRO 58 1HB PRO 58 -7.176 14.084 1.114
347 HB3 PRO 58 2HB PRO 58 -7.068 14.455 -0.595
348 HG2 PRO 58 1HG PRO 58 -6.432 11.925 0.796
349 HG3 PRO 58 2HG PRO 58 -6.739 12.194 -0.909
350 HD2 PRO 58 1HD PRO 58 -4.185 11.784 0.331
351 HD3 PRO 58 2HD PRO 58 -4.484 12.167 -1.353
352 H ASN 59 H ASN 59 -3.036 15.673 1.527
353 HA ASN 59 HA ASN 59 -3.984 15.168 4.218
354 HB2 ASN 59 1HB ASN 59 -1.235 15.726 3.016
355 HB3 ASN 59 2HB ASN 59 -1.494 15.802 4.747
356 HD21 ASN 59 1HD2 ASN 59 -0.099 14.088 5.098
357 HD22 ASN 59 2HD2 ASN 59 -0.523 12.439 4.775
358 H ALA 60 H ALA 60 -3.087 16.984 5.859
359 HA ALA 60 HA ALA 60 -3.575 19.051 6.572
360 HB1 ALA 60 3HB ALA 60 -1.233 18.950 5.165
361 HB2 ALA 60 1HB ALA 60 -2.068 20.281 4.329
362 HB3 ALA 60 2HB ALA 60 -1.785 20.370 6.084
Start of MODEL 20
1 H1 ASP 1 H ASP 1 7.120 -7.156 -7.455
2 HA ASP 1 HA ASP 1 9.332 -8.100 -6.223
3 HB2 ASP 1 1HB ASP 1 9.628 -5.285 -6.989
4 HB3 ASP 1 2HB ASP 1 9.694 -5.457 -5.246
5 H ILE 2 H ILE 2 6.665 -5.707 -6.273
6 HA ILE 2 HA ILE 2 6.263 -5.804 -3.436
7 HB ILE 2 HB ILE 2 4.785 -4.121 -3.741
8 HG12 ILE 2 1HG1 ILE 2 4.039 -5.167 -6.488
9 HG13 ILE 2 2HG1 ILE 2 3.172 -5.537 -5.010
10 HG21 ILE 2 1HG2 ILE 2 6.079 -3.823 -6.445
11 HG22 ILE 2 2HG2 ILE 2 5.662 -2.573 -5.249
12 HG23 ILE 2 3HG2 ILE 2 7.020 -3.681 -4.941
13 HD11 ILE 2 3HD1 ILE 2 2.028 -3.592 -5.161
14 HD12 ILE 2 1HD1 ILE 2 3.552 -2.672 -5.147
15 HD13 ILE 2 2HD1 ILE 2 2.871 -3.243 -6.689
16 H GLU 3 H GLU 3 4.762 -7.219 -6.394
17 HA GLU 3 HA GLU 3 2.594 -8.360 -5.209
18 HB2 GLU 3 1HB GLU 3 2.768 -10.065 -7.103
19 HB3 GLU 3 2HB GLU 3 2.768 -8.383 -7.595
20 HG2 GLU 3 1HG GLU 3 4.735 -8.728 -8.663
21 HG3 GLU 3 2HG GLU 3 5.498 -9.014 -7.112
22 H ASP 4 H ASP 4 5.993 -9.184 -4.908
23 HA ASP 4 HA ASP 4 5.569 -11.858 -4.131
24 HB2 ASP 4 1HB ASP 4 7.788 -10.063 -4.576
25 HB3 ASP 4 2HB ASP 4 7.992 -10.777 -2.989
26 H PHE 5 H PHE 5 4.668 -8.967 -2.717
27 HA PHE 5 HA PHE 5 4.815 -10.134 -0.039
28 HB2 PHE 5 1HB PHE 5 5.676 -7.419 -1.121
29 HB3 PHE 5 2HB PHE 5 5.026 -7.480 0.506
30 HD1 PHE 5 2HD PHE 5 6.214 -8.740 2.269
31 HD2 PHE 5 1HD PHE 5 7.859 -8.282 -1.616
32 HE1 PHE 5 2HE PHE 5 8.469 -9.408 3.145
33 HE2 PHE 5 1HE PHE 5 10.114 -8.951 -0.739
34 HZ PHE 5 HZ PHE 5 10.392 -9.506 1.631
35 H TYR 6 H TYR 6 2.736 -9.811 -2.303
36 HA TYR 6 HA TYR 6 0.884 -7.884 -1.274
37 HB2 TYR 6 1HB TYR 6 1.214 -8.713 -3.701
38 HB3 TYR 6 2HB TYR 6 0.608 -10.278 -3.197
39 HD1 TYR 6 2HD TYR 6 -0.915 -7.308 -1.713
40 HD2 TYR 6 1HD TYR 6 -1.146 -10.103 -4.945
41 HE1 TYR 6 2HE TYR 6 -3.291 -6.551 -2.208
42 HE2 TYR 6 1HE TYR 6 -3.522 -9.336 -5.428
43 HH TYR 6 HH TYR 6 -5.403 -7.967 -3.479
44 H THR 7 H THR 7 -0.378 -8.175 0.489
45 HA THR 7 HA THR 7 -0.983 -10.946 1.263
46 HB THR 7 HB THR 7 -1.048 -10.116 3.509
47 HG1 THR 7 1HG THR 7 -1.009 -7.459 2.274
48 HG21 THR 7 3HG2 THR 7 1.287 -9.817 2.301
49 HG22 THR 7 1HG2 THR 7 0.884 -8.084 2.330
50 HG23 THR 7 2HG2 THR 7 1.021 -8.992 3.855
51 H SER 8 H SER 8 -2.718 -11.381 -0.116
52 HA SER 8 HA SER 8 -4.844 -9.532 -0.305
53 HB2 SER 8 1HB SER 8 -4.587 -10.927 -2.192
54 HB3 SER 8 2HB SER 8 -4.361 -12.370 -1.225
55 HG SER 8 HG SER 8 -6.761 -11.065 -2.005
56 H GLU 9 H GLU 9 -3.805 -11.349 2.260
57 HA GLU 9 HA GLU 9 -6.282 -12.483 3.053
58 HB2 GLU 9 1HB GLU 9 -3.593 -12.817 3.763
59 HB3 GLU 9 2HB GLU 9 -4.292 -12.070 5.187
60 HG2 GLU 9 1HG GLU 9 -6.243 -13.918 4.598
61 HG3 GLU 9 2HG GLU 9 -4.828 -14.759 3.997
62 H THR 10 H THR 10 -4.279 -9.628 4.040
63 HA THR 10 HA THR 10 -6.550 -8.674 5.632
64 HB THR 10 HB THR 10 -4.508 -8.709 6.897
65 HG1 THR 10 1HG THR 10 -5.385 -6.640 7.173
66 HG21 THR 10 3HG2 THR 10 -2.638 -8.935 5.508
67 HG22 THR 10 1HG2 THR 10 -3.292 -7.820 4.284
68 HG23 THR 10 2HG2 THR 10 -2.573 -7.177 5.780
69 H CYS 11 H CYS 11 -4.807 -8.166 2.631
70 HA CYS 11 HA CYS 11 -5.458 -5.476 2.272
71 HB2 CYS 11 1HB CYS 11 -3.747 -6.731 0.991
72 HB3 CYS 11 2HB CYS 11 -5.023 -7.607 0.169
73 HA PRO 12 HA PRO 12 -9.722 -5.932 1.436
74 HB2 PRO 12 1HB PRO 12 -10.261 -3.433 0.470
75 HB3 PRO 12 2HB PRO 12 -10.168 -3.800 2.181
76 HG2 PRO 12 1HG PRO 12 -8.207 -2.388 0.479
77 HG3 PRO 12 2HG PRO 12 -8.341 -2.393 2.226
78 HD2 PRO 12 1HD PRO 12 -6.433 -3.840 0.647
79 HD3 PRO 12 2HD PRO 12 -6.643 -3.935 2.384
80 H TYR 13 H TYR 13 -7.360 -5.814 -0.831
81 HA TYR 13 HA TYR 13 -9.354 -6.189 -2.964
82 HB2 TYR 13 1HB TYR 13 -6.407 -5.280 -2.978
83 HB3 TYR 13 2HB TYR 13 -7.396 -5.426 -4.417
84 HD1 TYR 13 1HD TYR 13 -9.351 -3.867 -4.745
85 HD2 TYR 13 2HD TYR 13 -6.508 -3.333 -1.592
86 HE1 TYR 13 1HE TYR 13 -10.111 -1.458 -4.458
87 HE2 TYR 13 2HE TYR 13 -7.277 -0.926 -1.316
88 HH TYR 13 HH TYR 13 -9.897 0.226 -2.086
89 H LYS 14 H LYS 14 -8.910 -7.855 -4.551
90 HA LYS 14 HA LYS 14 -6.761 -9.691 -3.893
91 HB2 LYS 14 1HB LYS 14 -8.131 -11.595 -3.589
92 HB3 LYS 14 2HB LYS 14 -8.773 -10.358 -2.526
93 HG2 LYS 14 1HG LYS 14 -9.872 -10.983 -5.308
94 HG3 LYS 14 2HG LYS 14 -10.555 -11.594 -3.815
95 HD2 LYS 14 1HD LYS 14 -11.819 -9.710 -3.736
96 HD3 LYS 14 2HD LYS 14 -10.354 -8.834 -3.342
97 HE2 LYS 14 1HE LYS 14 -11.136 -7.668 -5.237
98 HE3 LYS 14 2HE LYS 14 -9.949 -8.751 -5.935
99 HZ1 LYS 14 3HZ LYS 14 -12.525 -8.583 -6.669
100 HZ2 LYS 14 1HZ LYS 14 -11.529 -9.828 -7.023
101 HZ3 LYS 14 2HZ LYS 14 -12.530 -9.924 -5.737
102 H ASN 15 H ASN 15 -7.288 -7.734 -6.026
103 HA ASN 15 HA ASN 15 -7.852 -9.551 -8.225
104 HB2 ASN 15 1HB ASN 15 -8.838 -7.012 -7.737
105 HB3 ASN 15 2HB ASN 15 -7.470 -6.628 -8.763
106 HD21 ASN 15 1HD2 ASN 15 -9.813 -5.995 -9.741
107 HD22 ASN 15 2HD2 ASN 15 -10.348 -7.064 -10.995
108 H ASP 16 H ASP 16 -5.626 -6.935 -7.037
109 HA ASP 16 HA ASP 16 -3.399 -8.302 -8.104
110 HB2 ASP 16 1HB ASP 16 -4.680 -6.504 -9.858
111 HB3 ASP 16 2HB ASP 16 -3.355 -5.566 -9.199
112 H SER 17 H SER 17 -1.377 -7.303 -7.272
113 HA SER 17 HA SER 17 -1.785 -5.967 -4.851
114 HB2 SER 17 1HB SER 17 0.107 -7.405 -4.986
115 HB3 SER 17 2HB SER 17 0.656 -6.698 -6.492
116 HG SER 17 HG SER 17 1.109 -5.871 -3.853
117 H GLN 18 H GLN 18 -0.917 -4.958 -8.171
118 HA GLN 18 HA GLN 18 -0.021 -2.411 -7.500
119 HB2 GLN 18 1HB GLN 18 -0.134 -3.924 -9.798
120 HB3 GLN 18 2HB GLN 18 -1.378 -2.736 -10.130
121 HG2 GLN 18 1HG GLN 18 0.246 -0.898 -9.599
122 HG3 GLN 18 2HG GLN 18 1.489 -2.094 -9.290
123 HE21 GLN 18 1HE2 GLN 18 0.594 0.068 -11.439
124 HE22 GLN 18 2HE2 GLN 18 1.058 -0.661 -12.941
125 H LEU 19 H LEU 19 -3.261 -3.801 -8.085
126 HA LEU 19 HA LEU 19 -4.665 -1.438 -8.453
127 HB2 LEU 19 1HB LEU 19 -5.664 -3.516 -8.969
128 HB3 LEU 19 2HB LEU 19 -5.414 -4.136 -7.349
129 HG LEU 19 HG LEU 19 -7.010 -2.251 -6.583
130 HD11 LEU 19 1HD1 LEU 19 -8.260 -2.384 -9.275
131 HD12 LEU 19 2HD1 LEU 19 -8.259 -1.079 -8.065
132 HD13 LEU 19 3HD1 LEU 19 -6.831 -1.337 -9.096
133 HD21 LEU 19 3HD2 LEU 19 -8.988 -3.767 -7.645
134 HD22 LEU 19 1HD2 LEU 19 -7.596 -4.857 -7.850
135 HD23 LEU 19 2HD2 LEU 19 -8.010 -4.237 -6.234
136 H ALA 20 H ALA 20 -4.337 -3.363 -5.381
137 HA ALA 20 HA ALA 20 -5.455 -1.430 -3.748
138 HB1 ALA 20 3HB ALA 20 -3.247 -3.336 -2.918
139 HB2 ALA 20 1HB ALA 20 -4.632 -2.758 -1.960
140 HB3 ALA 20 2HB ALA 20 -4.891 -3.902 -3.299
141 H TRP 21 H TRP 21 -2.113 -1.854 -4.980
142 HA TRP 21 HA TRP 21 -0.920 0.040 -3.287
143 HB2 TRP 21 1HB TRP 21 0.521 -1.459 -4.323
144 HB3 TRP 21 2HB TRP 21 -0.196 -1.230 -5.905
145 HD1 TRP 21 HD TRP 21 0.478 1.165 -7.185
146 HE1 TRP 21 1HE TRP 21 2.634 2.684 -7.099
147 HE3 TRP 21 3HE TRP 21 2.264 -0.709 -2.808
148 HZ2 TRP 21 2HZ TRP 21 4.796 2.926 -5.252
149 HZ3 TRP 21 3HZ TRP 21 4.404 0.224 -1.933
150 HH2 TRP 21 HH TRP 21 5.660 1.979 -3.080
151 H ASP 22 H ASP 22 -2.630 0.189 -6.448
152 HA ASP 22 HA ASP 22 -1.964 2.841 -6.976
153 HB2 ASP 22 1HB ASP 22 -3.281 0.797 -8.303
154 HB3 ASP 22 2HB ASP 22 -4.617 1.867 -7.926
155 H THR 23 H THR 23 -3.977 1.367 -4.609
156 HA THR 23 HA THR 23 -5.885 3.561 -4.481
157 HB THR 23 HB THR 23 -5.668 0.751 -3.585
158 HG1 THR 23 1HG THR 23 -7.330 1.578 -4.987
159 HG21 THR 23 3HG2 THR 23 -5.637 1.481 -1.308
160 HG22 THR 23 1HG2 THR 23 -6.593 2.936 -1.675
161 HG23 THR 23 2HG2 THR 23 -7.373 1.337 -1.672
162 H CYS 24 H CYS 24 -3.294 2.075 -2.435
163 HA CYS 24 HA CYS 24 -3.503 4.308 -0.628
164 HB2 CYS 24 1HB CYS 24 -3.060 2.508 0.654
165 HB3 CYS 24 2HB CYS 24 -2.218 1.652 -0.622
166 H SER 25 H SER 25 -0.665 2.696 -2.242
167 HA SER 25 HA SER 25 0.693 5.194 -2.297
168 HB2 SER 25 1HB SER 25 2.136 3.346 -3.869
169 HB3 SER 25 2HB SER 25 2.430 3.756 -2.191
170 HG SER 25 HG SER 25 0.691 1.653 -3.168
171 H GLY 26 H GLY 26 -1.551 5.712 -3.709
172 HA2 GLY 26 1HA GLY 26 -0.676 5.603 -6.534
173 HA3 GLY 26 2HA GLY 26 -2.344 5.390 -6.042
174 H GLY 27 H GLY 27 -0.839 7.573 -3.896
175 HA2 GLY 27 1HA GLY 27 -0.488 9.879 -4.060
176 HA3 GLY 27 2HA GLY 27 -1.387 9.925 -5.563
177 H THR 28 H THR 28 -3.610 8.187 -4.527
178 HA THR 28 HA THR 28 -4.755 9.975 -2.498
179 HB THR 28 HB THR 28 -6.830 10.093 -3.833
180 HG1 THR 28 1HG THR 28 -7.017 8.443 -5.292
181 HG21 THR 28 3HG2 THR 28 -5.410 11.862 -4.597
182 HG22 THR 28 1HG2 THR 28 -4.254 10.726 -5.334
183 HG23 THR 28 2HG2 THR 28 -5.842 10.997 -6.092
184 H GLY 29 H GLY 29 -7.360 8.488 -2.879
185 HA2 GLY 29 1HA GLY 29 -8.374 6.622 -2.123
186 HA3 GLY 29 2HA GLY 29 -6.871 5.743 -2.331
187 H ASN 30 H ASN 30 -6.681 4.643 -0.388
188 HA ASN 30 HA ASN 30 -6.993 6.234 2.018
189 HB2 ASN 30 1HB ASN 30 -6.882 3.920 3.145
190 HB3 ASN 30 2HB ASN 30 -8.273 4.184 2.113
191 HD21 ASN 30 1HD2 ASN 30 -8.762 2.429 1.056
192 HD22 ASN 30 2HD2 ASN 30 -7.675 1.334 0.269
193 H CYS 31 H CYS 31 -4.667 6.737 0.436
194 HA CYS 31 HA CYS 31 -2.489 5.131 0.971
195 HB2 CYS 31 1HB CYS 31 -1.212 6.767 0.023
196 HB3 CYS 31 2HB CYS 31 -2.790 7.152 -0.632
197 H GLY 32 H GLY 32 -0.851 5.227 2.633
198 HA2 GLY 32 1HA GLY 32 -0.648 7.071 4.669
199 HA3 GLY 32 2HA GLY 32 -1.832 5.904 5.222
200 H THR 33 H THR 33 0.210 5.820 6.829
201 HA THR 33 HA THR 33 2.306 4.090 5.815
202 HB THR 33 HB THR 33 1.750 5.339 8.559
203 HG1 THR 33 1HG THR 33 2.219 6.660 6.512
204 HG21 THR 33 3HG2 THR 33 4.272 4.070 7.366
205 HG22 THR 33 1HG2 THR 33 4.198 4.949 8.911
206 HG23 THR 33 2HG2 THR 33 3.328 3.408 8.722
207 H VAL 34 H VAL 34 -0.858 3.640 6.830
208 HA VAL 34 HA VAL 34 -0.362 1.277 8.396
209 HB VAL 34 HB VAL 34 -2.875 2.529 7.274
210 HG11 VAL 34 1HG1 VAL 34 -2.780 -0.055 7.830
211 HG12 VAL 34 2HG1 VAL 34 -2.907 0.528 9.507
212 HG13 VAL 34 3HG1 VAL 34 -4.171 0.941 8.323
213 HG21 VAL 34 3HG2 VAL 34 -3.239 3.083 9.733
214 HG22 VAL 34 1HG2 VAL 34 -1.531 2.649 9.985
215 HG23 VAL 34 2HG2 VAL 34 -1.957 3.994 8.900
216 H CYS 35 H CYS 35 -1.270 2.172 5.042
217 HA CYS 35 HA CYS 35 -1.972 -0.383 4.203
218 HB2 CYS 35 1HB CYS 35 -2.488 0.750 2.384
219 HB3 CYS 35 2HB CYS 35 -1.742 2.180 3.069
220 H CYS 36 H CYS 36 1.031 0.968 5.235
221 HA CYS 36 HA CYS 36 2.865 -0.221 3.577
222 HB2 CYS 36 1HB CYS 36 3.040 0.308 6.550
223 HB3 CYS 36 2HB CYS 36 4.401 -0.130 5.537
224 H GLY 37 H GLY 37 1.503 -1.449 6.729
225 HA2 GLY 37 1HA GLY 37 2.292 -4.173 5.906
226 HA3 GLY 37 2HA GLY 37 2.098 -3.613 7.555
227 H GLN 38 H GLN 38 -0.048 -3.030 4.696
228 HA GLN 38 HA GLN 38 -2.091 -4.527 6.144
229 HB2 GLN 38 1HB GLN 38 -2.183 -1.836 5.810
230 HB3 GLN 38 2HB GLN 38 -2.923 -2.317 4.296
231 HG2 GLN 38 1HG GLN 38 -4.363 -3.935 5.854
232 HG3 GLN 38 2HG GLN 38 -3.887 -2.822 7.120
233 HE21 GLN 38 1HE2 GLN 38 -5.430 -1.449 7.533
234 HE22 GLN 38 2HE2 GLN 38 -6.434 -0.616 6.393
235 H CYS 39 H CYS 39 -0.961 -3.311 2.923
236 HA CYS 39 HA CYS 39 -2.343 -5.598 1.728
237 HB2 CYS 39 1HB CYS 39 -2.663 -3.015 1.061
238 HB3 CYS 39 2HB CYS 39 -1.303 -3.397 0.023
239 H PHE 40 H PHE 40 0.711 -4.006 2.450
240 HA PHE 40 HA PHE 40 2.091 -6.189 1.079
241 HB2 PHE 40 1HB PHE 40 3.233 -3.372 1.235
242 HB3 PHE 40 2HB PHE 40 3.585 -4.615 0.050
243 HD1 PHE 40 1HD PHE 40 1.219 -1.989 1.025
244 HD2 PHE 40 2HD PHE 40 2.194 -4.902 -1.902
245 HE1 PHE 40 1HE PHE 40 -0.400 -0.926 -0.571
246 HE2 PHE 40 2HE PHE 40 0.575 -3.839 -3.499
247 HZ PHE 40 HZ PHE 40 -0.703 -1.864 -2.814
248 H SER 41 H SER 41 4.646 -5.858 1.781
249 HA SER 41 HA SER 41 4.716 -5.114 4.568
250 HB2 SER 41 1HB SER 41 4.913 -7.902 3.526
251 HB3 SER 41 2HB SER 41 6.146 -7.456 4.689
252 HG SER 41 HG SER 41 4.643 -7.897 6.151
253 H PHE 42 H PHE 42 7.013 -4.958 5.381
254 HA PHE 42 HA PHE 42 8.625 -3.601 3.621
255 HB2 PHE 42 1HB PHE 42 8.555 -4.486 6.345
256 HB3 PHE 42 2HB PHE 42 10.073 -5.102 5.724
257 HD1 PHE 42 1HD PHE 42 8.088 -1.974 6.032
258 HD2 PHE 42 2HD PHE 42 11.936 -3.701 5.570
259 HE1 PHE 42 1HE PHE 42 9.140 0.280 6.368
260 HE2 PHE 42 2HE PHE 42 12.988 -1.447 5.906
261 HZ PHE 42 HZ PHE 42 11.578 0.517 6.301
262 HA PRO 43 HA PRO 43 10.731 -3.283 3.609
263 HB2 PRO 43 1HB PRO 43 12.344 -2.729 1.474
264 HB3 PRO 43 2HB PRO 43 12.942 -3.401 2.978
265 HG2 PRO 43 1HG PRO 43 12.521 -4.752 0.382
266 HG3 PRO 43 2HG PRO 43 13.493 -5.271 1.745
267 HD2 PRO 43 1HD PRO 43 10.912 -6.275 0.996
268 HD3 PRO 43 2HD PRO 43 11.833 -6.710 2.423
269 H VAL 44 H VAL 44 8.650 -4.578 1.592
270 HA VAL 44 HA VAL 44 8.246 -2.432 -0.217
271 HB VAL 44 HB VAL 44 6.130 -4.397 0.589
272 HG11 VAL 44 1HG1 VAL 44 6.960 -2.991 -1.954
273 HG12 VAL 44 2HG1 VAL 44 5.888 -4.412 -1.975
274 HG13 VAL 44 3HG1 VAL 44 5.397 -2.939 -1.104
275 HG21 VAL 44 3HG2 VAL 44 7.526 -5.706 -1.405
276 HG22 VAL 44 1HG2 VAL 44 8.823 -5.062 -0.371
277 HG23 VAL 44 2HG2 VAL 44 7.563 -6.106 0.329
278 H SER 45 H SER 45 7.042 -3.314 3.039
279 HA SER 45 HA SER 45 4.896 -1.668 3.193
280 HB2 SER 45 1HB SER 45 4.996 -2.795 5.162
281 HB3 SER 45 2HB SER 45 6.736 -2.982 5.064
282 HG SER 45 HG SER 45 6.015 -1.675 6.903
283 H GLN 46 H GLN 46 8.241 -0.828 2.798
284 HA GLN 46 HA GLN 46 7.910 1.775 3.966
285 HB2 GLN 46 1HB GLN 46 10.059 0.707 4.291
286 HB3 GLN 46 2HB GLN 46 10.234 0.386 2.577
287 HG2 GLN 46 1HG GLN 46 11.578 2.299 2.865
288 HG3 GLN 46 2HG GLN 46 10.076 2.987 2.280
289 HE21 GLN 46 1HE2 GLN 46 11.863 4.512 3.645
290 HE22 GLN 46 2HE2 GLN 46 11.251 4.956 5.203
291 H SER 47 H SER 47 7.755 0.167 0.825
292 HA SER 47 HA SER 47 8.142 2.492 -0.703
293 HB2 SER 47 1HB SER 47 6.656 -0.046 -1.506
294 HB3 SER 47 2HB SER 47 7.388 1.123 -2.587
295 HG SER 47 HG SER 47 8.829 -0.485 -0.653
296 H CYS 48 H CYS 48 5.307 0.776 0.690
297 HA CYS 48 HA CYS 48 3.291 2.030 -0.663
298 HB2 CYS 48 1HB CYS 48 2.600 0.296 0.676
299 HB3 CYS 48 2HB CYS 48 3.545 0.821 2.055
300 H ALA 49 H ALA 49 4.396 2.926 2.693
301 HA ALA 49 HA ALA 49 3.181 5.405 2.725
302 HB1 ALA 49 3HB ALA 49 5.304 3.971 4.239
303 HB2 ALA 49 1HB ALA 49 5.296 5.743 4.401
304 HB3 ALA 49 2HB ALA 49 3.844 4.804 4.825
305 H GLY 50 H GLY 50 5.978 4.282 0.972
306 HA2 GLY 50 1HA GLY 50 7.301 6.812 0.746
307 HA3 GLY 50 2HA GLY 50 7.608 5.354 -0.176
308 H MET 51 H MET 51 5.377 4.754 -1.566
309 HA MET 51 HA MET 51 5.205 6.997 -3.340
310 HB2 MET 51 1HB MET 51 5.519 4.523 -4.018
311 HB3 MET 51 2HB MET 51 3.860 4.247 -3.525
312 HG2 MET 51 1HG MET 51 3.328 4.792 -5.683
313 HG3 MET 51 2HG MET 51 3.555 6.452 -5.169
314 HE1 MET 51 3HE MET 51 4.445 3.608 -7.115
315 HE2 MET 51 1HE MET 51 4.391 4.856 -8.382
316 HE3 MET 51 2HE MET 51 5.912 3.996 -8.045
317 H ALA 52 H ALA 52 3.791 6.738 -0.541
318 HA ALA 52 HA ALA 52 1.015 6.922 -1.382
319 HB1 ALA 52 3HB ALA 52 2.504 6.281 1.055
320 HB2 ALA 52 1HB ALA 52 1.202 7.457 1.357
321 HB3 ALA 52 2HB ALA 52 0.827 5.885 0.611
322 H ASP 53 H ASP 53 2.976 8.915 -2.341
323 HA ASP 53 HA ASP 53 3.127 11.058 -2.624
324 HB2 ASP 53 1HB ASP 53 0.371 10.722 -1.589
325 HB3 ASP 53 2HB ASP 53 1.011 12.328 -1.306
326 H SER 54 H SER 54 3.462 13.238 -1.391
327 HA SER 54 HA SER 54 4.422 12.574 1.260
328 HB2 SER 54 1HB SER 54 5.306 14.331 -0.910
329 HB3 SER 54 2HB SER 54 5.214 15.209 0.605
330 HG SER 54 HG SER 54 6.583 12.677 0.273
331 H ASN 55 H ASN 55 3.225 15.678 -0.200
332 HA ASN 55 HA ASN 55 1.514 15.913 2.147
333 HB2 ASN 55 1HB ASN 55 3.493 17.657 1.303
334 HB3 ASN 55 2HB ASN 55 2.094 18.350 0.506
335 HD21 ASN 55 1HD2 ASN 55 0.902 19.712 1.598
336 HD22 ASN 55 2HD2 ASN 55 0.826 19.893 3.319
337 H ASP 56 H ASP 56 1.606 15.263 -1.178
338 HA ASP 56 HA ASP 56 -0.563 16.833 -2.038
339 HB2 ASP 56 1HB ASP 56 0.479 14.206 -3.196
340 HB3 ASP 56 2HB ASP 56 -0.505 15.384 -4.043
341 H CYS 57 H CYS 57 -0.113 13.735 -0.382
342 HA CYS 57 HA CYS 57 -2.655 12.664 -1.051
343 HB2 CYS 57 1HB CYS 57 -0.293 11.766 0.225
344 HB3 CYS 57 2HB CYS 57 -1.590 11.575 1.388
345 HA PRO 58 HA PRO 58 -4.994 14.572 2.089
346 HB2 PRO 58 1HB PRO 58 -6.763 12.638 2.864
347 HB3 PRO 58 2HB PRO 58 -6.953 13.578 1.397
348 HG2 PRO 58 1HG PRO 58 -6.078 10.771 1.699
349 HG3 PRO 58 2HG PRO 58 -6.675 11.587 0.268
350 HD2 PRO 58 1HD PRO 58 -3.944 10.939 0.860
351 HD3 PRO 58 2HD PRO 58 -4.530 11.856 -0.514
352 H ASN 59 H ASN 59 -2.623 14.257 3.136
353 HA ASN 59 HA ASN 59 -3.061 12.771 5.579
354 HB2 ASN 59 1HB ASN 59 -0.560 14.105 4.415
355 HB3 ASN 59 2HB ASN 59 -0.581 13.243 5.940
356 HD21 ASN 59 1HD2 ASN 59 1.159 12.236 4.413
357 HD22 ASN 59 2HD2 ASN 59 0.679 10.794 3.582
358 H ALA 60 H ALA 60 -2.627 13.857 7.691
359 HA ALA 60 HA ALA 60 -1.993 16.569 7.898
360 HB1 ALA 60 3HB ALA 60 -4.287 17.381 8.603
361 HB2 ALA 60 1HB ALA 60 -4.113 17.054 6.862
362 HB3 ALA 60 2HB ALA 60 -4.956 15.885 7.907