NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
594974 |
2mw7   |
25302 | 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 1H ASP 1 -8.151 -5.620 -8.261
2 H2 ASP 1 2H ASP 1 -9.358 -5.074 -7.204
3 H3 ASP 1 3H ASP 1 -7.897 -4.235 -7.327
4 HA ASP 1 HA ASP 1 -8.344 -3.546 -9.509
5 HB2 ASP 1 2HB ASP 1 -10.875 -5.244 -9.293
6 HB3 ASP 1 1HB ASP 1 -10.506 -4.156 -10.635
7 H GLY 2 H GLY 2 -8.661 -1.453 -9.117
8 HA2 GLY 2 2HA GLY 2 -9.634 0.533 -8.526
9 HA3 GLY 2 1HA GLY 2 -11.159 -0.321 -8.342
10 H GLU 3 H GLU 3 -8.544 -1.544 -6.488
11 HA GLU 3 HA GLU 3 -9.621 -0.336 -3.995
12 HB2 GLU 3 2HB GLU 3 -9.239 -2.527 -2.906
13 HB3 GLU 3 1HB GLU 3 -10.360 -2.681 -4.258
14 HG2 GLU 3 2HG GLU 3 -8.343 -3.449 -5.648
15 HG3 GLU 3 1HG GLU 3 -7.462 -3.557 -4.126
16 H CYS 4 H CYS 4 -7.853 -0.926 -2.153
17 HA CYS 4 HA CYS 4 -5.121 -0.488 -3.126
18 HB2 CYS 4 2HB CYS 4 -4.816 1.566 -1.785
19 HB3 CYS 4 1HB CYS 4 -6.085 1.795 -2.980
20 H GLY 5 H GLY 5 -3.598 -1.301 -1.750
21 HA2 GLY 5 2HA GLY 5 -2.746 -1.542 0.496
22 HA3 GLY 5 1HA GLY 5 -4.364 -1.913 1.054
23 H ASP 6 H ASP 6 -3.996 -3.574 -1.769
24 HA ASP 6 HA ASP 6 -3.453 -6.081 -0.294
25 HB2 ASP 6 2HB ASP 6 -5.011 -5.477 -2.840
26 HB3 ASP 6 1HB ASP 6 -4.623 -7.125 -2.343
27 H LYS 7 H LYS 7 -2.701 -7.893 -1.943
28 HA LYS 7 HA LYS 7 0.052 -7.408 -2.282
29 HB2 LYS 7 2HB LYS 7 -0.847 -9.665 -1.809
30 HB3 LYS 7 1HB LYS 7 -1.623 -9.711 -3.380
31 HG2 LYS 7 2HG LYS 7 0.439 -11.063 -3.328
32 HG3 LYS 7 1HG LYS 7 0.544 -9.760 -4.517
33 HD2 LYS 7 2HD LYS 7 2.005 -8.476 -3.113
34 HD3 LYS 7 1HD LYS 7 1.697 -9.508 -1.714
35 HE2 LYS 7 2HE LYS 7 3.915 -9.952 -2.644
36 HE3 LYS 7 1HE LYS 7 2.885 -11.367 -2.828
37 HZ1 LYS 7 3HZ LYS 7 4.154 -10.985 -4.825
38 HZ2 LYS 7 1HZ LYS 7 3.549 -9.410 -4.963
39 HZ3 LYS 7 2HZ LYS 7 2.513 -10.727 -5.148
40 H ASP 8 H ASP 8 1.013 -6.318 -3.812
41 HA ASP 8 HA ASP 8 1.677 -5.361 -5.731
42 HB2 ASP 8 2HB ASP 8 0.019 -7.490 -7.154
43 HB3 ASP 8 1HB ASP 8 1.334 -6.550 -7.860
44 H GLU 9 H GLU 9 -0.903 -4.677 -4.421
45 HA GLU 9 HA GLU 9 -2.287 -3.247 -6.611
46 HB2 GLU 9 2HB GLU 9 -3.605 -4.969 -5.237
47 HB3 GLU 9 1HB GLU 9 -3.378 -3.935 -3.841
48 HG2 GLU 9 2HG GLU 9 -5.562 -3.472 -4.609
49 HG3 GLU 9 1HG GLU 9 -4.590 -2.108 -5.151
50 HA PRO 10 HA PRO 10 -0.244 0.419 -5.078
51 HB2 PRO 10 2HB PRO 10 -2.201 2.356 -5.716
52 HB3 PRO 10 1HB PRO 10 -0.995 1.708 -6.849
53 HG2 PRO 10 2HG PRO 10 -3.854 0.868 -6.449
54 HG3 PRO 10 1HG PRO 10 -2.951 1.091 -7.965
55 HD2 PRO 10 2HD PRO 10 -3.362 -1.368 -7.024
56 HD3 PRO 10 1HD PRO 10 -1.787 -0.948 -7.739
57 H CYS 11 H CYS 11 -0.083 1.567 -3.173
58 HA CYS 11 HA CYS 11 -2.092 1.042 -1.111
59 HB2 CYS 11 2HB CYS 11 -0.393 1.914 0.450
60 HB3 CYS 11 1HB CYS 11 0.280 0.655 -0.575
61 H CYS 12 H CYS 12 -3.424 2.549 -0.283
62 HA CYS 12 HA CYS 12 -3.485 5.238 -1.452
63 HB2 CYS 12 2HB CYS 12 -5.776 5.261 -0.233
64 HB3 CYS 12 1HB CYS 12 -5.591 4.164 -1.598
65 H GLY 13 H GLY 13 -2.134 6.598 -0.407
66 HA2 GLY 13 2HA GLY 13 -1.541 6.471 2.415
67 HA3 GLY 13 1HA GLY 13 -0.980 7.684 1.276
68 H ARG 14 H ARG 14 -2.456 7.588 4.041
69 HA ARG 14 HA ARG 14 -4.996 8.932 3.492
70 HB2 ARG 14 2HB ARG 14 -3.733 7.998 6.106
71 HB3 ARG 14 1HB ARG 14 -5.378 8.601 5.917
72 HG2 ARG 14 2HG ARG 14 -5.872 6.671 4.406
73 HG3 ARG 14 1HG ARG 14 -4.243 6.057 4.718
74 HD2 ARG 14 2HD ARG 14 -6.473 6.429 6.743
75 HD3 ARG 14 1HD ARG 14 -5.828 4.898 6.141
76 HE ARG 14 HE ARG 14 -4.143 6.796 7.668
77 HH11 ARG 14 1HH1 ARG 14 -5.422 3.552 7.302
78 HH12 ARG 14 2HH1 ARG 14 -4.450 2.903 8.582
79 HH21 ARG 14 1HH2 ARG 14 -2.916 5.962 9.343
80 HH22 ARG 14 2HH2 ARG 14 -3.024 4.274 9.741
81 HA PRO 15 HA PRO 15 -3.931 13.210 4.802
82 HB2 PRO 15 2HB PRO 15 -5.906 12.785 7.060
83 HB3 PRO 15 1HB PRO 15 -5.755 14.157 5.939
84 HG2 PRO 15 2HG PRO 15 -7.676 12.385 5.551
85 HG3 PRO 15 1HG PRO 15 -6.746 12.999 4.164
86 HD2 PRO 15 2HD PRO 15 -6.526 10.338 5.546
87 HD3 PRO 15 1HD PRO 15 -6.395 10.725 3.816
88 H ASP 16 H ASP 16 -4.087 10.745 7.383
89 HA ASP 16 HA ASP 16 -2.311 12.145 9.180
90 HB2 ASP 16 2HB ASP 16 -2.311 10.037 10.513
91 HB3 ASP 16 1HB ASP 16 -3.934 10.613 10.140
92 H GLY 17 H GLY 17 -1.796 10.343 6.356
93 HA2 GLY 17 2HA GLY 17 0.288 10.610 5.252
94 HA3 GLY 17 1HA GLY 17 1.128 10.529 6.791
95 H ALA 18 H ALA 18 -0.683 8.108 7.477
96 HA ALA 18 HA ALA 18 1.291 6.165 6.704
97 HB1 ALA 18 3HB ALA 18 0.186 6.046 8.901
98 HB2 ALA 18 1HB ALA 18 -0.072 4.559 7.982
99 HB3 ALA 18 2HB ALA 18 -1.367 5.751 8.115
100 H LYS 19 H LYS 19 1.296 4.870 4.988
101 HA LYS 19 HA LYS 19 -0.737 4.915 2.933
102 HB2 LYS 19 2HB LYS 19 1.729 3.111 3.172
103 HB3 LYS 19 1HB LYS 19 0.809 3.440 1.704
104 HG2 LYS 19 2HG LYS 19 1.594 5.728 1.634
105 HG3 LYS 19 1HG LYS 19 2.311 5.585 3.244
106 HD2 LYS 19 2HD LYS 19 3.231 4.109 0.737
107 HD3 LYS 19 1HD LYS 19 4.040 5.486 1.489
108 HE2 LYS 19 2HE LYS 19 4.380 4.084 3.551
109 HE3 LYS 19 1HE LYS 19 3.698 2.705 2.683
110 HZ1 LYS 19 3HZ LYS 19 6.184 4.187 2.016
111 HZ2 LYS 19 1HZ LYS 19 5.493 2.997 1.030
112 HZ3 LYS 19 2HZ LYS 19 6.053 2.595 2.569
113 H VAL 20 H VAL 20 -2.405 3.453 2.709
114 HA VAL 20 HA VAL 20 -2.830 1.460 4.752
115 HB VAL 20 HB VAL 20 -4.506 2.026 2.260
116 HG11 VAL 20 1HG1 VAL 20 -4.905 -0.281 3.047
117 HG12 VAL 20 2HG1 VAL 20 -6.313 0.726 3.386
118 HG13 VAL 20 3HG1 VAL 20 -5.195 0.306 4.686
119 HG21 VAL 20 3HG2 VAL 20 -4.458 3.948 3.792
120 HG22 VAL 20 1HG2 VAL 20 -4.922 2.909 5.144
121 HG23 VAL 20 2HG2 VAL 20 -6.052 3.189 3.815
122 H CYS 21 H CYS 21 -1.896 -0.402 4.709
123 HA CYS 21 HA CYS 21 -2.206 -2.191 2.425
124 HB2 CYS 21 2HB CYS 21 0.443 -1.933 3.915
125 HB3 CYS 21 1HB CYS 21 0.075 -3.101 2.653
126 H ASN 22 H ASN 22 -2.905 -4.193 3.151
127 HA ASN 22 HA ASN 22 -3.247 -4.619 6.008
128 HB2 ASN 22 2HB ASN 22 -4.356 -6.714 5.404
129 HB3 ASN 22 1HB ASN 22 -4.987 -5.407 4.424
130 HD21 ASN 22 1HD2 ASN 22 -4.609 -5.418 2.183
131 HD22 ASN 22 2HD2 ASN 22 -4.000 -6.817 1.363
132 H ASP 23 H ASP 23 -2.070 -6.055 7.298
133 HA ASP 23 HA ASP 23 0.651 -6.481 6.577
134 HB2 ASP 23 2HB ASP 23 0.724 -7.736 8.828
135 HB3 ASP 23 1HB ASP 23 0.294 -6.031 8.874
136 HA PRO 24 HA PRO 24 2.351 -7.734 6.917
137 HB2 PRO 24 2HB PRO 24 4.174 -9.454 5.998
138 HB3 PRO 24 1HB PRO 24 3.093 -9.947 7.326
139 HG2 PRO 24 2HG PRO 24 2.974 -10.697 4.419
140 HG3 PRO 24 1HG PRO 24 2.610 -11.681 5.854
141 HD2 PRO 24 2HD PRO 24 0.715 -10.262 4.248
142 HD3 PRO 24 1HD PRO 24 0.402 -11.061 5.804
143 H TRP 25 H TRP 25 0.843 -7.438 4.088
144 HA TRP 25 HA TRP 25 2.904 -7.004 2.155
145 HB2 TRP 25 2HB TRP 25 0.116 -5.761 2.191
146 HB3 TRP 25 1HB TRP 25 1.182 -5.868 0.797
147 HD1 TRP 25 HD1 TRP 25 -1.870 -7.123 1.273
148 HE1 TRP 25 HE1 TRP 25 -2.242 -9.562 0.579
149 HE3 TRP 25 HE3 TRP 25 2.998 -8.767 1.290
150 HZ2 TRP 25 HZ2 TRP 25 -0.723 -11.859 0.099
151 HZ3 TRP 25 HZ3 TRP 25 3.431 -11.111 0.694
152 HH2 TRP 25 HH2 TRP 25 1.610 -12.628 0.115
153 H VAL 26 H VAL 26 4.279 -5.371 2.009
154 HA VAL 26 HA VAL 26 3.813 -2.788 3.362
155 HB VAL 26 HB VAL 26 6.430 -4.174 2.612
156 HG11 VAL 26 1HG1 VAL 26 7.596 -2.268 3.722
157 HG12 VAL 26 2HG1 VAL 26 6.048 -1.440 3.897
158 HG13 VAL 26 3HG1 VAL 26 6.704 -1.748 2.289
159 HG21 VAL 26 3HG2 VAL 26 5.360 -5.134 4.612
160 HG22 VAL 26 1HG2 VAL 26 5.235 -3.528 5.337
161 HG23 VAL 26 2HG2 VAL 26 6.822 -4.253 5.064
162 H CYS 27 H CYS 27 3.585 -1.034 2.101
163 HA CYS 27 HA CYS 27 3.808 -1.177 -0.775
164 HB2 CYS 27 2HB CYS 27 2.007 0.136 0.369
165 HB3 CYS 27 1HB CYS 27 3.228 1.259 0.961
166 H ILE 28 H ILE 28 5.777 -1.138 -1.669
167 HA ILE 28 HA ILE 28 8.057 0.232 -0.502
168 HB ILE 28 HB ILE 28 7.841 -1.091 -3.251
169 HG12 ILE 28 2HG1 ILE 28 7.287 -2.772 -1.557
170 HG13 ILE 28 1HG1 ILE 28 8.899 -3.106 -2.182
171 HG21 ILE 28 1HG2 ILE 28 10.309 -1.273 -3.141
172 HG22 ILE 28 2HG2 ILE 28 10.308 -0.410 -1.602
173 HG23 ILE 28 3HG2 ILE 28 9.780 0.410 -3.073
174 HD11 ILE 28 3HD1 ILE 28 9.859 -2.077 -0.154
175 HD12 ILE 28 1HD1 ILE 28 8.819 -3.459 0.190
176 HD13 ILE 28 2HD1 ILE 28 8.222 -1.824 0.464
177 H LEU 29 H LEU 29 9.092 2.122 -1.416
178 HA LEU 29 HA LEU 29 7.122 4.073 -1.960
179 HB2 LEU 29 2HB LEU 29 10.136 4.251 -1.765
180 HB3 LEU 29 1HB LEU 29 9.168 5.659 -2.150
181 HG LEU 29 HG LEU 29 9.657 5.751 0.203
182 HD11 LEU 29 1HD1 LEU 29 7.448 5.820 1.207
183 HD12 LEU 29 2HD1 LEU 29 6.786 4.845 -0.106
184 HD13 LEU 29 3HD1 LEU 29 7.410 6.464 -0.431
185 HD21 LEU 29 3HD2 LEU 29 10.219 3.407 0.627
186 HD22 LEU 29 1HD2 LEU 29 8.517 2.952 0.507
187 HD23 LEU 29 2HD2 LEU 29 9.067 3.999 1.822
188 H THR 30 H THR 30 9.493 2.559 -4.129
189 HA THR 30 HA THR 30 9.079 4.419 -6.291
190 HB THR 30 HB THR 30 10.284 1.632 -6.493
191 HG1 THR 30 HG1 THR 30 11.164 3.775 -5.105
192 HG21 THR 30 3HG2 THR 30 11.601 2.577 -8.346
193 HG22 THR 30 1HG2 THR 30 10.838 4.153 -8.110
194 HG23 THR 30 2HG2 THR 30 9.877 2.781 -8.669
195 H SER 31 H SER 31 8.071 1.046 -5.645
196 HA SER 31 HA SER 31 6.548 0.694 -8.040
197 HB2 SER 31 2HB SER 31 5.818 -1.430 -6.935
198 HB3 SER 31 1HB SER 31 7.568 -1.210 -6.851
199 HG SER 31 HG SER 31 6.480 -1.871 -4.853
200 H SER 32 H SER 32 5.846 1.952 -4.900
201 HA SER 32 HA SER 32 4.092 2.714 -3.759
202 HB2 SER 32 2HB SER 32 2.484 4.138 -5.025
203 HB3 SER 32 1HB SER 32 4.154 4.434 -5.496
204 HG SER 32 HG SER 32 2.711 2.557 -6.967
205 H ARG 33 H ARG 33 3.971 -0.123 -4.491
206 HA ARG 33 HA ARG 33 1.066 -0.601 -4.143
207 HB2 ARG 33 2HB ARG 33 1.353 -2.773 -5.389
208 HB3 ARG 33 1HB ARG 33 1.565 -1.342 -6.390
209 HG2 ARG 33 2HG ARG 33 3.961 -1.608 -6.410
210 HG3 ARG 33 1HG ARG 33 3.891 -2.915 -5.226
211 HD2 ARG 33 2HD ARG 33 4.278 -3.689 -7.570
212 HD3 ARG 33 1HD ARG 33 2.835 -4.384 -6.827
213 HE ARG 33 HE ARG 33 2.214 -2.033 -8.337
214 HH11 ARG 33 1HH1 ARG 33 2.913 -5.460 -8.741
215 HH12 ARG 33 2HH1 ARG 33 2.042 -5.582 -10.229
216 HH21 ARG 33 1HH2 ARG 33 1.025 -2.252 -10.285
217 HH22 ARG 33 2HH2 ARG 33 0.979 -3.782 -11.100
218 H CYS 34 H CYS 34 0.489 -2.106 -2.623
219 HA CYS 34 HA CYS 34 2.377 -2.751 -0.561
220 HB2 CYS 34 2HB CYS 34 -0.490 -3.733 -0.834
221 HB3 CYS 34 1HB CYS 34 0.474 -3.660 0.640
222 H GLU 35 H GLU 35 3.870 -4.274 -1.154
223 HA GLU 35 HA GLU 35 2.950 -6.893 -2.202
224 HB2 GLU 35 2HB GLU 35 5.111 -7.001 -3.438
225 HB3 GLU 35 1HB GLU 35 4.080 -5.673 -3.967
226 HG2 GLU 35 2HG GLU 35 5.433 -4.085 -2.629
227 HG3 GLU 35 1HG GLU 35 6.476 -5.416 -2.114
228 H ASN 36 H ASN 36 5.087 -8.460 -1.917
229 HA ASN 36 HA ASN 36 5.152 -8.899 0.907
230 HB2 ASN 36 2HB ASN 36 6.453 -10.921 0.374
231 HB3 ASN 36 1HB ASN 36 5.055 -10.785 -0.679
232 HD21 ASN 36 1HD2 ASN 36 8.528 -10.731 -0.510
233 HD22 ASN 36 2HD2 ASN 36 8.812 -10.760 -2.214
234 HA PRO 37 HA PRO 37 8.931 -6.618 2.046
235 HB2 PRO 37 2HB PRO 37 9.257 -8.899 4.004
236 HB3 PRO 37 1HB PRO 37 9.290 -7.146 4.299
237 HG2 PRO 37 2HG PRO 37 7.155 -8.551 5.003
238 HG3 PRO 37 1HG PRO 37 6.964 -6.950 4.250
239 HD2 PRO 37 2HD PRO 37 6.617 -9.670 2.997
240 HD3 PRO 37 1HD PRO 37 5.634 -8.200 2.786
Start of MODEL 2
1 H1 ASP 1 1H ASP 1 -5.995 -4.471 -9.767
2 H2 ASP 1 2H ASP 1 -7.659 -4.759 -9.858
3 H3 ASP 1 3H ASP 1 -6.970 -4.235 -8.410
4 HA ASP 1 HA ASP 1 -6.402 -2.140 -9.332
5 HB2 ASP 1 2HB ASP 1 -6.004 -2.928 -11.659
6 HB3 ASP 1 1HB ASP 1 -7.730 -3.222 -11.859
7 H GLY 2 H GLY 2 -7.819 -0.540 -8.768
8 HA2 GLY 2 2HA GLY 2 -9.987 0.493 -8.734
9 HA3 GLY 2 1HA GLY 2 -10.743 -1.094 -8.691
10 H GLU 3 H GLU 3 -8.830 -2.087 -6.649
11 HA GLU 3 HA GLU 3 -9.868 -0.675 -4.269
12 HB2 GLU 3 2HB GLU 3 -9.612 -2.712 -3.022
13 HB3 GLU 3 1HB GLU 3 -10.382 -3.163 -4.534
14 HG2 GLU 3 2HG GLU 3 -7.394 -3.452 -4.082
15 HG3 GLU 3 1HG GLU 3 -8.534 -4.706 -3.626
16 H CYS 4 H CYS 4 -8.243 -1.029 -2.337
17 HA CYS 4 HA CYS 4 -5.451 -0.552 -3.182
18 HB2 CYS 4 2HB CYS 4 -5.250 1.298 -1.574
19 HB3 CYS 4 1HB CYS 4 -6.507 1.657 -2.752
20 H GLY 5 H GLY 5 -3.911 -1.284 -1.719
21 HA2 GLY 5 2HA GLY 5 -3.113 -1.809 0.433
22 HA3 GLY 5 1HA GLY 5 -4.739 -2.184 0.958
23 H ASP 6 H ASP 6 -4.251 -3.685 -1.981
24 HA ASP 6 HA ASP 6 -3.779 -6.300 -0.722
25 HB2 ASP 6 2HB ASP 6 -4.735 -5.483 -3.508
26 HB3 ASP 6 1HB ASP 6 -4.381 -7.154 -3.082
27 H LYS 7 H LYS 7 -2.318 -7.853 -1.931
28 HA LYS 7 HA LYS 7 0.288 -6.719 -2.197
29 HB2 LYS 7 2HB LYS 7 -0.060 -9.001 -1.286
30 HB3 LYS 7 1HB LYS 7 -0.607 -9.545 -2.869
31 HG2 LYS 7 2HG LYS 7 1.641 -8.967 -3.812
32 HG3 LYS 7 1HG LYS 7 2.177 -8.528 -2.185
33 HD2 LYS 7 2HD LYS 7 1.866 -10.828 -1.422
34 HD3 LYS 7 1HD LYS 7 1.179 -11.284 -2.983
35 HE2 LYS 7 2HE LYS 7 4.030 -10.329 -2.546
36 HE3 LYS 7 1HE LYS 7 3.544 -12.013 -2.741
37 HZ1 LYS 7 3HZ LYS 7 2.756 -11.504 -4.957
38 HZ2 LYS 7 1HZ LYS 7 4.382 -11.065 -4.806
39 HZ3 LYS 7 2HZ LYS 7 3.178 -9.877 -4.782
40 H ASP 8 H ASP 8 1.529 -6.373 -3.990
41 HA ASP 8 HA ASP 8 2.046 -5.565 -6.019
42 HB2 ASP 8 2HB ASP 8 0.209 -7.715 -7.158
43 HB3 ASP 8 1HB ASP 8 1.570 -6.951 -7.977
44 H GLU 9 H GLU 9 -0.218 -4.404 -4.634
45 HA GLU 9 HA GLU 9 -1.740 -3.191 -6.852
46 HB2 GLU 9 2HB GLU 9 -2.904 -5.261 -5.655
47 HB3 GLU 9 1HB GLU 9 -3.190 -4.131 -4.344
48 HG2 GLU 9 2HG GLU 9 -5.158 -4.251 -5.697
49 HG3 GLU 9 1HG GLU 9 -4.425 -2.663 -5.939
50 HA PRO 10 HA PRO 10 -0.417 0.518 -4.783
51 HB2 PRO 10 2HB PRO 10 -2.530 2.266 -5.401
52 HB3 PRO 10 1HB PRO 10 -1.189 1.853 -6.493
53 HG2 PRO 10 2HG PRO 10 -3.939 0.651 -6.354
54 HG3 PRO 10 1HG PRO 10 -2.994 1.150 -7.780
55 HD2 PRO 10 2HD PRO 10 -3.128 -1.417 -7.116
56 HD3 PRO 10 1HD PRO 10 -1.585 -0.731 -7.665
57 H CYS 11 H CYS 11 -0.559 1.619 -2.885
58 HA CYS 11 HA CYS 11 -2.615 0.804 -0.948
59 HB2 CYS 11 2HB CYS 11 -1.149 1.828 0.738
60 HB3 CYS 11 1HB CYS 11 -0.223 0.721 -0.266
61 H CYS 12 H CYS 12 -4.179 2.204 -0.211
62 HA CYS 12 HA CYS 12 -4.388 4.904 -1.279
63 HB2 CYS 12 2HB CYS 12 -6.429 4.859 0.454
64 HB3 CYS 12 1HB CYS 12 -6.531 4.007 -1.079
65 H GLY 13 H GLY 13 -2.589 5.946 -0.538
66 HA2 GLY 13 2HA GLY 13 -1.619 5.794 2.171
67 HA3 GLY 13 1HA GLY 13 -0.983 6.783 0.863
68 H ARG 14 H ARG 14 -2.320 6.974 3.805
69 HA ARG 14 HA ARG 14 -4.237 9.082 3.530
70 HB2 ARG 14 2HB ARG 14 -2.854 7.763 5.886
71 HB3 ARG 14 1HB ARG 14 -3.977 9.102 6.107
72 HG2 ARG 14 2HG ARG 14 -5.826 7.830 5.265
73 HG3 ARG 14 1HG ARG 14 -4.767 6.569 4.635
74 HD2 ARG 14 2HD ARG 14 -6.013 5.940 6.728
75 HD3 ARG 14 1HD ARG 14 -4.258 5.777 6.847
76 HE ARG 14 HE ARG 14 -5.075 8.336 7.782
77 HH11 ARG 14 1HH1 ARG 14 -5.082 4.965 8.787
78 HH12 ARG 14 2HH1 ARG 14 -5.081 5.361 10.471
79 HH21 ARG 14 1HH2 ARG 14 -4.999 8.810 9.982
80 HH22 ARG 14 2HH2 ARG 14 -5.032 7.530 11.152
81 HA PRO 15 HA PRO 15 -1.613 12.690 3.487
82 HB2 PRO 15 2HB PRO 15 -3.095 14.492 4.980
83 HB3 PRO 15 1HB PRO 15 -3.508 14.024 3.316
84 HG2 PRO 15 2HG PRO 15 -4.609 12.952 5.908
85 HG3 PRO 15 1HG PRO 15 -5.488 13.459 4.444
86 HD2 PRO 15 2HD PRO 15 -5.021 10.859 4.927
87 HD3 PRO 15 1HD PRO 15 -4.915 11.502 3.269
88 H ASP 16 H ASP 16 -2.588 11.392 6.591
89 HA ASP 16 HA ASP 16 -0.579 12.768 8.156
90 HB2 ASP 16 2HB ASP 16 -1.275 11.180 9.976
91 HB3 ASP 16 1HB ASP 16 -2.595 12.129 9.306
92 H GLY 17 H GLY 17 -0.597 10.016 6.102
93 HA2 GLY 17 2HA GLY 17 1.589 9.377 5.257
94 HA3 GLY 17 1HA GLY 17 2.189 9.388 6.905
95 H ALA 18 H ALA 18 -0.762 8.025 7.206
96 HA ALA 18 HA ALA 18 0.331 5.384 7.529
97 HB1 ALA 18 3HB ALA 18 -1.350 6.266 9.073
98 HB2 ALA 18 1HB ALA 18 -1.911 4.772 8.319
99 HB3 ALA 18 2HB ALA 18 -2.538 6.330 7.774
100 H LYS 19 H LYS 19 0.923 4.497 5.596
101 HA LYS 19 HA LYS 19 -0.668 4.402 3.220
102 HB2 LYS 19 2HB LYS 19 1.638 2.598 4.075
103 HB3 LYS 19 1HB LYS 19 1.003 2.757 2.440
104 HG2 LYS 19 2HG LYS 19 1.842 5.013 2.248
105 HG3 LYS 19 1HG LYS 19 2.281 5.055 3.959
106 HD2 LYS 19 2HD LYS 19 3.521 3.213 1.868
107 HD3 LYS 19 1HD LYS 19 4.260 4.699 2.467
108 HE2 LYS 19 2HE LYS 19 4.386 3.732 4.733
109 HE3 LYS 19 1HE LYS 19 3.580 2.269 4.175
110 HZ1 LYS 19 3HZ LYS 19 5.456 1.817 2.750
111 HZ2 LYS 19 1HZ LYS 19 5.954 1.984 4.350
112 HZ3 LYS 19 2HZ LYS 19 6.225 3.234 3.253
113 H VAL 20 H VAL 20 -2.545 3.273 3.110
114 HA VAL 20 HA VAL 20 -3.203 1.214 5.028
115 HB VAL 20 HB VAL 20 -4.795 2.302 2.662
116 HG11 VAL 20 1HG1 VAL 20 -6.790 1.257 3.739
117 HG12 VAL 20 2HG1 VAL 20 -5.739 0.498 4.937
118 HG13 VAL 20 3HG1 VAL 20 -5.607 0.046 3.238
119 HG21 VAL 20 3HG2 VAL 20 -4.344 4.008 4.398
120 HG22 VAL 20 1HG2 VAL 20 -5.002 2.938 5.641
121 HG23 VAL 20 2HG2 VAL 20 -6.052 3.580 4.376
122 H CYS 21 H CYS 21 -2.392 -0.709 4.801
123 HA CYS 21 HA CYS 21 -2.846 -2.313 2.406
124 HB2 CYS 21 2HB CYS 21 -0.107 -2.165 3.746
125 HB3 CYS 21 1HB CYS 21 -0.547 -3.228 2.414
126 H ASN 22 H ASN 22 -3.031 -4.586 2.936
127 HA ASN 22 HA ASN 22 -3.459 -5.190 5.756
128 HB2 ASN 22 2HB ASN 22 -4.473 -7.242 5.077
129 HB3 ASN 22 1HB ASN 22 -5.005 -6.052 3.901
130 HD21 ASN 22 1HD2 ASN 22 -4.159 -6.176 1.750
131 HD22 ASN 22 2HD2 ASN 22 -3.440 -7.638 1.153
132 H ASP 23 H ASP 23 -2.147 -6.512 7.014
133 HA ASP 23 HA ASP 23 0.627 -6.643 6.350
134 HB2 ASP 23 2HB ASP 23 0.900 -7.754 8.556
135 HB3 ASP 23 1HB ASP 23 -0.088 -6.305 8.670
136 HA PRO 24 HA PRO 24 2.493 -7.909 6.925
137 HB2 PRO 24 2HB PRO 24 4.504 -9.270 5.787
138 HB3 PRO 24 1HB PRO 24 3.499 -10.052 7.030
139 HG2 PRO 24 2HG PRO 24 3.338 -10.334 4.032
140 HG3 PRO 24 1HG PRO 24 3.278 -11.599 5.282
141 HD2 PRO 24 2HD PRO 24 1.023 -10.479 4.087
142 HD3 PRO 24 1HD PRO 24 1.023 -11.274 5.677
143 H TRP 25 H TRP 25 1.055 -7.490 4.049
144 HA TRP 25 HA TRP 25 3.205 -6.781 2.288
145 HB2 TRP 25 2HB TRP 25 0.274 -6.035 1.887
146 HB3 TRP 25 1HB TRP 25 1.506 -6.284 0.653
147 HD1 TRP 25 HD1 TRP 25 -1.443 -7.917 1.553
148 HE1 TRP 25 HE1 TRP 25 -1.380 -10.469 1.309
149 HE3 TRP 25 HE3 TRP 25 3.636 -8.606 1.366
150 HZ2 TRP 25 HZ2 TRP 25 0.545 -12.509 1.091
151 HZ3 TRP 25 HZ3 TRP 25 4.494 -10.898 1.141
152 HH2 TRP 25 HH2 TRP 25 2.984 -12.814 1.008
153 H VAL 26 H VAL 26 4.384 -5.023 2.530
154 HA VAL 26 HA VAL 26 3.370 -2.532 3.716
155 HB VAL 26 HB VAL 26 6.210 -3.327 2.881
156 HG11 VAL 26 1HG1 VAL 26 6.953 -1.365 4.219
157 HG12 VAL 26 2HG1 VAL 26 5.268 -0.936 4.526
158 HG13 VAL 26 3HG1 VAL 26 5.906 -0.881 2.883
159 HG21 VAL 26 3HG2 VAL 26 4.995 -3.313 5.685
160 HG22 VAL 26 1HG2 VAL 26 6.681 -3.654 5.292
161 HG23 VAL 26 2HG2 VAL 26 5.412 -4.750 4.748
162 H CYS 27 H CYS 27 2.957 -0.752 2.482
163 HA CYS 27 HA CYS 27 3.081 -0.795 -0.369
164 HB2 CYS 27 2HB CYS 27 1.362 0.512 0.790
165 HB3 CYS 27 1HB CYS 27 2.593 1.572 1.470
166 H ILE 28 H ILE 28 5.001 -0.869 -1.306
167 HA ILE 28 HA ILE 28 7.340 0.583 -0.427
168 HB ILE 28 HB ILE 28 6.949 -0.836 -3.111
169 HG12 ILE 28 2HG1 ILE 28 6.337 -2.456 -1.361
170 HG13 ILE 28 1HG1 ILE 28 7.888 -2.904 -2.063
171 HG21 ILE 28 1HG2 ILE 28 9.472 -0.249 -1.511
172 HG22 ILE 28 2HG2 ILE 28 8.957 0.575 -2.982
173 HG23 ILE 28 3HG2 ILE 28 9.416 -1.127 -3.041
174 HD11 ILE 28 3HD1 ILE 28 7.905 -3.249 0.310
175 HD12 ILE 28 1HD1 ILE 28 7.440 -1.572 0.604
176 HD13 ILE 28 2HD1 ILE 28 9.017 -1.944 -0.096
177 H LEU 29 H LEU 29 7.699 2.694 -0.956
178 HA LEU 29 HA LEU 29 5.746 4.257 -2.255
179 HB2 LEU 29 2HB LEU 29 8.528 4.905 -1.251
180 HB3 LEU 29 1HB LEU 29 7.556 6.126 -2.047
181 HG LEU 29 HG LEU 29 7.400 6.437 0.343
182 HD11 LEU 29 1HD1 LEU 29 4.998 6.382 0.699
183 HD12 LEU 29 2HD1 LEU 29 4.797 5.284 -0.669
184 HD13 LEU 29 3HD1 LEU 29 5.389 6.926 -0.931
185 HD21 LEU 29 3HD2 LEU 29 7.971 4.166 1.090
186 HD22 LEU 29 1HD2 LEU 29 6.373 3.594 0.603
187 HD23 LEU 29 2HD2 LEU 29 6.534 4.783 1.900
188 H THR 30 H THR 30 8.857 3.026 -3.419
189 HA THR 30 HA THR 30 9.122 4.562 -5.783
190 HB THR 30 HB THR 30 10.644 2.632 -6.524
191 HG1 THR 30 HG1 THR 30 10.723 0.851 -5.316
192 HG21 THR 30 3HG2 THR 30 11.571 4.538 -5.260
193 HG22 THR 30 1HG2 THR 30 12.353 3.033 -4.775
194 HG23 THR 30 2HG2 THR 30 11.128 3.765 -3.738
195 H SER 31 H SER 31 7.471 1.490 -5.147
196 HA SER 31 HA SER 31 6.533 1.294 -7.934
197 HB2 SER 31 2HB SER 31 5.754 -0.978 -7.201
198 HB3 SER 31 1HB SER 31 7.484 -0.736 -6.952
199 HG SER 31 HG SER 31 6.430 -1.678 -5.139
200 H SER 32 H SER 32 5.544 2.665 -5.052
201 HA SER 32 HA SER 32 3.693 3.432 -4.052
202 HB2 SER 32 2HB SER 32 1.942 4.435 -5.492
203 HB3 SER 32 1HB SER 32 3.555 4.783 -6.112
204 HG SER 32 HG SER 32 2.352 2.501 -7.126
205 H ARG 33 H ARG 33 3.850 0.445 -4.333
206 HA ARG 33 HA ARG 33 0.984 -0.225 -4.010
207 HB2 ARG 33 2HB ARG 33 1.240 -2.267 -5.351
208 HB3 ARG 33 1HB ARG 33 1.634 -0.846 -6.314
209 HG2 ARG 33 2HG ARG 33 4.032 -1.288 -5.991
210 HG3 ARG 33 1HG ARG 33 3.651 -2.717 -5.035
211 HD2 ARG 33 2HD ARG 33 4.282 -3.344 -7.304
212 HD3 ARG 33 1HD ARG 33 2.584 -3.740 -7.021
213 HE ARG 33 HE ARG 33 2.386 -1.313 -8.145
214 HH11 ARG 33 1HH1 ARG 33 4.255 -4.107 -9.174
215 HH12 ARG 33 2HH1 ARG 33 4.148 -3.702 -10.857
216 HH21 ARG 33 1HH2 ARG 33 2.239 -0.819 -10.357
217 HH22 ARG 33 2HH2 ARG 33 3.010 -1.838 -11.527
218 H CYS 34 H CYS 34 0.496 -1.903 -2.607
219 HA CYS 34 HA CYS 34 2.373 -2.508 -0.524
220 HB2 CYS 34 2HB CYS 34 -0.288 -3.917 -0.958
221 HB3 CYS 34 1HB CYS 34 0.552 -3.629 0.561
222 H GLU 35 H GLU 35 3.980 -3.962 -0.819
223 HA GLU 35 HA GLU 35 3.407 -6.620 -1.974
224 HB2 GLU 35 2HB GLU 35 5.928 -4.961 -2.458
225 HB3 GLU 35 1HB GLU 35 5.748 -6.655 -2.909
226 HG2 GLU 35 2HG GLU 35 4.004 -6.096 -4.505
227 HG3 GLU 35 1HG GLU 35 4.032 -4.405 -4.006
228 H ASN 36 H ASN 36 5.770 -7.910 -1.375
229 HA ASN 36 HA ASN 36 5.621 -8.367 1.409
230 HB2 ASN 36 2HB ASN 36 7.611 -9.815 1.113
231 HB3 ASN 36 1HB ASN 36 6.424 -10.096 -0.155
232 HD21 ASN 36 1HD2 ASN 36 9.602 -8.817 0.568
233 HD22 ASN 36 2HD2 ASN 36 10.138 -8.684 -1.069
234 HA PRO 37 HA PRO 37 8.395 -5.291 3.370
235 HB2 PRO 37 2HB PRO 37 9.403 -7.756 4.831
236 HB3 PRO 37 1HB PRO 37 8.936 -6.169 5.487
237 HG2 PRO 37 2HG PRO 37 7.283 -8.234 5.717
238 HG3 PRO 37 1HG PRO 37 6.661 -6.611 5.337
239 HD2 PRO 37 2HD PRO 37 6.983 -8.975 3.518
240 HD3 PRO 37 1HD PRO 37 5.732 -7.715 3.521
Start of MODEL 3
1 H1 ASP 1 1H ASP 1 -8.154 -5.668 -6.567
2 H2 ASP 1 2H ASP 1 -7.648 -7.006 -7.477
3 H3 ASP 1 3H ASP 1 -9.291 -6.663 -7.326
4 HA ASP 1 HA ASP 1 -7.301 -4.936 -8.648
5 HB2 ASP 1 2HB ASP 1 -9.459 -6.730 -9.865
6 HB3 ASP 1 1HB ASP 1 -8.450 -5.602 -10.774
7 H GLY 2 H GLY 2 -7.961 -2.934 -7.990
8 HA2 GLY 2 2HA GLY 2 -9.472 -1.187 -8.923
9 HA3 GLY 2 1HA GLY 2 -10.817 -2.185 -8.402
10 H GLU 3 H GLU 3 -9.189 -2.822 -5.870
11 HA GLU 3 HA GLU 3 -9.834 -0.343 -4.383
12 HB2 GLU 3 2HB GLU 3 -9.645 -1.727 -2.321
13 HB3 GLU 3 1HB GLU 3 -10.908 -2.272 -3.409
14 HG2 GLU 3 2HG GLU 3 -8.195 -3.611 -3.442
15 HG3 GLU 3 1HG GLU 3 -9.367 -4.015 -2.191
16 H CYS 4 H CYS 4 -8.104 -0.676 -2.185
17 HA CYS 4 HA CYS 4 -5.391 -0.489 -3.363
18 HB2 CYS 4 2HB CYS 4 -4.989 1.573 -2.037
19 HB3 CYS 4 1HB CYS 4 -6.296 1.803 -3.195
20 H GLY 5 H GLY 5 -3.881 -1.549 -2.145
21 HA2 GLY 5 2HA GLY 5 -2.815 -1.530 0.069
22 HA3 GLY 5 1HA GLY 5 -4.369 -1.907 0.776
23 H ASP 6 H ASP 6 -4.074 -3.752 -2.011
24 HA ASP 6 HA ASP 6 -3.407 -6.138 -0.412
25 HB2 ASP 6 2HB ASP 6 -4.455 -6.002 -3.275
26 HB3 ASP 6 1HB ASP 6 -4.327 -7.449 -2.278
27 H LYS 7 H LYS 7 -2.230 -7.905 -1.745
28 HA LYS 7 HA LYS 7 0.427 -7.028 -2.225
29 HB2 LYS 7 2HB LYS 7 -0.399 -9.290 -1.278
30 HB3 LYS 7 1HB LYS 7 -0.707 -9.772 -2.936
31 HG2 LYS 7 2HG LYS 7 2.035 -8.884 -1.974
32 HG3 LYS 7 1HG LYS 7 1.484 -10.556 -1.859
33 HD2 LYS 7 2HD LYS 7 1.229 -10.657 -4.310
34 HD3 LYS 7 1HD LYS 7 1.715 -8.967 -4.445
35 HE2 LYS 7 2HE LYS 7 3.938 -9.538 -3.536
36 HE3 LYS 7 1HE LYS 7 3.453 -11.233 -3.427
37 HZ1 LYS 7 3HZ LYS 7 3.571 -9.652 -5.938
38 HZ2 LYS 7 1HZ LYS 7 3.190 -11.293 -5.805
39 HZ3 LYS 7 2HZ LYS 7 4.744 -10.757 -5.420
40 H ASP 8 H ASP 8 1.311 -6.313 -4.042
41 HA ASP 8 HA ASP 8 1.676 -5.493 -6.095
42 HB2 ASP 8 2HB ASP 8 -0.062 -7.810 -7.044
43 HB3 ASP 8 1HB ASP 8 0.847 -6.761 -8.126
44 H GLU 9 H GLU 9 -0.798 -4.732 -4.493
45 HA GLU 9 HA GLU 9 -2.401 -3.413 -6.626
46 HB2 GLU 9 2HB GLU 9 -3.646 -5.001 -5.126
47 HB3 GLU 9 1HB GLU 9 -3.140 -4.063 -3.733
48 HG2 GLU 9 2HG GLU 9 -5.339 -3.358 -4.058
49 HG3 GLU 9 1HG GLU 9 -4.405 -2.080 -4.830
50 HA PRO 10 HA PRO 10 -0.477 0.578 -5.433
51 HB2 PRO 10 2HB PRO 10 -2.907 2.028 -5.989
52 HB3 PRO 10 1HB PRO 10 -1.527 1.799 -7.081
53 HG2 PRO 10 2HG PRO 10 -4.066 0.219 -6.879
54 HG3 PRO 10 1HG PRO 10 -3.138 0.676 -8.326
55 HD2 PRO 10 2HD PRO 10 -2.985 -1.808 -7.452
56 HD3 PRO 10 1HD PRO 10 -1.478 -0.993 -7.934
57 H CYS 11 H CYS 11 -0.246 1.351 -3.413
58 HA CYS 11 HA CYS 11 -2.226 0.827 -1.342
59 HB2 CYS 11 2HB CYS 11 -0.504 1.536 0.213
60 HB3 CYS 11 1HB CYS 11 0.262 0.498 -0.983
61 H CYS 12 H CYS 12 -3.643 2.342 -0.591
62 HA CYS 12 HA CYS 12 -3.637 5.036 -1.695
63 HB2 CYS 12 2HB CYS 12 -5.728 5.187 -0.051
64 HB3 CYS 12 1HB CYS 12 -5.832 4.282 -1.554
65 H GLY 13 H GLY 13 -3.218 6.949 -0.569
66 HA2 GLY 13 2HA GLY 13 -1.404 6.596 1.723
67 HA3 GLY 13 1HA GLY 13 -1.512 7.997 0.674
68 H ARG 14 H ARG 14 -2.298 6.798 3.666
69 HA ARG 14 HA ARG 14 -4.661 8.123 4.400
70 HB2 ARG 14 2HB ARG 14 -2.221 7.161 5.926
71 HB3 ARG 14 1HB ARG 14 -3.546 7.964 6.759
72 HG2 ARG 14 2HG ARG 14 -5.085 6.215 6.199
73 HG3 ARG 14 1HG ARG 14 -3.938 5.474 5.084
74 HD2 ARG 14 2HD ARG 14 -4.219 4.324 7.352
75 HD3 ARG 14 1HD ARG 14 -2.562 4.678 6.852
76 HE ARG 14 HE ARG 14 -3.254 6.848 8.350
77 HH11 ARG 14 1HH1 ARG 14 -3.321 3.400 9.051
78 HH12 ARG 14 2HH1 ARG 14 -3.029 3.637 10.742
79 HH21 ARG 14 1HH2 ARG 14 -2.756 7.110 10.516
80 HH22 ARG 14 2HH2 ARG 14 -2.709 5.734 11.571
81 HA PRO 15 HA PRO 15 -3.471 12.426 4.491
82 HB2 PRO 15 2HB PRO 15 -5.098 13.456 6.474
83 HB3 PRO 15 1HB PRO 15 -5.701 12.957 4.877
84 HG2 PRO 15 2HG PRO 15 -5.740 11.423 7.467
85 HG3 PRO 15 1HG PRO 15 -7.032 11.622 6.261
86 HD2 PRO 15 2HD PRO 15 -5.519 9.374 6.359
87 HD3 PRO 15 1HD PRO 15 -6.116 10.023 4.815
88 H ASP 16 H ASP 16 -2.697 10.446 7.176
89 HA ASP 16 HA ASP 16 -1.051 12.523 8.489
90 HB2 ASP 16 2HB ASP 16 -0.650 10.838 10.262
91 HB3 ASP 16 1HB ASP 16 -2.364 11.130 10.004
92 H GLY 17 H GLY 17 -0.696 10.564 5.907
93 HA2 GLY 17 2HA GLY 17 1.246 10.484 4.608
94 HA3 GLY 17 1HA GLY 17 2.233 10.699 6.043
95 H ALA 18 H ALA 18 -0.111 8.326 6.608
96 HA ALA 18 HA ALA 18 1.918 6.211 6.480
97 HB1 ALA 18 3HB ALA 18 -0.884 6.163 7.652
98 HB2 ALA 18 1HB ALA 18 0.607 6.458 8.547
99 HB3 ALA 18 2HB ALA 18 0.325 4.884 7.801
100 H LYS 19 H LYS 19 1.403 4.104 5.508
101 HA LYS 19 HA LYS 19 -0.095 4.423 2.971
102 HB2 LYS 19 2HB LYS 19 2.023 2.361 3.724
103 HB3 LYS 19 1HB LYS 19 1.283 2.546 2.140
104 HG2 LYS 19 2HG LYS 19 3.007 4.680 3.454
105 HG3 LYS 19 1HG LYS 19 3.634 3.439 2.375
106 HD2 LYS 19 2HD LYS 19 3.383 5.234 0.909
107 HD3 LYS 19 1HD LYS 19 1.863 4.382 0.658
108 HE2 LYS 19 2HE LYS 19 0.727 5.997 2.159
109 HE3 LYS 19 1HE LYS 19 2.266 6.820 2.429
110 HZ1 LYS 19 3HZ LYS 19 0.918 7.951 0.787
111 HZ2 LYS 19 1HZ LYS 19 0.891 6.566 -0.190
112 HZ3 LYS 19 2HZ LYS 19 2.346 7.375 0.095
113 H VAL 20 H VAL 20 -1.947 3.325 2.705
114 HA VAL 20 HA VAL 20 -2.944 1.441 4.657
115 HB VAL 20 HB VAL 20 -4.159 2.190 1.953
116 HG11 VAL 20 1HG1 VAL 20 -5.454 0.842 4.363
117 HG12 VAL 20 2HG1 VAL 20 -5.064 0.065 2.827
118 HG13 VAL 20 3HG1 VAL 20 -6.291 1.330 2.884
119 HG21 VAL 20 3HG2 VAL 20 -5.629 3.733 3.201
120 HG22 VAL 20 1HG2 VAL 20 -3.931 4.188 3.361
121 HG23 VAL 20 2HG2 VAL 20 -4.753 3.372 4.690
122 H CYS 21 H CYS 21 -2.057 -0.474 4.662
123 HA CYS 21 HA CYS 21 -2.217 -2.194 2.288
124 HB2 CYS 21 2HB CYS 21 0.213 -2.018 4.125
125 HB3 CYS 21 1HB CYS 21 -0.028 -3.245 2.884
126 H ASN 22 H ASN 22 -2.989 -4.242 2.818
127 HA ASN 22 HA ASN 22 -3.777 -4.782 5.553
128 HB2 ASN 22 2HB ASN 22 -4.878 -6.738 4.748
129 HB3 ASN 22 1HB ASN 22 -5.136 -5.528 3.507
130 HD21 ASN 22 1HD2 ASN 22 -4.042 -5.768 1.497
131 HD22 ASN 22 2HD2 ASN 22 -3.379 -7.297 1.013
132 H ASP 23 H ASP 23 -2.689 -6.057 6.978
133 HA ASP 23 HA ASP 23 0.074 -6.567 6.654
134 HB2 ASP 23 2HB ASP 23 -0.126 -7.725 8.883
135 HB3 ASP 23 1HB ASP 23 -0.796 -6.101 8.865
136 HA PRO 24 HA PRO 24 1.691 -7.844 7.193
137 HB2 PRO 24 2HB PRO 24 3.565 -9.667 6.646
138 HB3 PRO 24 1HB PRO 24 2.257 -10.072 7.781
139 HG2 PRO 24 2HG PRO 24 2.617 -10.945 4.939
140 HG3 PRO 24 1HG PRO 24 1.927 -11.833 6.316
141 HD2 PRO 24 2HD PRO 24 0.480 -10.351 4.319
142 HD3 PRO 24 1HD PRO 24 -0.183 -11.136 5.769
143 H TRP 25 H TRP 25 0.652 -7.323 4.312
144 HA TRP 25 HA TRP 25 3.091 -7.078 2.716
145 HB2 TRP 25 2HB TRP 25 0.329 -6.000 1.987
146 HB3 TRP 25 1HB TRP 25 1.653 -6.400 0.892
147 HD1 TRP 25 HD1 TRP 25 -1.546 -7.692 1.637
148 HE1 TRP 25 HE1 TRP 25 -1.725 -10.231 1.346
149 HE3 TRP 25 HE3 TRP 25 3.437 -8.879 1.618
150 HZ2 TRP 25 HZ2 TRP 25 -0.008 -12.442 1.145
151 HZ3 TRP 25 HZ3 TRP 25 4.077 -11.241 1.378
152 HH2 TRP 25 HH2 TRP 25 2.388 -12.985 1.150
153 H VAL 26 H VAL 26 4.096 -5.144 2.171
154 HA VAL 26 HA VAL 26 3.174 -2.662 3.522
155 HB VAL 26 HB VAL 26 5.553 -2.012 3.899
156 HG11 VAL 26 1HG1 VAL 26 6.002 -3.504 5.821
157 HG12 VAL 26 2HG1 VAL 26 4.804 -4.651 5.218
158 HG13 VAL 26 3HG1 VAL 26 4.302 -3.041 5.742
159 HG21 VAL 26 3HG2 VAL 26 7.374 -3.698 3.713
160 HG22 VAL 26 1HG2 VAL 26 6.661 -3.332 2.142
161 HG23 VAL 26 2HG2 VAL 26 6.245 -4.834 2.969
162 H CYS 27 H CYS 27 3.303 -0.812 2.338
163 HA CYS 27 HA CYS 27 3.564 -1.036 -0.521
164 HB2 CYS 27 2HB CYS 27 1.768 0.327 0.433
165 HB3 CYS 27 1HB CYS 27 2.947 1.392 1.193
166 H ILE 28 H ILE 28 5.439 -0.927 -1.500
167 HA ILE 28 HA ILE 28 7.761 0.460 -0.473
168 HB ILE 28 HB ILE 28 7.188 -0.892 -3.165
169 HG12 ILE 28 2HG1 ILE 28 9.080 -2.468 -2.405
170 HG13 ILE 28 1HG1 ILE 28 8.990 -1.694 -0.824
171 HG21 ILE 28 1HG2 ILE 28 9.788 0.476 -2.384
172 HG22 ILE 28 2HG2 ILE 28 8.672 0.982 -3.653
173 HG23 ILE 28 3HG2 ILE 28 9.557 -0.534 -3.815
174 HD11 ILE 28 3HD1 ILE 28 7.805 -3.814 -0.868
175 HD12 ILE 28 1HD1 ILE 28 6.772 -3.239 -2.176
176 HD13 ILE 28 2HD1 ILE 28 6.683 -2.484 -0.582
177 H LEU 29 H LEU 29 8.190 2.592 -0.814
178 HA LEU 29 HA LEU 29 6.124 4.322 -1.701
179 HB2 LEU 29 2HB LEU 29 9.025 4.915 -0.990
180 HB3 LEU 29 1HB LEU 29 7.838 6.161 -1.318
181 HG LEU 29 HG LEU 29 8.082 6.062 1.050
182 HD11 LEU 29 1HD1 LEU 29 5.865 5.498 1.855
183 HD12 LEU 29 2HD1 LEU 29 5.529 4.601 0.372
184 HD13 LEU 29 3HD1 LEU 29 5.796 6.347 0.314
185 HD21 LEU 29 3HD2 LEU 29 7.618 3.063 0.984
186 HD22 LEU 29 1HD2 LEU 29 7.830 4.055 2.433
187 HD23 LEU 29 2HD2 LEU 29 9.156 3.874 1.286
188 H THR 30 H THR 30 8.985 3.041 -3.280
189 HA THR 30 HA THR 30 9.141 4.859 -5.483
190 HB THR 30 HB THR 30 10.164 1.985 -5.418
191 HG1 THR 30 HG1 THR 30 12.042 2.865 -4.444
192 HG21 THR 30 3HG2 THR 30 11.250 4.460 -6.829
193 HG22 THR 30 1HG2 THR 30 10.412 3.119 -7.615
194 HG23 THR 30 2HG2 THR 30 11.982 2.855 -6.854
195 H SER 31 H SER 31 7.455 1.781 -4.927
196 HA SER 31 HA SER 31 6.440 1.632 -7.680
197 HB2 SER 31 2HB SER 31 5.536 -0.558 -6.954
198 HB3 SER 31 1HB SER 31 7.252 -0.438 -6.555
199 HG SER 31 HG SER 31 6.065 -1.251 -4.803
200 H SER 32 H SER 32 5.517 2.790 -4.601
201 HA SER 32 HA SER 32 3.683 3.412 -3.498
202 HB2 SER 32 2HB SER 32 2.057 4.823 -4.758
203 HB3 SER 32 1HB SER 32 3.727 5.222 -5.133
204 HG SER 32 HG SER 32 3.511 4.089 -7.068
205 H ARG 33 H ARG 33 3.743 0.672 -4.006
206 HA ARG 33 HA ARG 33 0.894 0.014 -3.760
207 HB2 ARG 33 2HB ARG 33 1.023 -1.900 -5.283
208 HB3 ARG 33 1HB ARG 33 1.397 -0.408 -6.136
209 HG2 ARG 33 2HG ARG 33 3.767 -0.931 -6.124
210 HG3 ARG 33 1HG ARG 33 3.488 -2.369 -5.138
211 HD2 ARG 33 2HD ARG 33 3.814 -2.962 -7.492
212 HD3 ARG 33 1HD ARG 33 2.179 -3.371 -6.958
213 HE ARG 33 HE ARG 33 2.517 -0.785 -8.268
214 HH11 ARG 33 1HH1 ARG 33 1.598 -4.159 -8.687
215 HH12 ARG 33 2HH1 ARG 33 0.707 -3.848 -10.140
216 HH21 ARG 33 1HH2 ARG 33 1.296 -0.406 -10.133
217 HH22 ARG 33 2HH2 ARG 33 0.535 -1.730 -10.956
218 H CYS 34 H CYS 34 0.453 -1.777 -2.491
219 HA CYS 34 HA CYS 34 2.455 -2.560 -0.581
220 HB2 CYS 34 2HB CYS 34 -0.342 -3.712 -0.903
221 HB3 CYS 34 1HB CYS 34 0.668 -3.733 0.544
222 H GLU 35 H GLU 35 3.800 -4.238 -0.769
223 HA GLU 35 HA GLU 35 3.173 -6.559 -2.489
224 HB2 GLU 35 2HB GLU 35 5.807 -4.998 -2.427
225 HB3 GLU 35 1HB GLU 35 5.558 -6.520 -3.282
226 HG2 GLU 35 2HG GLU 35 3.933 -5.465 -4.769
227 HG3 GLU 35 1HG GLU 35 4.068 -3.942 -3.887
228 H ASN 36 H ASN 36 5.165 -8.220 -2.065
229 HA ASN 36 HA ASN 36 5.103 -8.916 0.721
230 HB2 ASN 36 2HB ASN 36 6.483 -10.882 0.060
231 HB3 ASN 36 1HB ASN 36 5.061 -10.706 -0.947
232 HD21 ASN 36 1HD2 ASN 36 8.534 -10.545 -0.852
233 HD22 ASN 36 2HD2 ASN 36 8.788 -10.483 -2.556
234 HA PRO 37 HA PRO 37 8.767 -6.463 1.808
235 HB2 PRO 37 2HB PRO 37 8.784 -8.001 4.366
236 HB3 PRO 37 1HB PRO 37 8.529 -6.264 4.104
237 HG2 PRO 37 2HG PRO 37 6.513 -7.880 4.862
238 HG3 PRO 37 1HG PRO 37 6.252 -6.494 3.779
239 HD2 PRO 37 2HD PRO 37 6.489 -9.417 3.071
240 HD3 PRO 37 1HD PRO 37 5.341 -8.196 2.468
Start of MODEL 4
1 H1 ASP 1 1H ASP 1 -6.846 -5.003 -9.316
2 H2 ASP 1 2H ASP 1 -8.257 -4.979 -8.384
3 H3 ASP 1 3H ASP 1 -6.980 -3.937 -8.014
4 HA ASP 1 HA ASP 1 -7.274 -2.720 -10.011
5 HB2 ASP 1 2HB ASP 1 -9.472 -4.752 -10.601
6 HB3 ASP 1 1HB ASP 1 -9.213 -3.277 -11.535
7 H GLY 2 H GLY 2 -8.019 -0.872 -9.145
8 HA2 GLY 2 2HA GLY 2 -9.601 0.699 -8.511
9 HA3 GLY 2 1HA GLY 2 -10.814 -0.562 -8.385
10 H GLU 3 H GLU 3 -9.170 -2.200 -6.567
11 HA GLU 3 HA GLU 3 -9.722 -0.859 -4.050
12 HB2 GLU 3 2HB GLU 3 -9.207 -3.047 -3.033
13 HB3 GLU 3 1HB GLU 3 -10.383 -3.210 -4.332
14 HG2 GLU 3 2HG GLU 3 -8.549 -3.966 -5.846
15 HG3 GLU 3 1HG GLU 3 -7.433 -3.880 -4.483
16 H CYS 4 H CYS 4 -7.916 -1.479 -2.286
17 HA CYS 4 HA CYS 4 -5.223 -0.842 -3.238
18 HB2 CYS 4 2HB CYS 4 -5.016 1.163 -1.874
19 HB3 CYS 4 1HB CYS 4 -6.399 1.357 -2.943
20 H GLY 5 H GLY 5 -3.603 -1.357 -1.757
21 HA2 GLY 5 2HA GLY 5 -2.779 -1.632 0.450
22 HA3 GLY 5 1HA GLY 5 -4.375 -2.094 0.997
23 H ASP 6 H ASP 6 -4.000 -3.809 -1.745
24 HA ASP 6 HA ASP 6 -3.280 -6.246 -0.261
25 HB2 ASP 6 2HB ASP 6 -4.669 -5.809 -2.941
26 HB3 ASP 6 1HB ASP 6 -4.300 -7.401 -2.284
27 H LYS 7 H LYS 7 -2.234 -7.986 -1.786
28 HA LYS 7 HA LYS 7 0.419 -7.124 -2.302
29 HB2 LYS 7 2HB LYS 7 -0.570 -9.518 -1.630
30 HB3 LYS 7 1HB LYS 7 -0.585 -9.784 -3.366
31 HG2 LYS 7 2HG LYS 7 1.869 -9.022 -1.735
32 HG3 LYS 7 1HG LYS 7 1.450 -10.670 -2.202
33 HD2 LYS 7 2HD LYS 7 1.699 -10.066 -4.583
34 HD3 LYS 7 1HD LYS 7 2.068 -8.399 -4.139
35 HE2 LYS 7 2HE LYS 7 4.114 -9.136 -3.010
36 HE3 LYS 7 1HE LYS 7 3.734 -10.819 -3.383
37 HZ1 LYS 7 3HZ LYS 7 4.259 -8.688 -5.388
38 HZ2 LYS 7 1HZ LYS 7 3.926 -10.314 -5.725
39 HZ3 LYS 7 2HZ LYS 7 5.350 -9.895 -4.916
40 H ASP 8 H ASP 8 1.245 -6.236 -4.071
41 HA ASP 8 HA ASP 8 1.565 -5.347 -6.121
42 HB2 ASP 8 2HB ASP 8 -0.047 -7.750 -7.086
43 HB3 ASP 8 1HB ASP 8 0.818 -6.653 -8.157
44 H GLU 9 H GLU 9 -0.609 -4.499 -4.489
45 HA GLU 9 HA GLU 9 -2.437 -3.335 -6.519
46 HB2 GLU 9 2HB GLU 9 -3.437 -5.106 -4.910
47 HB3 GLU 9 1HB GLU 9 -3.188 -3.943 -3.624
48 HG2 GLU 9 2HG GLU 9 -5.463 -3.764 -4.238
49 HG3 GLU 9 1HG GLU 9 -4.673 -2.346 -4.935
50 HA PRO 10 HA PRO 10 -0.530 0.540 -5.221
51 HB2 PRO 10 2HB PRO 10 -2.792 2.208 -5.667
52 HB3 PRO 10 1HB PRO 10 -1.577 1.762 -6.883
53 HG2 PRO 10 2HG PRO 10 -4.256 0.522 -6.355
54 HG3 PRO 10 1HG PRO 10 -3.464 0.875 -7.910
55 HD2 PRO 10 2HD PRO 10 -3.488 -1.617 -6.994
56 HD3 PRO 10 1HD PRO 10 -2.006 -0.976 -7.738
57 H CYS 11 H CYS 11 -0.223 1.360 -3.196
58 HA CYS 11 HA CYS 11 -2.131 0.787 -1.086
59 HB2 CYS 11 2HB CYS 11 -0.464 1.773 0.434
60 HB3 CYS 11 1HB CYS 11 0.276 0.585 -0.627
61 H CYS 12 H CYS 12 -3.665 2.137 -0.357
62 HA CYS 12 HA CYS 12 -4.002 4.788 -1.485
63 HB2 CYS 12 2HB CYS 12 -6.070 4.650 0.216
64 HB3 CYS 12 1HB CYS 12 -6.079 3.763 -1.302
65 H GLY 13 H GLY 13 -3.369 6.633 -0.577
66 HA2 GLY 13 2HA GLY 13 -1.657 6.557 1.749
67 HA3 GLY 13 1HA GLY 13 -1.950 7.920 0.686
68 H ARG 14 H ARG 14 -2.187 7.105 3.754
69 HA ARG 14 HA ARG 14 -4.628 8.286 4.619
70 HB2 ARG 14 2HB ARG 14 -2.011 7.521 5.912
71 HB3 ARG 14 1HB ARG 14 -3.115 8.552 6.809
72 HG2 ARG 14 2HG ARG 14 -3.834 5.818 5.716
73 HG3 ARG 14 1HG ARG 14 -3.316 6.145 7.374
74 HD2 ARG 14 2HD ARG 14 -5.291 7.813 7.490
75 HD3 ARG 14 1HD ARG 14 -5.861 7.065 5.996
76 HE ARG 14 HE ARG 14 -6.366 5.111 7.157
77 HH11 ARG 14 1HH1 ARG 14 -4.879 7.444 9.351
78 HH12 ARG 14 2HH1 ARG 14 -5.369 6.582 10.772
79 HH21 ARG 14 1HH2 ARG 14 -7.024 4.033 9.035
80 HH22 ARG 14 2HH2 ARG 14 -6.582 4.655 10.591
81 HA PRO 15 HA PRO 15 -3.633 12.753 4.251
82 HB2 PRO 15 2HB PRO 15 -5.343 12.754 6.748
83 HB3 PRO 15 1HB PRO 15 -5.422 13.825 5.329
84 HG2 PRO 15 2HG PRO 15 -7.208 11.891 5.587
85 HG3 PRO 15 1HG PRO 15 -6.479 12.215 3.996
86 HD2 PRO 15 2HD PRO 15 -5.882 9.979 5.923
87 HD3 PRO 15 1HD PRO 15 -5.960 9.951 4.145
88 H ASP 16 H ASP 16 -3.326 10.901 7.289
89 HA ASP 16 HA ASP 16 -1.601 12.775 8.611
90 HB2 ASP 16 2HB ASP 16 -1.157 10.911 10.231
91 HB3 ASP 16 1HB ASP 16 -2.866 11.240 9.987
92 H GLY 17 H GLY 17 -1.057 10.166 6.340
93 HA2 GLY 17 2HA GLY 17 0.903 10.575 4.892
94 HA3 GLY 17 1HA GLY 17 1.862 10.781 6.346
95 H ALA 18 H ALA 18 -0.260 8.282 6.967
96 HA ALA 18 HA ALA 18 1.750 6.222 6.629
97 HB1 ALA 18 3HB ALA 18 0.235 6.198 8.577
98 HB2 ALA 18 1HB ALA 18 0.067 4.716 7.628
99 HB3 ALA 18 2HB ALA 18 -1.151 5.989 7.511
100 H LYS 19 H LYS 19 1.262 4.177 5.478
101 HA LYS 19 HA LYS 19 -0.333 4.525 2.994
102 HB2 LYS 19 2HB LYS 19 2.168 2.846 3.492
103 HB3 LYS 19 1HB LYS 19 1.207 2.776 2.013
104 HG2 LYS 19 2HG LYS 19 1.701 5.116 1.534
105 HG3 LYS 19 1HG LYS 19 2.580 5.278 3.054
106 HD2 LYS 19 2HD LYS 19 3.434 3.296 0.917
107 HD3 LYS 19 1HD LYS 19 3.943 4.982 0.864
108 HE2 LYS 19 2HE LYS 19 5.701 3.664 1.888
109 HE3 LYS 19 1HE LYS 19 4.991 4.706 3.113
110 HZ1 LYS 19 3HZ LYS 19 5.423 2.478 3.936
111 HZ2 LYS 19 1HZ LYS 19 4.408 1.814 2.757
112 HZ3 LYS 19 2HZ LYS 19 3.768 2.811 3.965
113 H VAL 20 H VAL 20 -2.139 3.368 2.989
114 HA VAL 20 HA VAL 20 -2.725 1.451 5.070
115 HB VAL 20 HB VAL 20 -4.445 2.358 2.699
116 HG11 VAL 20 1HG1 VAL 20 -5.264 0.778 5.182
117 HG12 VAL 20 2HG1 VAL 20 -5.209 0.153 3.532
118 HG13 VAL 20 3HG1 VAL 20 -6.373 1.407 3.958
119 HG21 VAL 20 3HG2 VAL 20 -3.899 4.202 4.239
120 HG22 VAL 20 1HG2 VAL 20 -4.469 3.248 5.610
121 HG23 VAL 20 2HG2 VAL 20 -5.607 3.778 4.369
122 H CYS 21 H CYS 21 -1.950 -0.509 4.912
123 HA CYS 21 HA CYS 21 -2.403 -2.151 2.519
124 HB2 CYS 21 2HB CYS 21 0.213 -2.072 4.080
125 HB3 CYS 21 1HB CYS 21 -0.162 -3.199 2.780
126 H ASN 22 H ASN 22 -3.177 -4.197 3.049
127 HA ASN 22 HA ASN 22 -3.636 -4.837 5.851
128 HB2 ASN 22 2HB ASN 22 -4.854 -6.786 5.071
129 HB3 ASN 22 1HB ASN 22 -5.341 -5.405 4.104
130 HD21 ASN 22 1HD2 ASN 22 -4.760 -5.344 1.906
131 HD22 ASN 22 2HD2 ASN 22 -4.231 -6.761 1.067
132 H ASP 23 H ASP 23 -2.655 -6.548 6.991
133 HA ASP 23 HA ASP 23 0.134 -6.789 6.484
134 HB2 ASP 23 2HB ASP 23 0.231 -8.084 8.566
135 HB3 ASP 23 1HB ASP 23 -0.756 -6.644 8.776
136 HA PRO 24 HA PRO 24 1.847 -8.082 6.951
137 HB2 PRO 24 2HB PRO 24 3.867 -9.558 5.966
138 HB3 PRO 24 1HB PRO 24 2.719 -10.267 7.122
139 HG2 PRO 24 2HG PRO 24 2.913 -10.688 4.168
140 HG3 PRO 24 1HG PRO 24 2.415 -11.824 5.441
141 HD2 PRO 24 2HD PRO 24 0.689 -10.257 3.767
142 HD3 PRO 24 1HD PRO 24 0.206 -11.268 5.145
143 H TRP 25 H TRP 25 0.669 -7.413 4.048
144 HA TRP 25 HA TRP 25 2.935 -6.925 2.375
145 HB2 TRP 25 2HB TRP 25 0.184 -5.654 2.049
146 HB3 TRP 25 1HB TRP 25 1.379 -5.970 0.790
147 HD1 TRP 25 HD1 TRP 25 -1.815 -7.163 1.417
148 HE1 TRP 25 HE1 TRP 25 -2.151 -9.663 0.966
149 HE3 TRP 25 HE3 TRP 25 3.099 -8.693 1.384
150 HZ2 TRP 25 HZ2 TRP 25 -0.586 -11.967 0.645
151 HZ3 TRP 25 HZ3 TRP 25 3.575 -11.075 0.994
152 HH2 TRP 25 HH2 TRP 25 1.765 -12.677 0.633
153 H VAL 26 H VAL 26 4.191 -5.200 2.184
154 HA VAL 26 HA VAL 26 3.591 -2.696 3.653
155 HB VAL 26 HB VAL 26 6.095 -2.355 3.764
156 HG11 VAL 26 1HG1 VAL 26 6.529 -3.972 5.592
157 HG12 VAL 26 2HG1 VAL 26 5.124 -4.918 5.093
158 HG13 VAL 26 3HG1 VAL 26 4.908 -3.280 5.716
159 HG21 VAL 26 3HG2 VAL 26 7.625 -4.274 3.351
160 HG22 VAL 26 1HG2 VAL 26 6.802 -3.776 1.872
161 HG23 VAL 26 2HG2 VAL 26 6.269 -5.222 2.734
162 H CYS 27 H CYS 27 3.310 -0.940 2.385
163 HA CYS 27 HA CYS 27 3.649 -1.072 -0.455
164 HB2 CYS 27 2HB CYS 27 1.800 0.213 0.491
165 HB3 CYS 27 1HB CYS 27 2.935 1.323 1.263
166 H ILE 28 H ILE 28 5.548 -0.990 -1.345
167 HA ILE 28 HA ILE 28 7.780 0.545 -0.351
168 HB ILE 28 HB ILE 28 7.413 -0.919 -3.012
169 HG12 ILE 28 2HG1 ILE 28 8.834 -1.783 -0.448
170 HG13 ILE 28 1HG1 ILE 28 7.317 -2.441 -1.059
171 HG21 ILE 28 1HG2 ILE 28 9.129 0.834 -3.225
172 HG22 ILE 28 2HG2 ILE 28 9.887 -0.758 -3.243
173 HG23 ILE 28 3HG2 ILE 28 9.956 0.234 -1.785
174 HD11 ILE 28 3HD1 ILE 28 10.035 -2.705 -2.340
175 HD12 ILE 28 1HD1 ILE 28 8.524 -3.314 -3.020
176 HD13 ILE 28 2HD1 ILE 28 9.125 -3.955 -1.494
177 H LEU 29 H LEU 29 8.381 2.578 -1.023
178 HA LEU 29 HA LEU 29 6.386 4.347 -1.907
179 HB2 LEU 29 2HB LEU 29 9.393 4.707 -1.653
180 HB3 LEU 29 1HB LEU 29 8.341 6.023 -2.126
181 HG LEU 29 HG LEU 29 8.860 6.287 0.210
182 HD11 LEU 29 1HD1 LEU 29 6.651 6.324 1.248
183 HD12 LEU 29 2HD1 LEU 29 6.015 5.286 -0.032
184 HD13 LEU 29 3HD1 LEU 29 6.595 6.909 -0.413
185 HD21 LEU 29 3HD2 LEU 29 9.513 3.990 0.772
186 HD22 LEU 29 1HD2 LEU 29 7.822 3.480 0.721
187 HD23 LEU 29 2HD2 LEU 29 8.366 4.629 1.948
188 H THR 30 H THR 30 9.175 2.992 -3.642
189 HA THR 30 HA THR 30 8.963 4.562 -5.992
190 HB THR 30 HB THR 30 10.332 1.851 -5.691
191 HG1 THR 30 HG1 THR 30 11.158 4.468 -4.963
192 HG21 THR 30 3HG2 THR 30 11.831 2.664 -7.487
193 HG22 THR 30 1HG2 THR 30 10.911 4.173 -7.582
194 HG23 THR 30 2HG2 THR 30 10.160 2.648 -8.048
195 H SER 31 H SER 31 7.864 1.227 -5.250
196 HA SER 31 HA SER 31 6.613 0.862 -7.850
197 HB2 SER 31 2HB SER 31 5.924 -1.346 -6.899
198 HB3 SER 31 1HB SER 31 7.651 -1.058 -6.726
199 HG SER 31 HG SER 31 6.881 -1.851 -4.805
200 H SER 32 H SER 32 5.737 2.266 -4.880
201 HA SER 32 HA SER 32 3.907 3.133 -3.935
202 HB2 SER 32 2HB SER 32 2.305 4.284 -5.481
203 HB3 SER 32 1HB SER 32 3.988 4.586 -5.890
204 HG SER 32 HG SER 32 2.598 2.495 -7.161
205 H ARG 33 H ARG 33 3.888 0.225 -4.271
206 HA ARG 33 HA ARG 33 0.984 -0.333 -4.061
207 HB2 ARG 33 2HB ARG 33 1.270 -2.432 -5.287
208 HB3 ARG 33 1HB ARG 33 1.838 -1.099 -6.288
209 HG2 ARG 33 2HG ARG 33 4.181 -1.641 -5.675
210 HG3 ARG 33 1HG ARG 33 3.609 -2.998 -4.704
211 HD2 ARG 33 2HD ARG 33 2.643 -4.016 -6.772
212 HD3 ARG 33 1HD ARG 33 3.326 -2.684 -7.714
213 HE ARG 33 HE ARG 33 5.462 -3.689 -6.352
214 HH11 ARG 33 1HH1 ARG 33 3.132 -5.138 -8.557
215 HH12 ARG 33 2HH1 ARG 33 4.239 -6.342 -9.120
216 HH21 ARG 33 1HH2 ARG 33 6.871 -5.301 -7.063
217 HH22 ARG 33 2HH2 ARG 33 6.361 -6.435 -8.270
218 H CYS 34 H CYS 34 0.443 -1.882 -2.517
219 HA CYS 34 HA CYS 34 2.311 -2.443 -0.434
220 HB2 CYS 34 2HB CYS 34 -0.427 -3.676 -0.891
221 HB3 CYS 34 1HB CYS 34 0.489 -3.678 0.618
222 H GLU 35 H GLU 35 3.996 -3.580 -1.153
223 HA GLU 35 HA GLU 35 3.662 -6.025 -2.753
224 HB2 GLU 35 2HB GLU 35 5.203 -4.004 -3.378
225 HB3 GLU 35 1HB GLU 35 6.265 -4.575 -2.097
226 HG2 GLU 35 2HG GLU 35 6.561 -6.711 -3.275
227 HG3 GLU 35 1HG GLU 35 5.443 -6.192 -4.537
228 H ASN 36 H ASN 36 5.323 -7.813 -2.111
229 HA ASN 36 HA ASN 36 4.945 -8.583 0.613
230 HB2 ASN 36 2HB ASN 36 6.342 -10.556 0.036
231 HB3 ASN 36 1HB ASN 36 5.093 -10.272 -1.168
232 HD21 ASN 36 1HD2 ASN 36 8.525 -10.229 -0.542
233 HD22 ASN 36 2HD2 ASN 36 9.023 -10.055 -2.189
234 HA PRO 37 HA PRO 37 8.577 -6.588 2.478
235 HB2 PRO 37 2HB PRO 37 8.465 -8.877 4.427
236 HB3 PRO 37 1HB PRO 37 8.426 -7.128 4.738
237 HG2 PRO 37 2HG PRO 37 6.213 -8.591 4.988
238 HG3 PRO 37 1HG PRO 37 6.152 -6.951 4.298
239 HD2 PRO 37 2HD PRO 37 6.062 -9.600 2.861
240 HD3 PRO 37 1HD PRO 37 5.117 -8.121 2.564
Start of MODEL 5
1 H1 ASP 1 1H ASP 1 -9.395 -4.647 -7.846
2 H2 ASP 1 2H ASP 1 -7.960 -4.138 -7.096
3 H3 ASP 1 3H ASP 1 -7.930 -5.406 -8.214
4 HA ASP 1 HA ASP 1 -7.072 -3.295 -9.090
5 HB2 ASP 1 2HB ASP 1 -9.552 -4.511 -10.389
6 HB3 ASP 1 1HB ASP 1 -8.477 -3.380 -11.215
7 H GLY 2 H GLY 2 -7.235 -1.249 -8.345
8 HA2 GLY 2 2HA GLY 2 -8.192 0.922 -8.451
9 HA3 GLY 2 1HA GLY 2 -9.794 0.220 -8.586
10 H GLU 3 H GLU 3 -9.283 -1.661 -6.413
11 HA GLU 3 HA GLU 3 -9.703 -0.196 -4.002
12 HB2 GLU 3 2HB GLU 3 -9.455 -2.476 -2.958
13 HB3 GLU 3 1HB GLU 3 -10.599 -2.448 -4.299
14 HG2 GLU 3 2HG GLU 3 -8.722 -3.301 -5.779
15 HG3 GLU 3 1HG GLU 3 -7.767 -3.531 -4.313
16 H CYS 4 H CYS 4 -7.970 -1.382 -2.101
17 HA CYS 4 HA CYS 4 -5.222 -0.861 -2.879
18 HB2 CYS 4 2HB CYS 4 -4.896 1.019 -1.284
19 HB3 CYS 4 1HB CYS 4 -6.076 1.423 -2.525
20 H GLY 5 H GLY 5 -3.991 -2.310 -1.793
21 HA2 GLY 5 2HA GLY 5 -3.116 -2.266 0.618
22 HA3 GLY 5 1HA GLY 5 -4.662 -2.972 1.027
23 H ASP 6 H ASP 6 -4.165 -4.525 -1.757
24 HA ASP 6 HA ASP 6 -2.827 -6.792 -0.420
25 HB2 ASP 6 2HB ASP 6 -4.550 -6.618 -2.923
26 HB3 ASP 6 1HB ASP 6 -3.675 -8.087 -2.495
27 H LYS 7 H LYS 7 -1.585 -8.285 -1.972
28 HA LYS 7 HA LYS 7 0.833 -7.130 -2.818
29 HB2 LYS 7 2HB LYS 7 0.592 -9.522 -2.200
30 HB3 LYS 7 1HB LYS 7 -0.423 -9.801 -3.606
31 HG2 LYS 7 2HG LYS 7 1.751 -10.679 -4.090
32 HG3 LYS 7 1HG LYS 7 1.536 -9.230 -5.078
33 HD2 LYS 7 2HD LYS 7 2.915 -7.938 -3.487
34 HD3 LYS 7 1HD LYS 7 3.096 -9.369 -2.465
35 HE2 LYS 7 2HE LYS 7 5.104 -9.068 -3.818
36 HE3 LYS 7 1HE LYS 7 4.259 -10.526 -4.337
37 HZ1 LYS 7 3HZ LYS 7 3.370 -9.326 -6.215
38 HZ2 LYS 7 1HZ LYS 7 5.054 -9.187 -6.200
39 HZ3 LYS 7 2HZ LYS 7 4.093 -7.883 -5.701
40 H ASP 8 H ASP 8 1.498 -6.267 -4.730
41 HA ASP 8 HA ASP 8 1.439 -5.172 -6.688
42 HB2 ASP 8 2HB ASP 8 -0.170 -7.592 -7.602
43 HB3 ASP 8 1HB ASP 8 0.581 -6.418 -8.687
44 H GLU 9 H GLU 9 -0.710 -4.668 -4.751
45 HA GLU 9 HA GLU 9 -2.620 -3.285 -6.554
46 HB2 GLU 9 2HB GLU 9 -3.673 -5.046 -5.063
47 HB3 GLU 9 1HB GLU 9 -3.112 -4.149 -3.663
48 HG2 GLU 9 2HG GLU 9 -5.421 -3.615 -3.941
49 HG3 GLU 9 1HG GLU 9 -4.514 -2.194 -4.455
50 HA PRO 10 HA PRO 10 -0.531 0.522 -5.109
51 HB2 PRO 10 2HB PRO 10 -2.818 2.159 -5.585
52 HB3 PRO 10 1HB PRO 10 -1.550 1.786 -6.770
53 HG2 PRO 10 2HG PRO 10 -4.190 0.409 -6.346
54 HG3 PRO 10 1HG PRO 10 -3.415 0.897 -7.872
55 HD2 PRO 10 2HD PRO 10 -3.286 -1.632 -7.170
56 HD3 PRO 10 1HD PRO 10 -1.790 -0.852 -7.741
57 H CYS 11 H CYS 11 -0.434 1.560 -3.140
58 HA CYS 11 HA CYS 11 -2.388 0.845 -1.081
59 HB2 CYS 11 2HB CYS 11 -0.799 1.868 0.488
60 HB3 CYS 11 1HB CYS 11 0.013 0.698 -0.545
61 H CYS 12 H CYS 12 -3.859 2.240 -0.222
62 HA CYS 12 HA CYS 12 -4.165 4.917 -1.349
63 HB2 CYS 12 2HB CYS 12 -6.245 4.854 0.262
64 HB3 CYS 12 1HB CYS 12 -6.249 3.823 -1.164
65 H GLY 13 H GLY 13 -3.726 6.799 -0.270
66 HA2 GLY 13 2HA GLY 13 -2.008 6.566 2.107
67 HA3 GLY 13 1HA GLY 13 -2.092 7.922 0.998
68 H ARG 14 H ARG 14 -2.527 7.392 4.025
69 HA ARG 14 HA ARG 14 -4.986 8.820 4.565
70 HB2 ARG 14 2HB ARG 14 -2.641 7.982 6.335
71 HB3 ARG 14 1HB ARG 14 -4.090 8.778 6.940
72 HG2 ARG 14 2HG ARG 14 -4.076 6.061 5.577
73 HG3 ARG 14 1HG ARG 14 -4.002 6.300 7.324
74 HD2 ARG 14 2HD ARG 14 -6.203 7.454 7.236
75 HD3 ARG 14 1HD ARG 14 -6.276 7.145 5.493
76 HE ARG 14 HE ARG 14 -5.984 4.877 7.348
77 HH11 ARG 14 1HH1 ARG 14 -8.034 6.601 5.057
78 HH12 ARG 14 2HH1 ARG 14 -9.168 5.300 4.914
79 HH21 ARG 14 1HH2 ARG 14 -7.444 3.174 7.124
80 HH22 ARG 14 2HH2 ARG 14 -8.832 3.341 6.093
81 HA PRO 15 HA PRO 15 -3.360 13.028 4.230
82 HB2 PRO 15 2HB PRO 15 -4.661 13.491 6.916
83 HB3 PRO 15 1HB PRO 15 -4.808 14.438 5.416
84 HG2 PRO 15 2HG PRO 15 -6.793 12.841 6.121
85 HG3 PRO 15 1HG PRO 15 -6.268 12.891 4.421
86 HD2 PRO 15 2HD PRO 15 -5.675 10.799 6.511
87 HD3 PRO 15 1HD PRO 15 -6.091 10.590 4.794
88 H ASP 16 H ASP 16 -2.920 11.397 7.384
89 HA ASP 16 HA ASP 16 -0.761 13.120 8.251
90 HB2 ASP 16 2HB ASP 16 -0.613 11.748 10.216
91 HB3 ASP 16 1HB ASP 16 -2.322 11.926 9.844
92 H GLY 17 H GLY 17 -0.942 10.418 6.174
93 HA2 GLY 17 2HA GLY 17 0.887 10.133 4.645
94 HA3 GLY 17 1HA GLY 17 2.021 10.384 5.953
95 H ALA 18 H ALA 18 -0.592 8.350 6.815
96 HA ALA 18 HA ALA 18 1.100 6.007 6.953
97 HB1 ALA 18 3HB ALA 18 -0.861 4.906 7.954
98 HB2 ALA 18 1HB ALA 18 -1.876 6.281 7.509
99 HB3 ALA 18 2HB ALA 18 -0.588 6.483 8.695
100 H LYS 19 H LYS 19 1.142 4.262 5.555
101 HA LYS 19 HA LYS 19 -0.459 4.352 3.077
102 HB2 LYS 19 2HB LYS 19 1.904 2.581 3.833
103 HB3 LYS 19 1HB LYS 19 1.113 2.591 2.265
104 HG2 LYS 19 2HG LYS 19 2.601 4.956 3.457
105 HG3 LYS 19 1HG LYS 19 3.319 3.775 2.370
106 HD2 LYS 19 2HD LYS 19 2.805 5.436 0.861
107 HD3 LYS 19 1HD LYS 19 1.321 4.491 0.759
108 HE2 LYS 19 2HE LYS 19 0.858 6.900 0.881
109 HE3 LYS 19 1HE LYS 19 0.223 6.078 2.307
110 HZ1 LYS 19 3HZ LYS 19 2.127 6.832 3.570
111 HZ2 LYS 19 1HZ LYS 19 1.379 8.158 2.836
112 HZ3 LYS 19 2HZ LYS 19 2.812 7.538 2.196
113 H VAL 20 H VAL 20 -2.312 3.247 3.078
114 HA VAL 20 HA VAL 20 -2.964 1.272 5.088
115 HB VAL 20 HB VAL 20 -4.639 2.235 2.725
116 HG11 VAL 20 1HG1 VAL 20 -6.595 1.403 4.012
117 HG12 VAL 20 2HG1 VAL 20 -5.511 0.783 5.262
118 HG13 VAL 20 3HG1 VAL 20 -5.471 0.095 3.637
119 HG21 VAL 20 3HG2 VAL 20 -5.731 3.779 4.320
120 HG22 VAL 20 1HG2 VAL 20 -4.001 4.117 4.188
121 HG23 VAL 20 2HG2 VAL 20 -4.629 3.251 5.594
122 H CYS 21 H CYS 21 -1.899 -0.585 4.768
123 HA CYS 21 HA CYS 21 -2.653 -2.279 2.486
124 HB2 CYS 21 2HB CYS 21 0.160 -2.190 3.659
125 HB3 CYS 21 1HB CYS 21 -0.391 -3.239 2.359
126 H ASN 22 H ASN 22 -3.139 -4.420 3.123
127 HA ASN 22 HA ASN 22 -3.449 -4.890 5.987
128 HB2 ASN 22 2HB ASN 22 -4.637 -6.933 5.376
129 HB3 ASN 22 1HB ASN 22 -5.241 -5.600 4.414
130 HD21 ASN 22 1HD2 ASN 22 -4.887 -5.611 2.164
131 HD22 ASN 22 2HD2 ASN 22 -4.329 -7.028 1.334
132 H ASP 23 H ASP 23 -2.386 -6.540 7.180
133 HA ASP 23 HA ASP 23 0.375 -6.802 6.579
134 HB2 ASP 23 2HB ASP 23 0.531 -8.106 8.676
135 HB3 ASP 23 1HB ASP 23 -0.399 -6.632 8.901
136 HA PRO 24 HA PRO 24 2.145 -8.052 6.869
137 HB2 PRO 24 2HB PRO 24 4.098 -9.479 5.735
138 HB3 PRO 24 1HB PRO 24 3.017 -10.256 6.919
139 HG2 PRO 24 2HG PRO 24 2.990 -10.479 3.918
140 HG3 PRO 24 1HG PRO 24 2.702 -11.734 5.144
141 HD2 PRO 24 2HD PRO 24 0.696 -10.240 3.794
142 HD3 PRO 24 1HD PRO 24 0.454 -11.268 5.223
143 H TRP 25 H TRP 25 0.723 -7.440 4.019
144 HA TRP 25 HA TRP 25 2.844 -6.714 2.252
145 HB2 TRP 25 2HB TRP 25 0.016 -5.574 2.167
146 HB3 TRP 25 1HB TRP 25 1.150 -5.721 0.830
147 HD1 TRP 25 HD1 TRP 25 -1.940 -7.149 1.689
148 HE1 TRP 25 HE1 TRP 25 -2.245 -9.569 0.896
149 HE3 TRP 25 HE3 TRP 25 2.962 -8.370 0.819
150 HZ2 TRP 25 HZ2 TRP 25 -0.656 -11.712 0.048
151 HZ3 TRP 25 HZ3 TRP 25 3.473 -10.638 0.017
152 HH2 TRP 25 HH2 TRP 25 1.703 -12.276 -0.360
153 H VAL 26 H VAL 26 4.122 -4.988 2.312
154 HA VAL 26 HA VAL 26 3.395 -2.506 3.748
155 HB VAL 26 HB VAL 26 6.190 -3.466 2.951
156 HG11 VAL 26 1HG1 VAL 26 5.356 -1.168 4.771
157 HG12 VAL 26 2HG1 VAL 26 6.017 -1.008 3.144
158 HG13 VAL 26 3HG1 VAL 26 7.019 -1.666 4.437
159 HG21 VAL 26 3HG2 VAL 26 5.255 -4.981 4.662
160 HG22 VAL 26 1HG2 VAL 26 4.904 -3.601 5.707
161 HG23 VAL 26 2HG2 VAL 26 6.577 -4.017 5.326
162 H CYS 27 H CYS 27 3.114 -0.692 2.457
163 HA CYS 27 HA CYS 27 3.297 -0.891 -0.396
164 HB2 CYS 27 2HB CYS 27 1.572 0.517 0.645
165 HB3 CYS 27 1HB CYS 27 2.808 1.588 1.295
166 H ILE 28 H ILE 28 5.231 -1.007 -1.301
167 HA ILE 28 HA ILE 28 7.535 0.539 -0.461
168 HB ILE 28 HB ILE 28 7.102 -1.097 -3.012
169 HG12 ILE 28 2HG1 ILE 28 8.397 -1.914 -0.366
170 HG13 ILE 28 1HG1 ILE 28 6.883 -2.534 -1.024
171 HG21 ILE 28 1HG2 ILE 28 9.696 -0.067 -1.803
172 HG22 ILE 28 2HG2 ILE 28 8.922 0.545 -3.263
173 HG23 ILE 28 3HG2 ILE 28 9.559 -1.097 -3.235
174 HD11 ILE 28 3HD1 ILE 28 9.654 -2.983 -2.143
175 HD12 ILE 28 1HD1 ILE 28 8.155 -3.535 -2.900
176 HD13 ILE 28 2HD1 ILE 28 8.627 -4.154 -1.320
177 H LEU 29 H LEU 29 7.913 2.627 -1.106
178 HA LEU 29 HA LEU 29 5.830 4.063 -2.403
179 HB2 LEU 29 2HB LEU 29 8.559 4.896 -1.370
180 HB3 LEU 29 1HB LEU 29 7.514 6.043 -2.182
181 HG LEU 29 HG LEU 29 7.300 6.378 0.194
182 HD11 LEU 29 1HD1 LEU 29 4.922 6.150 0.546
183 HD12 LEU 29 2HD1 LEU 29 4.803 4.968 -0.760
184 HD13 LEU 29 3HD1 LEU 29 5.250 6.640 -1.112
185 HD21 LEU 29 3HD2 LEU 29 8.065 4.220 1.026
186 HD22 LEU 29 1HD2 LEU 29 6.567 3.450 0.493
187 HD23 LEU 29 2HD2 LEU 29 6.534 4.668 1.775
188 H THR 30 H THR 30 8.965 2.884 -3.551
189 HA THR 30 HA THR 30 9.009 4.531 -5.922
190 HB THR 30 HB THR 30 11.134 3.807 -4.885
191 HG1 THR 30 HG1 THR 30 10.554 3.766 -7.456
192 HG21 THR 30 3HG2 THR 30 10.471 1.530 -4.145
193 HG22 THR 30 1HG2 THR 30 11.966 1.513 -5.088
194 HG23 THR 30 2HG2 THR 30 10.450 1.002 -5.828
195 H SER 31 H SER 31 7.756 1.319 -5.132
196 HA SER 31 HA SER 31 7.024 0.794 -7.947
197 HB2 SER 31 2HB SER 31 6.226 -1.388 -7.087
198 HB3 SER 31 1HB SER 31 7.893 -1.097 -6.588
199 HG SER 31 HG SER 31 6.650 -1.871 -4.865
200 H SER 32 H SER 32 5.797 2.280 -5.168
201 HA SER 32 HA SER 32 3.888 3.139 -4.425
202 HB2 SER 32 2HB SER 32 2.402 4.209 -6.095
203 HB3 SER 32 1HB SER 32 4.099 4.489 -6.468
204 HG SER 32 HG SER 32 2.895 2.270 -7.639
205 H ARG 33 H ARG 33 3.934 0.299 -4.365
206 HA ARG 33 HA ARG 33 1.057 -0.298 -4.245
207 HB2 ARG 33 2HB ARG 33 1.378 -2.509 -5.380
208 HB3 ARG 33 1HB ARG 33 1.655 -1.140 -6.452
209 HG2 ARG 33 2HG ARG 33 4.069 -1.411 -6.262
210 HG3 ARG 33 1HG ARG 33 3.869 -2.711 -5.087
211 HD2 ARG 33 2HD ARG 33 4.416 -3.570 -7.328
212 HD3 ARG 33 1HD ARG 33 2.827 -4.119 -6.788
213 HE ARG 33 HE ARG 33 2.600 -1.744 -8.323
214 HH11 ARG 33 1HH1 ARG 33 3.183 -5.197 -8.722
215 HH12 ARG 33 2HH1 ARG 33 2.559 -5.219 -10.343
216 HH21 ARG 33 1HH2 ARG 33 1.825 -1.790 -10.428
217 HH22 ARG 33 2HH2 ARG 33 1.786 -3.282 -11.315
218 H CYS 34 H CYS 34 0.484 -1.878 -2.748
219 HA CYS 34 HA CYS 34 2.246 -2.445 -0.593
220 HB2 CYS 34 2HB CYS 34 -0.403 -3.802 -1.224
221 HB3 CYS 34 1HB CYS 34 0.404 -3.729 0.340
222 H GLU 35 H GLU 35 3.709 -4.044 -0.464
223 HA GLU 35 HA GLU 35 3.642 -6.394 -2.265
224 HB2 GLU 35 2HB GLU 35 5.943 -4.454 -1.754
225 HB3 GLU 35 1HB GLU 35 6.193 -6.054 -2.453
226 HG2 GLU 35 2HG GLU 35 4.420 -3.916 -3.682
227 HG3 GLU 35 1HG GLU 35 6.116 -4.151 -4.102
228 H ASN 36 H ASN 36 5.393 -8.008 -1.545
229 HA ASN 36 HA ASN 36 5.265 -8.521 1.280
230 HB2 ASN 36 2HB ASN 36 6.620 -10.530 0.767
231 HB3 ASN 36 1HB ASN 36 5.245 -10.394 -0.314
232 HD21 ASN 36 1HD2 ASN 36 8.659 -10.548 -0.080
233 HD22 ASN 36 2HD2 ASN 36 9.014 -10.458 -1.768
234 HA PRO 37 HA PRO 37 8.758 -5.819 2.271
235 HB2 PRO 37 2HB PRO 37 9.249 -6.733 4.850
236 HB3 PRO 37 1HB PRO 37 7.937 -5.613 4.428
237 HG2 PRO 37 2HG PRO 37 7.817 -8.584 4.853
238 HG3 PRO 37 1HG PRO 37 6.680 -7.325 5.387
239 HD2 PRO 37 2HD PRO 37 6.156 -8.862 3.226
240 HD3 PRO 37 1HD PRO 37 5.659 -7.158 3.299
Start of MODEL 6
1 H1 ASP 1 1H ASP 1 -6.979 -4.980 -10.103
2 H2 ASP 1 2H ASP 1 -8.390 -4.136 -9.696
3 H3 ASP 1 3H ASP 1 -7.026 -4.030 -8.704
4 HA ASP 1 HA ASP 1 -5.802 -2.878 -10.341
5 HB2 ASP 1 2HB ASP 1 -8.277 -3.230 -12.093
6 HB3 ASP 1 1HB ASP 1 -6.897 -2.216 -12.509
7 H GLY 2 H GLY 2 -5.887 -1.292 -8.757
8 HA2 GLY 2 2HA GLY 2 -6.322 1.099 -8.790
9 HA3 GLY 2 1HA GLY 2 -8.010 0.758 -9.132
10 H GLU 3 H GLU 3 -7.991 -1.470 -7.083
11 HA GLU 3 HA GLU 3 -8.703 0.251 -4.838
12 HB2 GLU 3 2HB GLU 3 -9.761 -1.710 -3.821
13 HB3 GLU 3 1HB GLU 3 -10.336 -1.439 -5.459
14 HG2 GLU 3 2HG GLU 3 -8.274 -3.536 -4.697
15 HG3 GLU 3 1HG GLU 3 -10.001 -3.854 -4.822
16 H CYS 4 H CYS 4 -7.911 -0.004 -2.694
17 HA CYS 4 HA CYS 4 -5.045 -0.707 -2.751
18 HB2 CYS 4 2HB CYS 4 -4.814 0.919 -0.904
19 HB3 CYS 4 1HB CYS 4 -5.525 1.647 -2.336
20 H GLY 5 H GLY 5 -4.039 -1.801 -1.115
21 HA2 GLY 5 2HA GLY 5 -3.987 -2.607 1.181
22 HA3 GLY 5 1HA GLY 5 -5.676 -3.034 1.036
23 H ASP 6 H ASP 6 -4.690 -4.008 -1.848
24 HA ASP 6 HA ASP 6 -4.034 -6.744 -0.958
25 HB2 ASP 6 2HB ASP 6 -5.026 -5.667 -3.626
26 HB3 ASP 6 1HB ASP 6 -4.476 -7.329 -3.427
27 H LYS 7 H LYS 7 -2.476 -7.981 -2.159
28 HA LYS 7 HA LYS 7 0.055 -6.674 -2.440
29 HB2 LYS 7 2HB LYS 7 -0.437 -9.051 -1.516
30 HB3 LYS 7 1HB LYS 7 -0.576 -9.565 -3.189
31 HG2 LYS 7 2HG LYS 7 1.919 -8.202 -2.139
32 HG3 LYS 7 1HG LYS 7 1.666 -9.936 -1.954
33 HD2 LYS 7 2HD LYS 7 1.576 -10.218 -4.385
34 HD3 LYS 7 1HD LYS 7 1.719 -8.476 -4.627
35 HE2 LYS 7 2HE LYS 7 3.964 -8.502 -3.645
36 HE3 LYS 7 1HE LYS 7 3.822 -10.234 -3.327
37 HZ1 LYS 7 3HZ LYS 7 5.093 -9.706 -5.349
38 HZ2 LYS 7 1HZ LYS 7 3.709 -9.013 -6.032
39 HZ3 LYS 7 2HZ LYS 7 3.739 -10.663 -5.662
40 H ASP 8 H ASP 8 1.137 -6.139 -4.292
41 HA ASP 8 HA ASP 8 1.443 -5.231 -6.309
42 HB2 ASP 8 2HB ASP 8 -0.074 -7.692 -7.232
43 HB3 ASP 8 1HB ASP 8 0.684 -6.566 -8.351
44 H GLU 9 H GLU 9 -1.086 -4.703 -4.753
45 HA GLU 9 HA GLU 9 -2.444 -3.077 -6.822
46 HB2 GLU 9 2HB GLU 9 -3.564 -4.425 -4.331
47 HB3 GLU 9 1HB GLU 9 -4.392 -3.055 -5.068
48 HG2 GLU 9 2HG GLU 9 -3.795 -5.714 -6.416
49 HG3 GLU 9 1HG GLU 9 -5.354 -5.195 -5.778
50 HA PRO 10 HA PRO 10 -0.857 0.558 -4.905
51 HB2 PRO 10 2HB PRO 10 -3.104 2.233 -4.666
52 HB3 PRO 10 1HB PRO 10 -2.178 1.986 -6.165
53 HG2 PRO 10 2HG PRO 10 -4.706 0.626 -5.267
54 HG3 PRO 10 1HG PRO 10 -4.285 1.284 -6.865
55 HD2 PRO 10 2HD PRO 10 -4.129 -1.333 -6.451
56 HD3 PRO 10 1HD PRO 10 -2.856 -0.513 -7.386
57 H CYS 11 H CYS 11 -0.524 1.559 -2.909
58 HA CYS 11 HA CYS 11 -2.269 0.805 -0.655
59 HB2 CYS 11 2HB CYS 11 -0.476 1.692 0.771
60 HB3 CYS 11 1HB CYS 11 0.145 0.466 -0.329
61 H CYS 12 H CYS 12 -3.821 2.262 -0.059
62 HA CYS 12 HA CYS 12 -3.790 4.970 -1.147
63 HB2 CYS 12 2HB CYS 12 -6.043 5.110 0.125
64 HB3 CYS 12 1HB CYS 12 -5.944 4.019 -1.250
65 H GLY 13 H GLY 13 -2.515 6.384 -0.147
66 HA2 GLY 13 2HA GLY 13 -1.686 6.077 2.601
67 HA3 GLY 13 1HA GLY 13 -1.222 7.355 1.488
68 H ARG 14 H ARG 14 -2.843 6.772 4.273
69 HA ARG 14 HA ARG 14 -4.999 8.545 4.390
70 HB2 ARG 14 2HB ARG 14 -2.927 7.830 6.517
71 HB3 ARG 14 1HB ARG 14 -4.455 8.636 6.860
72 HG2 ARG 14 2HG ARG 14 -4.169 5.834 5.701
73 HG3 ARG 14 1HG ARG 14 -4.489 6.211 7.396
74 HD2 ARG 14 2HD ARG 14 -6.619 7.327 6.695
75 HD3 ARG 14 1HD ARG 14 -6.310 6.802 5.033
76 HE ARG 14 HE ARG 14 -6.172 4.493 6.498
77 HH11 ARG 14 1HH1 ARG 14 -8.676 6.958 6.163
78 HH12 ARG 14 2HH1 ARG 14 -9.969 5.841 6.444
79 HH21 ARG 14 1HH2 ARG 14 -7.882 3.051 6.831
80 HH22 ARG 14 2HH2 ARG 14 -9.513 3.616 6.823
81 HA PRO 15 HA PRO 15 -3.664 12.793 3.918
82 HB2 PRO 15 2HB PRO 15 -4.383 13.160 6.847
83 HB3 PRO 15 1HB PRO 15 -4.748 14.223 5.462
84 HG2 PRO 15 2HG PRO 15 -6.632 12.607 6.367
85 HG3 PRO 15 1HG PRO 15 -6.392 12.783 4.614
86 HD2 PRO 15 2HD PRO 15 -5.664 10.479 6.387
87 HD3 PRO 15 1HD PRO 15 -6.157 10.482 4.679
88 H ASP 16 H ASP 16 -2.490 11.406 6.999
89 HA ASP 16 HA ASP 16 -0.248 13.164 7.324
90 HB2 ASP 16 2HB ASP 16 0.389 11.696 9.184
91 HB3 ASP 16 1HB ASP 16 -1.340 12.012 9.244
92 H GLY 17 H GLY 17 -0.755 10.074 5.767
93 HA2 GLY 17 2HA GLY 17 0.735 9.598 3.843
94 HA3 GLY 17 1HA GLY 17 2.091 9.941 4.904
95 H ALA 18 H ALA 18 -0.487 8.259 6.426
96 HA ALA 18 HA ALA 18 1.068 5.827 6.692
97 HB1 ALA 18 3HB ALA 18 -0.235 6.698 8.585
98 HB2 ALA 18 1HB ALA 18 -0.745 5.062 8.154
99 HB3 ALA 18 2HB ALA 18 -1.730 6.449 7.676
100 H LYS 19 H LYS 19 1.166 4.534 4.944
101 HA LYS 19 HA LYS 19 -0.828 4.358 2.891
102 HB2 LYS 19 2HB LYS 19 1.572 2.553 3.402
103 HB3 LYS 19 1HB LYS 19 0.702 2.724 1.882
104 HG2 LYS 19 2HG LYS 19 1.572 4.883 1.472
105 HG3 LYS 19 1HG LYS 19 2.056 5.107 3.156
106 HD2 LYS 19 2HD LYS 19 3.340 3.212 1.149
107 HD3 LYS 19 1HD LYS 19 4.020 4.735 1.733
108 HE2 LYS 19 2HE LYS 19 4.003 3.743 4.066
109 HE3 LYS 19 1HE LYS 19 3.532 2.203 3.345
110 HZ1 LYS 19 3HZ LYS 19 5.591 2.330 2.016
111 HZ2 LYS 19 1HZ LYS 19 5.858 2.214 3.681
112 HZ3 LYS 19 2HZ LYS 19 6.048 3.697 2.896
113 H VAL 20 H VAL 20 -2.614 3.077 2.892
114 HA VAL 20 HA VAL 20 -3.083 1.124 4.967
115 HB VAL 20 HB VAL 20 -4.806 1.893 2.565
116 HG11 VAL 20 1HG1 VAL 20 -6.678 0.786 3.769
117 HG12 VAL 20 2HG1 VAL 20 -5.553 0.225 5.008
118 HG13 VAL 20 3HG1 VAL 20 -5.412 -0.367 3.351
119 HG21 VAL 20 3HG2 VAL 20 -6.133 3.180 4.222
120 HG22 VAL 20 1HG2 VAL 20 -4.471 3.765 4.122
121 HG23 VAL 20 2HG2 VAL 20 -4.971 2.756 5.482
122 H CYS 21 H CYS 21 -1.953 -0.659 4.803
123 HA CYS 21 HA CYS 21 -2.422 -2.509 2.564
124 HB2 CYS 21 2HB CYS 21 0.299 -1.965 3.826
125 HB3 CYS 21 1HB CYS 21 -0.042 -3.239 2.658
126 H ASN 22 H ASN 22 -2.866 -4.565 3.297
127 HA ASN 22 HA ASN 22 -3.096 -4.988 6.163
128 HB2 ASN 22 2HB ASN 22 -4.232 -7.066 5.592
129 HB3 ASN 22 1HB ASN 22 -4.873 -5.765 4.598
130 HD21 ASN 22 1HD2 ASN 22 -5.158 -8.495 4.033
131 HD22 ASN 22 2HD2 ASN 22 -4.340 -8.833 2.546
132 H ASP 23 H ASP 23 -2.010 -6.623 7.347
133 HA ASP 23 HA ASP 23 0.771 -6.829 6.717
134 HB2 ASP 23 2HB ASP 23 0.957 -7.981 8.906
135 HB3 ASP 23 1HB ASP 23 -0.006 -6.516 9.028
136 HA PRO 24 HA PRO 24 2.544 -8.116 7.172
137 HB2 PRO 24 2HB PRO 24 4.507 -9.617 6.165
138 HB3 PRO 24 1HB PRO 24 3.414 -10.317 7.382
139 HG2 PRO 24 2HG PRO 24 3.400 -10.702 4.392
140 HG3 PRO 24 1HG PRO 24 3.155 -11.904 5.681
141 HD2 PRO 24 2HD PRO 24 1.097 -10.581 4.277
142 HD3 PRO 24 1HD PRO 24 0.896 -11.450 5.814
143 H TRP 25 H TRP 25 1.134 -7.741 4.314
144 HA TRP 25 HA TRP 25 3.248 -7.123 2.490
145 HB2 TRP 25 2HB TRP 25 0.326 -6.248 2.299
146 HB3 TRP 25 1HB TRP 25 1.488 -6.363 0.978
147 HD1 TRP 25 HD1 TRP 25 -1.376 -8.164 2.157
148 HE1 TRP 25 HE1 TRP 25 -1.367 -10.630 1.463
149 HE3 TRP 25 HE3 TRP 25 3.569 -8.648 0.915
150 HZ2 TRP 25 HZ2 TRP 25 0.472 -12.535 0.533
151 HZ3 TRP 25 HZ3 TRP 25 4.372 -10.843 0.136
152 HH2 TRP 25 HH2 TRP 25 2.850 -12.749 -0.048
153 H VAL 26 H VAL 26 4.505 -5.395 2.565
154 HA VAL 26 HA VAL 26 3.610 -2.847 3.778
155 HB VAL 26 HB VAL 26 6.450 -3.738 3.070
156 HG11 VAL 26 1HG1 VAL 26 5.486 -1.345 4.698
157 HG12 VAL 26 2HG1 VAL 26 6.213 -1.282 3.090
158 HG13 VAL 26 3HG1 VAL 26 7.176 -1.810 4.472
159 HG21 VAL 26 3HG2 VAL 26 6.784 -4.074 5.509
160 HG22 VAL 26 1HG2 VAL 26 5.553 -5.162 4.861
161 HG23 VAL 26 2HG2 VAL 26 5.073 -3.736 5.786
162 H CYS 27 H CYS 27 3.394 -1.064 2.476
163 HA CYS 27 HA CYS 27 3.599 -1.320 -0.380
164 HB2 CYS 27 2HB CYS 27 1.772 -0.007 0.589
165 HB3 CYS 27 1HB CYS 27 2.921 1.114 1.311
166 H ILE 28 H ILE 28 5.415 -1.010 -1.497
167 HA ILE 28 HA ILE 28 7.661 0.574 -0.557
168 HB ILE 28 HB ILE 28 7.120 -0.736 -3.268
169 HG12 ILE 28 2HG1 ILE 28 7.326 -2.382 -1.417
170 HG13 ILE 28 1HG1 ILE 28 8.661 -2.520 -2.557
171 HG21 ILE 28 1HG2 ILE 28 8.714 1.100 -3.562
172 HG22 ILE 28 2HG2 ILE 28 9.545 -0.447 -3.743
173 HG23 ILE 28 3HG2 ILE 28 9.715 0.479 -2.248
174 HD11 ILE 28 3HD1 ILE 28 9.416 -2.780 -0.295
175 HD12 ILE 28 1HD1 ILE 28 8.753 -1.211 0.153
176 HD13 ILE 28 2HD1 ILE 28 10.099 -1.309 -0.987
177 H LEU 29 H LEU 29 8.177 2.669 -1.265
178 HA LEU 29 HA LEU 29 5.939 4.311 -1.996
179 HB2 LEU 29 2HB LEU 29 8.870 4.945 -1.533
180 HB3 LEU 29 1HB LEU 29 7.722 6.179 -2.002
181 HG LEU 29 HG LEU 29 8.103 6.326 0.377
182 HD11 LEU 29 1HD1 LEU 29 5.854 6.830 -0.400
183 HD12 LEU 29 2HD1 LEU 29 5.840 6.184 1.239
184 HD13 LEU 29 3HD1 LEU 29 5.361 5.159 -0.117
185 HD21 LEU 29 3HD2 LEU 29 8.867 4.048 0.841
186 HD22 LEU 29 1HD2 LEU 29 7.226 3.431 0.623
187 HD23 LEU 29 2HD2 LEU 29 7.593 4.526 1.960
188 H THR 30 H THR 30 8.870 3.196 -3.642
189 HA THR 30 HA THR 30 8.828 4.773 -5.954
190 HB THR 30 HB THR 30 9.847 1.916 -5.646
191 HG1 THR 30 HG1 THR 30 11.465 4.223 -5.402
192 HG21 THR 30 3HG2 THR 30 11.479 2.493 -7.417
193 HG22 THR 30 1HG2 THR 30 10.720 4.083 -7.602
194 HG23 THR 30 2HG2 THR 30 9.829 2.622 -8.022
195 H SER 31 H SER 31 7.155 1.749 -5.214
196 HA SER 31 HA SER 31 5.920 1.546 -7.873
197 HB2 SER 31 2HB SER 31 5.068 -0.626 -6.949
198 HB3 SER 31 1HB SER 31 6.826 -0.500 -6.840
199 HG SER 31 HG SER 31 6.041 -1.219 -4.887
200 H SER 32 H SER 32 5.226 2.613 -4.663
201 HA SER 32 HA SER 32 3.465 3.161 -3.412
202 HB2 SER 32 2HB SER 32 1.749 4.621 -4.435
203 HB3 SER 32 1HB SER 32 3.370 5.042 -4.974
204 HG SER 32 HG SER 32 2.953 4.176 -6.948
205 H ARG 33 H ARG 33 3.512 0.439 -4.245
206 HA ARG 33 HA ARG 33 0.641 -0.279 -4.058
207 HB2 ARG 33 2HB ARG 33 0.973 -2.218 -5.438
208 HB3 ARG 33 1HB ARG 33 1.721 -0.879 -6.306
209 HG2 ARG 33 2HG ARG 33 3.939 -1.604 -5.441
210 HG3 ARG 33 1HG ARG 33 3.171 -2.986 -4.665
211 HD2 ARG 33 2HD ARG 33 2.452 -3.802 -6.906
212 HD3 ARG 33 1HD ARG 33 3.297 -2.431 -7.650
213 HE ARG 33 HE ARG 33 5.013 -3.877 -5.913
214 HH11 ARG 33 1HH1 ARG 33 3.663 -4.071 -9.149
215 HH12 ARG 33 2HH1 ARG 33 4.965 -5.053 -9.745
216 HH21 ARG 33 1HH2 ARG 33 6.678 -5.135 -6.682
217 HH22 ARG 33 2HH2 ARG 33 6.691 -5.666 -8.339
218 H CYS 34 H CYS 34 0.112 -1.801 -2.504
219 HA CYS 34 HA CYS 34 1.934 -2.564 -0.454
220 HB2 CYS 34 2HB CYS 34 -0.742 -3.855 -1.120
221 HB3 CYS 34 1HB CYS 34 0.091 -3.892 0.430
222 H GLU 35 H GLU 35 3.341 -4.284 -0.444
223 HA GLU 35 HA GLU 35 2.916 -6.702 -1.969
224 HB2 GLU 35 2HB GLU 35 4.915 -6.555 -3.363
225 HB3 GLU 35 1HB GLU 35 3.871 -5.179 -3.704
226 HG2 GLU 35 2HG GLU 35 5.329 -3.756 -2.278
227 HG3 GLU 35 1HG GLU 35 6.392 -5.137 -2.008
228 H ASN 36 H ASN 36 5.557 -7.747 -1.809
229 HA ASN 36 HA ASN 36 5.549 -8.701 0.833
230 HB2 ASN 36 2HB ASN 36 7.552 -9.922 0.253
231 HB3 ASN 36 1HB ASN 36 6.506 -9.903 -1.160
232 HD21 ASN 36 1HD2 ASN 36 9.514 -8.764 0.216
233 HD22 ASN 36 2HD2 ASN 36 10.196 -8.163 -1.258
234 HA PRO 37 HA PRO 37 8.234 -5.768 3.084
235 HB2 PRO 37 2HB PRO 37 9.350 -8.104 4.574
236 HB3 PRO 37 1HB PRO 37 8.445 -6.708 5.190
237 HG2 PRO 37 2HG PRO 37 7.348 -9.161 5.110
238 HG3 PRO 37 1HG PRO 37 6.394 -7.686 4.833
239 HD2 PRO 37 2HD PRO 37 7.473 -9.633 2.805
240 HD3 PRO 37 1HD PRO 37 5.879 -8.842 2.867
Start of MODEL 7
1 H1 ASP 1 1H ASP 1 -11.821 -4.317 -9.813
2 H2 ASP 1 2H ASP 1 -12.513 -2.786 -9.618
3 H3 ASP 1 3H ASP 1 -11.530 -3.434 -8.403
4 HA ASP 1 HA ASP 1 -9.611 -3.367 -9.823
5 HB2 ASP 1 2HB ASP 1 -11.426 -1.970 -11.852
6 HB3 ASP 1 1HB ASP 1 -9.712 -2.338 -12.055
7 H GLY 2 H GLY 2 -8.287 -1.659 -9.259
8 HA2 GLY 2 2HA GLY 2 -7.624 0.543 -8.820
9 HA3 GLY 2 1HA GLY 2 -9.265 1.089 -9.132
10 H GLU 3 H GLU 3 -8.430 -1.477 -6.912
11 HA GLU 3 HA GLU 3 -9.343 0.133 -4.606
12 HB2 GLU 3 2HB GLU 3 -9.911 -1.988 -3.501
13 HB3 GLU 3 1HB GLU 3 -10.751 -1.855 -5.038
14 HG2 GLU 3 2HG GLU 3 -8.206 -3.489 -4.692
15 HG3 GLU 3 1HG GLU 3 -9.806 -4.152 -4.398
16 H CYS 4 H CYS 4 -8.213 -0.442 -2.476
17 HA CYS 4 HA CYS 4 -5.304 -0.858 -2.936
18 HB2 CYS 4 2HB CYS 4 -4.803 1.133 -1.571
19 HB3 CYS 4 1HB CYS 4 -5.756 1.563 -2.984
20 H GLY 5 H GLY 5 -4.228 -1.934 -1.349
21 HA2 GLY 5 2HA GLY 5 -3.987 -2.104 1.171
22 HA3 GLY 5 1HA GLY 5 -5.674 -2.567 1.181
23 H ASP 6 H ASP 6 -4.264 -3.930 -1.537
24 HA ASP 6 HA ASP 6 -3.558 -6.438 -0.110
25 HB2 ASP 6 2HB ASP 6 -4.818 -6.121 -2.870
26 HB3 ASP 6 1HB ASP 6 -4.358 -7.657 -2.142
27 H LYS 7 H LYS 7 -1.992 -7.830 -1.276
28 HA LYS 7 HA LYS 7 0.340 -6.458 -2.139
29 HB2 LYS 7 2HB LYS 7 0.417 -8.714 -1.069
30 HB3 LYS 7 1HB LYS 7 -0.327 -9.417 -2.502
31 HG2 LYS 7 2HG LYS 7 1.686 -8.595 -3.835
32 HG3 LYS 7 1HG LYS 7 2.425 -8.138 -2.297
33 HD2 LYS 7 2HD LYS 7 2.252 -10.533 -1.572
34 HD3 LYS 7 1HD LYS 7 1.631 -10.934 -3.176
35 HE2 LYS 7 2HE LYS 7 4.356 -9.706 -2.610
36 HE3 LYS 7 1HE LYS 7 4.071 -11.411 -2.952
37 HZ1 LYS 7 3HZ LYS 7 3.283 -10.828 -5.144
38 HZ2 LYS 7 1HZ LYS 7 4.824 -10.179 -4.908
39 HZ3 LYS 7 2HZ LYS 7 3.463 -9.177 -4.832
40 H ASP 8 H ASP 8 1.261 -6.240 -4.137
41 HA ASP 8 HA ASP 8 1.363 -5.496 -6.232
42 HB2 ASP 8 2HB ASP 8 -0.260 -7.996 -6.848
43 HB3 ASP 8 1HB ASP 8 0.676 -7.082 -8.029
44 H GLU 9 H GLU 9 -1.103 -4.847 -4.539
45 HA GLU 9 HA GLU 9 -2.617 -3.497 -6.689
46 HB2 GLU 9 2HB GLU 9 -3.536 -4.616 -4.033
47 HB3 GLU 9 1HB GLU 9 -4.286 -3.127 -4.579
48 HG2 GLU 9 2HG GLU 9 -5.729 -4.882 -5.244
49 HG3 GLU 9 1HG GLU 9 -4.939 -4.298 -6.703
50 HA PRO 10 HA PRO 10 -0.709 0.298 -5.415
51 HB2 PRO 10 2HB PRO 10 -2.848 2.128 -5.564
52 HB3 PRO 10 1HB PRO 10 -1.898 1.566 -6.956
53 HG2 PRO 10 2HG PRO 10 -4.562 0.582 -5.977
54 HG3 PRO 10 1HG PRO 10 -4.009 0.869 -7.644
55 HD2 PRO 10 2HD PRO 10 -4.110 -1.625 -6.653
56 HD3 PRO 10 1HD PRO 10 -2.788 -1.135 -7.734
57 H CYS 11 H CYS 11 -0.237 1.353 -3.520
58 HA CYS 11 HA CYS 11 -1.936 0.830 -1.177
59 HB2 CYS 11 2HB CYS 11 -0.040 1.566 0.152
60 HB3 CYS 11 1HB CYS 11 0.529 0.401 -1.036
61 H CYS 12 H CYS 12 -3.412 2.340 -0.613
62 HA CYS 12 HA CYS 12 -3.277 5.023 -1.788
63 HB2 CYS 12 2HB CYS 12 -5.603 5.252 -0.809
64 HB3 CYS 12 1HB CYS 12 -5.412 3.959 -1.988
65 H GLY 13 H GLY 13 -2.743 6.819 -0.697
66 HA2 GLY 13 2HA GLY 13 -1.672 6.559 1.993
67 HA3 GLY 13 1HA GLY 13 -1.517 7.936 0.920
68 H ARG 14 H ARG 14 -2.357 7.623 3.793
69 HA ARG 14 HA ARG 14 -4.976 9.006 3.718
70 HB2 ARG 14 2HB ARG 14 -3.501 7.960 6.163
71 HB3 ARG 14 1HB ARG 14 -5.184 8.468 6.065
72 HG2 ARG 14 2HG ARG 14 -5.625 6.475 4.601
73 HG3 ARG 14 1HG ARG 14 -3.951 5.971 4.864
74 HD2 ARG 14 2HD ARG 14 -6.172 6.191 6.922
75 HD3 ARG 14 1HD ARG 14 -5.305 4.736 6.422
76 HE ARG 14 HE ARG 14 -3.628 6.786 7.619
77 HH11 ARG 14 1HH1 ARG 14 -5.571 3.944 8.344
78 HH12 ARG 14 2HH1 ARG 14 -4.769 3.658 9.850
79 HH21 ARG 14 1HH2 ARG 14 -2.647 6.413 9.596
80 HH22 ARG 14 2HH2 ARG 14 -3.117 5.051 10.562
81 HA PRO 15 HA PRO 15 -3.147 12.982 4.473
82 HB2 PRO 15 2HB PRO 15 -4.731 14.124 6.458
83 HB3 PRO 15 1HB PRO 15 -5.230 13.963 4.759
84 HG2 PRO 15 2HG PRO 15 -5.870 12.168 7.091
85 HG3 PRO 15 1HG PRO 15 -6.954 12.797 5.827
86 HD2 PRO 15 2HD PRO 15 -6.020 10.294 5.672
87 HD3 PRO 15 1HD PRO 15 -6.159 11.288 4.204
88 H ASP 16 H ASP 16 -3.392 10.895 7.286
89 HA ASP 16 HA ASP 16 -1.739 12.452 9.051
90 HB2 ASP 16 2HB ASP 16 -1.850 10.612 10.578
91 HB3 ASP 16 1HB ASP 16 -3.425 10.686 9.802
92 H GLY 17 H GLY 17 -1.173 10.144 6.525
93 HA2 GLY 17 2HA GLY 17 0.869 10.181 5.298
94 HA3 GLY 17 1HA GLY 17 1.750 10.517 6.781
95 H ALA 18 H ALA 18 -0.768 8.055 6.283
96 HA ALA 18 HA ALA 18 1.261 5.916 6.673
97 HB1 ALA 18 3HB ALA 18 -0.261 6.130 8.587
98 HB2 ALA 18 1HB ALA 18 -0.488 4.584 7.760
99 HB3 ALA 18 2HB ALA 18 -1.649 5.895 7.525
100 H LYS 19 H LYS 19 1.265 4.197 5.314
101 HA LYS 19 HA LYS 19 -0.287 4.301 2.841
102 HB2 LYS 19 2HB LYS 19 1.915 2.410 3.770
103 HB3 LYS 19 1HB LYS 19 1.196 2.399 2.166
104 HG2 LYS 19 2HG LYS 19 2.614 4.847 3.249
105 HG3 LYS 19 1HG LYS 19 3.501 3.534 2.487
106 HD2 LYS 19 2HD LYS 19 3.193 5.114 0.761
107 HD3 LYS 19 1HD LYS 19 1.973 3.889 0.438
108 HE2 LYS 19 2HE LYS 19 0.232 5.349 1.359
109 HE3 LYS 19 1HE LYS 19 1.445 6.532 1.842
110 HZ1 LYS 19 3HZ LYS 19 2.007 6.829 -0.497
111 HZ2 LYS 19 1HZ LYS 19 0.389 7.205 -0.185
112 HZ3 LYS 19 2HZ LYS 19 0.785 5.743 -0.942
113 H VAL 20 H VAL 20 -2.167 3.206 2.625
114 HA VAL 20 HA VAL 20 -3.065 1.240 4.539
115 HB VAL 20 HB VAL 20 -4.342 2.147 1.915
116 HG11 VAL 20 1HG1 VAL 20 -5.583 0.470 4.144
117 HG12 VAL 20 2HG1 VAL 20 -5.176 -0.105 2.526
118 HG13 VAL 20 3HG1 VAL 20 -6.441 1.104 2.735
119 HG21 VAL 20 3HG2 VAL 20 -4.975 2.928 4.790
120 HG22 VAL 20 1HG2 VAL 20 -5.859 3.466 3.359
121 HG23 VAL 20 2HG2 VAL 20 -4.180 3.951 3.592
122 H CYS 21 H CYS 21 -1.929 -0.559 4.506
123 HA CYS 21 HA CYS 21 -2.179 -2.415 2.257
124 HB2 CYS 21 2HB CYS 21 0.469 -1.806 3.651
125 HB3 CYS 21 1HB CYS 21 0.211 -3.127 2.512
126 H ASN 22 H ASN 22 -2.646 -4.464 3.031
127 HA ASN 22 HA ASN 22 -3.130 -4.776 5.872
128 HB2 ASN 22 2HB ASN 22 -4.136 -6.931 5.253
129 HB3 ASN 22 1HB ASN 22 -4.749 -5.646 4.223
130 HD21 ASN 22 1HD2 ASN 22 -4.957 -8.329 3.583
131 HD22 ASN 22 2HD2 ASN 22 -4.001 -8.659 2.178
132 H ASP 23 H ASP 23 -2.030 -6.147 7.291
133 HA ASP 23 HA ASP 23 0.722 -6.671 6.789
134 HB2 ASP 23 2HB ASP 23 0.753 -7.709 9.033
135 HB3 ASP 23 1HB ASP 23 -0.108 -6.178 9.064
136 HA PRO 24 HA PRO 24 2.361 -8.047 7.327
137 HB2 PRO 24 2HB PRO 24 4.187 -9.826 6.487
138 HB3 PRO 24 1HB PRO 24 3.028 -10.281 7.758
139 HG2 PRO 24 2HG PRO 24 3.031 -11.035 4.854
140 HG3 PRO 24 1HG PRO 24 2.549 -11.995 6.270
141 HD2 PRO 24 2HD PRO 24 0.805 -10.530 4.551
142 HD3 PRO 24 1HD PRO 24 0.372 -11.287 6.100
143 H TRP 25 H TRP 25 1.052 -7.617 4.481
144 HA TRP 25 HA TRP 25 3.355 -7.205 2.739
145 HB2 TRP 25 2HB TRP 25 0.471 -6.403 2.145
146 HB3 TRP 25 1HB TRP 25 1.747 -6.789 0.993
147 HD1 TRP 25 HD1 TRP 25 -1.217 -8.281 2.571
148 HE1 TRP 25 HE1 TRP 25 -1.306 -10.810 2.215
149 HE3 TRP 25 HE3 TRP 25 3.590 -9.052 1.000
150 HZ2 TRP 25 HZ2 TRP 25 0.413 -12.876 1.414
151 HZ3 TRP 25 HZ3 TRP 25 4.290 -11.356 0.474
152 HH2 TRP 25 HH2 TRP 25 2.734 -13.230 0.677
153 H VAL 26 H VAL 26 4.350 -5.274 2.422
154 HA VAL 26 HA VAL 26 3.255 -2.794 3.645
155 HB VAL 26 HB VAL 26 5.623 -2.076 4.052
156 HG11 VAL 26 1HG1 VAL 26 4.934 -4.731 5.372
157 HG12 VAL 26 2HG1 VAL 26 4.377 -3.138 5.889
158 HG13 VAL 26 3HG1 VAL 26 6.091 -3.543 5.988
159 HG21 VAL 26 3HG2 VAL 26 6.390 -4.896 3.173
160 HG22 VAL 26 1HG2 VAL 26 7.487 -3.711 3.888
161 HG23 VAL 26 2HG2 VAL 26 6.767 -3.404 2.308
162 H CYS 27 H CYS 27 3.617 -0.826 2.463
163 HA CYS 27 HA CYS 27 3.794 -1.219 -0.421
164 HB2 CYS 27 2HB CYS 27 2.043 0.279 0.443
165 HB3 CYS 27 1HB CYS 27 3.264 1.343 1.134
166 H ILE 28 H ILE 28 5.482 -0.833 -1.628
167 HA ILE 28 HA ILE 28 7.822 0.645 -0.637
168 HB ILE 28 HB ILE 28 7.422 -1.054 -3.164
169 HG12 ILE 28 2HG1 ILE 28 9.346 -2.422 -2.123
170 HG13 ILE 28 1HG1 ILE 28 9.142 -1.460 -0.662
171 HG21 ILE 28 1HG2 ILE 28 9.902 0.523 -2.371
172 HG22 ILE 28 2HG2 ILE 28 8.860 0.846 -3.755
173 HG23 ILE 28 3HG2 ILE 28 9.813 -0.636 -3.706
174 HD11 ILE 28 3HD1 ILE 28 8.087 -3.631 -0.473
175 HD12 ILE 28 1HD1 ILE 28 7.077 -3.291 -1.879
176 HD13 ILE 28 2HD1 ILE 28 6.883 -2.347 -0.400
177 H LEU 29 H LEU 29 8.048 2.755 -1.164
178 HA LEU 29 HA LEU 29 5.926 4.196 -2.364
179 HB2 LEU 29 2HB LEU 29 8.707 5.029 -1.501
180 HB3 LEU 29 1HB LEU 29 7.603 6.177 -2.228
181 HG LEU 29 HG LEU 29 7.533 6.489 0.153
182 HD11 LEU 29 1HD1 LEU 29 5.407 6.740 -0.990
183 HD12 LEU 29 2HD1 LEU 29 5.185 6.180 0.664
184 HD13 LEU 29 3HD1 LEU 29 5.017 5.045 -0.679
185 HD21 LEU 29 3HD2 LEU 29 6.905 4.760 1.766
186 HD22 LEU 29 1HD2 LEU 29 8.382 4.325 0.910
187 HD23 LEU 29 2HD2 LEU 29 6.856 3.551 0.479
188 H THR 30 H THR 30 9.012 3.077 -3.651
189 HA THR 30 HA THR 30 9.149 4.486 -6.077
190 HB THR 30 HB THR 30 10.115 1.648 -5.512
191 HG1 THR 30 HG1 THR 30 11.280 4.181 -4.929
192 HG21 THR 30 3HG2 THR 30 11.887 2.135 -7.175
193 HG22 THR 30 1HG2 THR 30 11.146 3.714 -7.493
194 HG23 THR 30 2HG2 THR 30 10.285 2.232 -7.904
195 H SER 31 H SER 31 7.496 1.454 -5.234
196 HA SER 31 HA SER 31 6.509 1.019 -7.954
197 HB2 SER 31 2HB SER 31 5.699 -1.129 -7.008
198 HB3 SER 31 1HB SER 31 7.406 -0.876 -6.638
199 HG SER 31 HG SER 31 6.458 -1.501 -4.762
200 H SER 32 H SER 32 5.493 2.559 -5.085
201 HA SER 32 HA SER 32 3.606 3.374 -4.194
202 HB2 SER 32 2HB SER 32 1.978 4.431 -5.739
203 HB3 SER 32 1HB SER 32 3.635 4.756 -6.230
204 HG SER 32 HG SER 32 2.291 2.561 -7.365
205 H ARG 33 H ARG 33 3.743 0.439 -4.403
206 HA ARG 33 HA ARG 33 0.885 -0.204 -4.116
207 HB2 ARG 33 2HB ARG 33 1.028 -2.222 -5.478
208 HB3 ARG 33 1HB ARG 33 1.533 -0.847 -6.454
209 HG2 ARG 33 2HG ARG 33 3.886 -1.462 -6.150
210 HG3 ARG 33 1HG ARG 33 3.424 -2.817 -5.121
211 HD2 ARG 33 2HD ARG 33 2.197 -3.815 -7.067
212 HD3 ARG 33 1HD ARG 33 2.789 -2.489 -8.078
213 HE ARG 33 HE ARG 33 5.021 -3.635 -6.899
214 HH11 ARG 33 1HH1 ARG 33 2.545 -4.708 -9.147
215 HH12 ARG 33 2HH1 ARG 33 3.580 -5.861 -9.920
216 HH21 ARG 33 1HH2 ARG 33 6.328 -5.202 -7.861
217 HH22 ARG 33 2HH2 ARG 33 5.727 -6.148 -9.190
218 H CYS 34 H CYS 34 0.439 -1.927 -2.718
219 HA CYS 34 HA CYS 34 2.365 -2.526 -0.677
220 HB2 CYS 34 2HB CYS 34 -0.264 -3.963 -1.197
221 HB3 CYS 34 1HB CYS 34 0.600 -3.820 0.332
222 H GLU 35 H GLU 35 3.694 -4.328 -0.516
223 HA GLU 35 HA GLU 35 3.438 -6.622 -2.311
224 HB2 GLU 35 2HB GLU 35 5.925 -4.865 -2.187
225 HB3 GLU 35 1HB GLU 35 5.890 -6.470 -2.913
226 HG2 GLU 35 2HG GLU 35 4.243 -5.663 -4.575
227 HG3 GLU 35 1HG GLU 35 4.336 -4.041 -3.880
228 H ASN 36 H ASN 36 5.608 -8.061 -1.792
229 HA ASN 36 HA ASN 36 5.440 -8.862 0.952
230 HB2 ASN 36 2HB ASN 36 7.172 -10.546 0.354
231 HB3 ASN 36 1HB ASN 36 5.863 -10.529 -0.815
232 HD21 ASN 36 1HD2 ASN 36 9.232 -9.724 -0.283
233 HD22 ASN 36 2HD2 ASN 36 9.657 -9.550 -1.948
234 HA PRO 37 HA PRO 37 8.780 -6.209 2.530
235 HB2 PRO 37 2HB PRO 37 9.227 -7.509 4.935
236 HB3 PRO 37 1HB PRO 37 7.862 -6.402 4.661
237 HG2 PRO 37 2HG PRO 37 7.895 -9.406 4.593
238 HG3 PRO 37 1HG PRO 37 6.678 -8.310 5.287
239 HD2 PRO 37 2HD PRO 37 6.336 -9.508 2.861
240 HD3 PRO 37 1HD PRO 37 5.670 -7.902 3.227
Start of MODEL 8
1 H1 ASP 1 1H ASP 1 -8.684 -5.333 -7.301
2 H2 ASP 1 2H ASP 1 -8.301 -6.533 -8.433
3 H3 ASP 1 3H ASP 1 -9.717 -5.633 -8.603
4 HA ASP 1 HA ASP 1 -6.964 -4.568 -8.767
5 HB2 ASP 1 2HB ASP 1 -7.381 -4.288 -11.177
6 HB3 ASP 1 1HB ASP 1 -7.621 -5.974 -10.734
7 H GLY 2 H GLY 2 -6.827 -2.296 -9.230
8 HA2 GLY 2 2HA GLY 2 -7.450 -0.089 -9.278
9 HA3 GLY 2 1HA GLY 2 -9.075 -0.610 -9.684
10 H GLU 3 H GLU 3 -7.552 -1.738 -6.783
11 HA GLU 3 HA GLU 3 -9.184 0.064 -5.083
12 HB2 GLU 3 2HB GLU 3 -9.420 -1.884 -3.509
13 HB3 GLU 3 1HB GLU 3 -10.218 -2.128 -5.060
14 HG2 GLU 3 2HG GLU 3 -8.021 -3.382 -5.720
15 HG3 GLU 3 1HG GLU 3 -7.719 -3.432 -3.982
16 H CYS 4 H CYS 4 -8.013 -0.719 -2.570
17 HA CYS 4 HA CYS 4 -5.127 -0.397 -2.915
18 HB2 CYS 4 2HB CYS 4 -4.923 1.675 -1.703
19 HB3 CYS 4 1HB CYS 4 -6.080 1.936 -2.999
20 H GLY 5 H GLY 5 -3.906 -1.089 -1.221
21 HA2 GLY 5 2HA GLY 5 -3.393 -1.725 0.972
22 HA3 GLY 5 1HA GLY 5 -5.087 -1.590 1.412
23 H ASP 6 H ASP 6 -3.852 -3.413 -1.322
24 HA ASP 6 HA ASP 6 -4.256 -6.024 0.053
25 HB2 ASP 6 2HB ASP 6 -5.211 -5.386 -2.784
26 HB3 ASP 6 1HB ASP 6 -5.439 -6.901 -1.921
27 H LYS 7 H LYS 7 -3.448 -7.805 -1.685
28 HA LYS 7 HA LYS 7 -0.611 -7.408 -1.815
29 HB2 LYS 7 2HB LYS 7 -2.006 -9.590 -1.319
30 HB3 LYS 7 1HB LYS 7 -2.082 -9.770 -3.062
31 HG2 LYS 7 2HG LYS 7 0.506 -9.581 -1.494
32 HG3 LYS 7 1HG LYS 7 -0.298 -11.103 -1.864
33 HD2 LYS 7 2HD LYS 7 0.014 -10.694 -4.276
34 HD3 LYS 7 1HD LYS 7 0.766 -9.135 -3.930
35 HE2 LYS 7 2HE LYS 7 2.591 -10.304 -2.715
36 HE3 LYS 7 1HE LYS 7 1.853 -11.856 -3.119
37 HZ1 LYS 7 3HZ LYS 7 2.204 -11.390 -5.446
38 HZ2 LYS 7 1HZ LYS 7 3.671 -11.260 -4.613
39 HZ3 LYS 7 2HZ LYS 7 2.838 -9.867 -5.091
40 H ASP 8 H ASP 8 0.615 -6.783 -3.533
41 HA ASP 8 HA ASP 8 1.265 -5.876 -5.492
42 HB2 ASP 8 2HB ASP 8 -0.751 -7.846 -6.660
43 HB3 ASP 8 1HB ASP 8 0.349 -6.899 -7.652
44 H GLU 9 H GLU 9 -1.117 -4.688 -4.053
45 HA GLU 9 HA GLU 9 -2.489 -3.299 -6.292
46 HB2 GLU 9 2HB GLU 9 -3.815 -4.937 -4.816
47 HB3 GLU 9 1HB GLU 9 -3.594 -3.802 -3.496
48 HG2 GLU 9 2HG GLU 9 -5.768 -3.447 -4.402
49 HG3 GLU 9 1HG GLU 9 -4.771 -2.072 -4.889
50 HA PRO 10 HA PRO 10 -0.416 0.453 -4.988
51 HB2 PRO 10 2HB PRO 10 -2.520 2.270 -5.573
52 HB3 PRO 10 1HB PRO 10 -1.275 1.714 -6.711
53 HG2 PRO 10 2HG PRO 10 -4.049 0.639 -6.279
54 HG3 PRO 10 1HG PRO 10 -3.181 0.930 -7.810
55 HD2 PRO 10 2HD PRO 10 -3.349 -1.540 -6.910
56 HD3 PRO 10 1HD PRO 10 -1.779 -0.964 -7.519
57 H CYS 11 H CYS 11 -0.114 1.404 -3.060
58 HA CYS 11 HA CYS 11 -2.036 1.071 -0.926
59 HB2 CYS 11 2HB CYS 11 -0.298 2.026 0.513
60 HB3 CYS 11 1HB CYS 11 0.398 0.780 -0.514
61 H CYS 12 H CYS 12 -3.613 2.540 -0.468
62 HA CYS 12 HA CYS 12 -3.552 5.210 -1.622
63 HB2 CYS 12 2HB CYS 12 -5.764 5.442 -0.243
64 HB3 CYS 12 1HB CYS 12 -5.734 4.362 -1.627
65 H GLY 13 H GLY 13 -2.971 7.049 -0.632
66 HA2 GLY 13 2HA GLY 13 -1.433 6.869 1.798
67 HA3 GLY 13 1HA GLY 13 -1.667 8.287 0.793
68 H ARG 14 H ARG 14 -2.346 6.977 3.734
69 HA ARG 14 HA ARG 14 -4.795 8.034 4.547
70 HB2 ARG 14 2HB ARG 14 -2.165 7.554 5.981
71 HB3 ARG 14 1HB ARG 14 -3.571 8.165 6.840
72 HG2 ARG 14 2HG ARG 14 -3.502 5.516 5.355
73 HG3 ARG 14 1HG ARG 14 -3.197 5.713 7.084
74 HD2 ARG 14 2HD ARG 14 -5.546 6.890 7.109
75 HD3 ARG 14 1HD ARG 14 -5.786 6.064 5.567
76 HE ARG 14 HE ARG 14 -5.951 4.054 6.684
77 HH11 ARG 14 1HH1 ARG 14 -4.805 6.494 8.958
78 HH12 ARG 14 2HH1 ARG 14 -5.027 5.476 10.341
79 HH21 ARG 14 1HH2 ARG 14 -6.240 2.730 8.522
80 HH22 ARG 14 2HH2 ARG 14 -5.843 3.343 10.096
81 HA PRO 15 HA PRO 15 -4.105 12.536 4.618
82 HB2 PRO 15 2HB PRO 15 -5.929 12.512 7.002
83 HB3 PRO 15 1HB PRO 15 -6.078 13.419 5.483
84 HG2 PRO 15 2HG PRO 15 -7.671 11.342 5.942
85 HG3 PRO 15 1HG PRO 15 -6.986 11.610 4.321
86 HD2 PRO 15 2HD PRO 15 -6.085 9.655 6.440
87 HD3 PRO 15 1HD PRO 15 -6.285 9.405 4.687
88 H ASP 16 H ASP 16 -3.808 10.527 7.508
89 HA ASP 16 HA ASP 16 -2.255 12.383 9.051
90 HB2 ASP 16 2HB ASP 16 -1.780 10.410 10.530
91 HB3 ASP 16 1HB ASP 16 -3.495 10.704 10.250
92 H GLY 17 H GLY 17 -1.506 10.050 6.574
93 HA2 GLY 17 2HA GLY 17 0.451 10.569 5.230
94 HA3 GLY 17 1HA GLY 17 1.352 10.879 6.701
95 H ALA 18 H ALA 18 -0.623 8.129 7.016
96 HA ALA 18 HA ALA 18 1.624 6.285 6.700
97 HB1 ALA 18 3HB ALA 18 0.098 6.016 8.615
98 HB2 ALA 18 1HB ALA 18 0.079 4.581 7.582
99 HB3 ALA 18 2HB ALA 18 -1.252 5.742 7.515
100 H LYS 19 H LYS 19 1.402 4.298 5.412
101 HA LYS 19 HA LYS 19 -0.143 4.637 2.908
102 HB2 LYS 19 2HB LYS 19 2.135 2.722 3.597
103 HB3 LYS 19 1HB LYS 19 1.325 2.797 2.032
104 HG2 LYS 19 2HG LYS 19 2.893 5.087 3.285
105 HG3 LYS 19 1HG LYS 19 3.543 3.958 2.092
106 HD2 LYS 19 2HD LYS 19 1.924 4.740 0.416
107 HD3 LYS 19 1HD LYS 19 1.149 5.790 1.605
108 HE2 LYS 19 2HE LYS 19 3.173 7.153 1.756
109 HE3 LYS 19 1HE LYS 19 4.020 6.062 0.660
110 HZ1 LYS 19 3HZ LYS 19 3.209 8.082 -0.437
111 HZ2 LYS 19 1HZ LYS 19 1.618 7.652 -0.060
112 HZ3 LYS 19 2HZ LYS 19 2.531 6.684 -1.103
113 H VAL 20 H VAL 20 -1.982 3.452 2.645
114 HA VAL 20 HA VAL 20 -2.827 1.515 4.618
115 HB VAL 20 HB VAL 20 -4.172 2.380 2.009
116 HG11 VAL 20 1HG1 VAL 20 -4.929 0.102 2.586
117 HG12 VAL 20 2HG1 VAL 20 -6.226 1.263 2.860
118 HG13 VAL 20 3HG1 VAL 20 -5.313 0.623 4.229
119 HG21 VAL 20 3HG2 VAL 20 -4.785 3.112 4.901
120 HG22 VAL 20 1HG2 VAL 20 -5.721 3.624 3.492
121 HG23 VAL 20 2HG2 VAL 20 -4.056 4.173 3.692
122 H CYS 21 H CYS 21 -1.912 -0.390 4.610
123 HA CYS 21 HA CYS 21 -2.007 -2.115 2.247
124 HB2 CYS 21 2HB CYS 21 0.508 -1.600 3.881
125 HB3 CYS 21 1HB CYS 21 0.324 -2.964 2.782
126 H ASN 22 H ASN 22 -2.537 -4.184 2.766
127 HA ASN 22 HA ASN 22 -3.290 -4.869 5.475
128 HB2 ASN 22 2HB ASN 22 -4.024 -7.022 4.430
129 HB3 ASN 22 1HB ASN 22 -4.679 -5.614 3.604
130 HD21 ASN 22 1HD2 ASN 22 -4.474 -8.219 2.518
131 HD22 ASN 22 2HD2 ASN 22 -3.419 -8.153 1.150
132 H ASP 23 H ASP 23 -2.287 -6.485 6.809
133 HA ASP 23 HA ASP 23 0.577 -6.602 6.547
134 HB2 ASP 23 2HB ASP 23 0.559 -7.747 8.716
135 HB3 ASP 23 1HB ASP 23 -0.515 -6.356 8.765
136 HA PRO 24 HA PRO 24 2.301 -7.716 7.040
137 HB2 PRO 24 2HB PRO 24 4.372 -9.303 6.415
138 HB3 PRO 24 1HB PRO 24 3.172 -9.840 7.612
139 HG2 PRO 24 2HG PRO 24 3.524 -10.722 4.773
140 HG3 PRO 24 1HG PRO 24 2.969 -11.648 6.183
141 HD2 PRO 24 2HD PRO 24 1.324 -10.379 4.197
142 HD3 PRO 24 1HD PRO 24 0.777 -11.186 5.684
143 H TRP 25 H TRP 25 1.158 -7.510 4.134
144 HA TRP 25 HA TRP 25 3.408 -7.090 2.387
145 HB2 TRP 25 2HB TRP 25 0.559 -6.123 1.899
146 HB3 TRP 25 1HB TRP 25 1.773 -6.567 0.700
147 HD1 TRP 25 HD1 TRP 25 -1.100 -7.959 2.620
148 HE1 TRP 25 HE1 TRP 25 -1.382 -10.450 2.175
149 HE3 TRP 25 HE3 TRP 25 3.351 -8.857 0.285
150 HZ2 TRP 25 HZ2 TRP 25 0.106 -12.573 1.035
151 HZ3 TRP 25 HZ3 TRP 25 3.853 -11.152 -0.444
152 HH2 TRP 25 HH2 TRP 25 2.267 -12.976 -0.078
153 H VAL 26 H VAL 26 4.526 -5.265 2.084
154 HA VAL 26 HA VAL 26 3.762 -2.752 3.463
155 HB VAL 26 HB VAL 26 6.498 -3.740 2.521
156 HG11 VAL 26 1HG1 VAL 26 6.405 -1.284 2.471
157 HG12 VAL 26 2HG1 VAL 26 7.443 -1.828 3.790
158 HG13 VAL 26 3HG1 VAL 26 5.809 -1.253 4.133
159 HG21 VAL 26 3HG2 VAL 26 7.019 -4.034 4.920
160 HG22 VAL 26 1HG2 VAL 26 5.665 -5.053 4.423
161 HG23 VAL 26 2HG2 VAL 26 5.367 -3.572 5.337
162 H CYS 27 H CYS 27 3.657 -0.819 2.249
163 HA CYS 27 HA CYS 27 3.647 -0.993 -0.643
164 HB2 CYS 27 2HB CYS 27 2.060 0.510 0.551
165 HB3 CYS 27 1HB CYS 27 3.412 1.494 1.100
166 H ILE 28 H ILE 28 5.512 -1.071 -1.718
167 HA ILE 28 HA ILE 28 7.952 0.213 -0.828
168 HB ILE 28 HB ILE 28 7.247 -1.244 -3.425
169 HG12 ILE 28 2HG1 ILE 28 9.089 -2.862 -2.527
170 HG13 ILE 28 1HG1 ILE 28 8.906 -2.024 -0.987
171 HG21 ILE 28 1HG2 ILE 28 9.654 -1.123 -4.046
172 HG22 ILE 28 2HG2 ILE 28 9.936 -0.039 -2.681
173 HG23 ILE 28 3HG2 ILE 28 8.887 0.467 -4.008
174 HD11 ILE 28 3HD1 ILE 28 6.548 -2.725 -0.928
175 HD12 ILE 28 1HD1 ILE 28 7.666 -4.086 -1.005
176 HD13 ILE 28 2HD1 ILE 28 6.781 -3.592 -2.450
177 H LEU 29 H LEU 29 8.447 2.332 -1.228
178 HA LEU 29 HA LEU 29 6.506 4.108 -2.200
179 HB2 LEU 29 2HB LEU 29 9.424 4.486 -1.501
180 HB3 LEU 29 1HB LEU 29 8.467 5.823 -2.097
181 HG LEU 29 HG LEU 29 8.528 6.042 0.274
182 HD11 LEU 29 1HD1 LEU 29 6.365 6.510 -0.735
183 HD12 LEU 29 2HD1 LEU 29 6.208 5.951 0.927
184 HD13 LEU 29 3HD1 LEU 29 5.837 4.856 -0.409
185 HD21 LEU 29 3HD2 LEU 29 9.222 3.799 0.929
186 HD22 LEU 29 1HD2 LEU 29 7.618 3.162 0.555
187 HD23 LEU 29 2HD2 LEU 29 7.831 4.316 1.877
188 H THR 30 H THR 30 9.168 2.570 -3.906
189 HA THR 30 HA THR 30 9.202 4.188 -6.240
190 HB THR 30 HB THR 30 9.977 1.264 -5.872
191 HG1 THR 30 HG1 THR 30 11.552 3.646 -5.766
192 HG21 THR 30 3HG2 THR 30 9.730 1.792 -8.276
193 HG22 THR 30 1HG2 THR 30 11.434 1.581 -7.859
194 HG23 THR 30 2HG2 THR 30 10.774 3.204 -8.084
195 H SER 31 H SER 31 7.504 1.131 -5.468
196 HA SER 31 HA SER 31 6.176 1.008 -8.069
197 HB2 SER 31 2HB SER 31 5.375 -1.198 -7.212
198 HB3 SER 31 1HB SER 31 7.127 -1.034 -7.054
199 HG SER 31 HG SER 31 5.988 -1.855 -5.158
200 H SER 32 H SER 32 5.541 2.328 -5.024
201 HA SER 32 HA SER 32 3.809 3.091 -3.838
202 HB2 SER 32 2HB SER 32 2.055 4.333 -5.112
203 HB3 SER 32 1HB SER 32 3.681 4.703 -5.662
204 HG SER 32 HG SER 32 2.333 2.667 -6.998
205 H ARG 33 H ARG 33 3.776 0.208 -4.167
206 HA ARG 33 HA ARG 33 0.939 -0.296 -3.645
207 HB2 ARG 33 2HB ARG 33 0.832 -2.261 -5.156
208 HB3 ARG 33 1HB ARG 33 1.047 -0.742 -6.015
209 HG2 ARG 33 2HG ARG 33 3.476 -1.283 -6.251
210 HG3 ARG 33 1HG ARG 33 3.159 -2.864 -5.522
211 HD2 ARG 33 2HD ARG 33 3.179 -3.028 -7.977
212 HD3 ARG 33 1HD ARG 33 1.566 -3.383 -7.344
213 HE ARG 33 HE ARG 33 2.328 -0.751 -8.511
214 HH11 ARG 33 1HH1 ARG 33 -0.032 -3.356 -8.210
215 HH12 ARG 33 2HH1 ARG 33 -1.202 -2.569 -9.214
216 HH21 ARG 33 1HH2 ARG 33 0.762 0.263 -9.803
217 HH22 ARG 33 2HH2 ARG 33 -0.754 -0.517 -10.116
218 H CYS 34 H CYS 34 0.445 -2.201 -2.562
219 HA CYS 34 HA CYS 34 2.391 -2.813 -0.535
220 HB2 CYS 34 2HB CYS 34 -0.431 -3.893 -0.814
221 HB3 CYS 34 1HB CYS 34 0.525 -3.752 0.663
222 H GLU 35 H GLU 35 3.948 -4.159 -1.330
223 HA GLU 35 HA GLU 35 3.169 -6.836 -2.365
224 HB2 GLU 35 2HB GLU 35 5.703 -5.223 -2.880
225 HB3 GLU 35 1HB GLU 35 5.378 -6.845 -3.504
226 HG2 GLU 35 2HG GLU 35 3.501 -5.989 -4.824
227 HG3 GLU 35 1HG GLU 35 3.738 -4.371 -4.161
228 H ASN 36 H ASN 36 5.481 -8.234 -2.038
229 HA ASN 36 HA ASN 36 5.446 -8.858 0.733
230 HB2 ASN 36 2HB ASN 36 7.048 -10.618 0.221
231 HB3 ASN 36 1HB ASN 36 5.828 -10.572 -1.042
232 HD21 ASN 36 1HD2 ASN 36 9.180 -10.060 -0.267
233 HD22 ASN 36 2HD2 ASN 36 9.754 -9.898 -1.888
234 HA PRO 37 HA PRO 37 8.825 -6.100 2.099
235 HB2 PRO 37 2HB PRO 37 9.172 -7.213 4.612
236 HB3 PRO 37 1HB PRO 37 7.893 -6.044 4.225
237 HG2 PRO 37 2HG PRO 37 7.721 -9.039 4.413
238 HG3 PRO 37 1HG PRO 37 6.577 -7.807 4.993
239 HD2 PRO 37 2HD PRO 37 6.161 -9.183 2.686
240 HD3 PRO 37 1HD PRO 37 5.627 -7.497 2.882
Start of MODEL 9
1 H1 ASP 1 1H ASP 1 -9.589 -6.560 -6.087
2 H2 ASP 1 2H ASP 1 -9.941 -7.865 -7.101
3 H3 ASP 1 3H ASP 1 -11.185 -6.875 -6.536
4 HA ASP 1 HA ASP 1 -8.988 -6.020 -8.300
5 HB2 ASP 1 2HB ASP 1 -10.655 -5.951 -10.108
6 HB3 ASP 1 1HB ASP 1 -10.547 -7.572 -9.444
7 H GLY 2 H GLY 2 -8.798 -3.851 -8.564
8 HA2 GLY 2 2HA GLY 2 -9.305 -1.628 -8.733
9 HA3 GLY 2 1HA GLY 2 -11.000 -2.049 -8.561
10 H GLU 3 H GLU 3 -8.673 -2.896 -6.061
11 HA GLU 3 HA GLU 3 -9.816 -0.802 -4.284
12 HB2 GLU 3 2HB GLU 3 -9.335 -2.261 -2.382
13 HB3 GLU 3 1HB GLU 3 -10.350 -3.109 -3.546
14 HG2 GLU 3 2HG GLU 3 -7.335 -3.494 -3.478
15 HG3 GLU 3 1HG GLU 3 -8.398 -4.389 -2.401
16 H CYS 4 H CYS 4 -8.033 -0.724 -2.252
17 HA CYS 4 HA CYS 4 -5.326 -0.322 -3.401
18 HB2 CYS 4 2HB CYS 4 -5.079 1.734 -2.068
19 HB3 CYS 4 1HB CYS 4 -6.453 1.893 -3.155
20 H GLY 5 H GLY 5 -3.648 -0.874 -2.008
21 HA2 GLY 5 2HA GLY 5 -2.634 -1.157 0.085
22 HA3 GLY 5 1HA GLY 5 -4.200 -1.360 0.840
23 H ASP 6 H ASP 6 -3.765 -3.280 -1.974
24 HA ASP 6 HA ASP 6 -3.284 -5.692 -0.297
25 HB2 ASP 6 2HB ASP 6 -5.018 -5.348 -2.791
26 HB3 ASP 6 1HB ASP 6 -4.620 -6.924 -2.091
27 H LYS 7 H LYS 7 -2.695 -7.606 -1.962
28 HA LYS 7 HA LYS 7 0.033 -7.187 -2.500
29 HB2 LYS 7 2HB LYS 7 -0.904 -9.410 -1.953
30 HB3 LYS 7 1HB LYS 7 -1.771 -9.444 -3.478
31 HG2 LYS 7 2HG LYS 7 0.245 -10.858 -3.533
32 HG3 LYS 7 1HG LYS 7 0.321 -9.568 -4.737
33 HD2 LYS 7 2HD LYS 7 1.902 -8.309 -3.410
34 HD3 LYS 7 1HD LYS 7 1.663 -9.361 -2.013
35 HE2 LYS 7 2HE LYS 7 3.809 -9.836 -3.130
36 HE3 LYS 7 1HE LYS 7 2.733 -11.226 -3.217
37 HZ1 LYS 7 3HZ LYS 7 2.144 -10.519 -5.497
38 HZ2 LYS 7 1HZ LYS 7 3.777 -10.914 -5.322
39 HZ3 LYS 7 2HZ LYS 7 3.306 -9.298 -5.398
40 H ASP 8 H ASP 8 0.937 -6.138 -4.072
41 HA ASP 8 HA ASP 8 1.570 -5.274 -6.036
42 HB2 ASP 8 2HB ASP 8 -0.344 -7.222 -7.386
43 HB3 ASP 8 1HB ASP 8 0.985 -6.364 -8.164
44 H GLU 9 H GLU 9 -0.840 -4.356 -4.560
45 HA GLU 9 HA GLU 9 -2.254 -2.823 -6.659
46 HB2 GLU 9 2HB GLU 9 -3.516 -4.654 -5.179
47 HB3 GLU 9 1HB GLU 9 -3.476 -3.417 -3.936
48 HG2 GLU 9 2HG GLU 9 -5.603 -3.296 -5.018
49 HG3 GLU 9 1HG GLU 9 -4.677 -1.873 -5.513
50 HA PRO 10 HA PRO 10 -0.146 0.730 -4.877
51 HB2 PRO 10 2HB PRO 10 -2.087 2.703 -5.501
52 HB3 PRO 10 1HB PRO 10 -0.810 2.124 -6.591
53 HG2 PRO 10 2HG PRO 10 -3.683 1.264 -6.418
54 HG3 PRO 10 1HG PRO 10 -2.676 1.557 -7.858
55 HD2 PRO 10 2HD PRO 10 -3.165 -0.938 -7.053
56 HD3 PRO 10 1HD PRO 10 -1.547 -0.499 -7.647
57 H CYS 11 H CYS 11 -0.020 1.698 -2.917
58 HA CYS 11 HA CYS 11 -2.045 1.145 -0.917
59 HB2 CYS 11 2HB CYS 11 -0.438 2.136 0.676
60 HB3 CYS 11 1HB CYS 11 0.361 0.956 -0.356
61 H CYS 12 H CYS 12 -3.638 2.510 -0.331
62 HA CYS 12 HA CYS 12 -3.815 5.234 -1.312
63 HB2 CYS 12 2HB CYS 12 -5.965 5.086 0.301
64 HB3 CYS 12 1HB CYS 12 -5.951 4.325 -1.284
65 H GLY 13 H GLY 13 -3.817 7.121 0.025
66 HA2 GLY 13 2HA GLY 13 -1.991 6.861 2.329
67 HA3 GLY 13 1HA GLY 13 -2.184 8.279 1.312
68 H ARG 14 H ARG 14 -2.820 7.143 4.311
69 HA ARG 14 HA ARG 14 -5.285 8.372 4.977
70 HB2 ARG 14 2HB ARG 14 -2.805 7.739 6.634
71 HB3 ARG 14 1HB ARG 14 -4.260 8.438 7.342
72 HG2 ARG 14 2HG ARG 14 -4.089 5.735 5.959
73 HG3 ARG 14 1HG ARG 14 -4.129 6.010 7.703
74 HD2 ARG 14 2HD ARG 14 -6.382 7.053 7.451
75 HD3 ARG 14 1HD ARG 14 -6.344 6.662 5.725
76 HE ARG 14 HE ARG 14 -5.892 4.258 6.930
77 HH11 ARG 14 1HH1 ARG 14 -8.467 6.620 7.323
78 HH12 ARG 14 2HH1 ARG 14 -9.647 5.432 7.762
79 HH21 ARG 14 1HH2 ARG 14 -7.484 2.729 7.503
80 HH22 ARG 14 2HH2 ARG 14 -9.097 3.247 7.862
81 HA PRO 15 HA PRO 15 -4.370 12.756 4.786
82 HB2 PRO 15 2HB PRO 15 -5.694 13.049 7.483
83 HB3 PRO 15 1HB PRO 15 -6.078 13.851 5.943
84 HG2 PRO 15 2HG PRO 15 -7.664 11.928 6.847
85 HG3 PRO 15 1HG PRO 15 -7.260 12.010 5.114
86 HD2 PRO 15 2HD PRO 15 -6.097 10.201 7.235
87 HD3 PRO 15 1HD PRO 15 -6.618 9.806 5.578
88 H ASP 16 H ASP 16 -3.642 11.134 7.854
89 HA ASP 16 HA ASP 16 -1.673 13.000 8.794
90 HB2 ASP 16 2HB ASP 16 -1.087 11.185 10.426
91 HB3 ASP 16 1HB ASP 16 -2.797 11.591 10.415
92 H GLY 17 H GLY 17 -1.587 10.220 6.650
93 HA2 GLY 17 2HA GLY 17 0.138 10.412 4.905
94 HA3 GLY 17 1HA GLY 17 1.311 10.692 6.176
95 H ALA 18 H ALA 18 -0.795 8.325 7.266
96 HA ALA 18 HA ALA 18 1.148 6.235 7.031
97 HB1 ALA 18 3HB ALA 18 -0.517 4.817 8.157
98 HB2 ALA 18 1HB ALA 18 -1.753 6.053 7.912
99 HB3 ALA 18 2HB ALA 18 -0.374 6.381 8.964
100 H LYS 19 H LYS 19 1.516 5.029 5.265
101 HA LYS 19 HA LYS 19 -0.230 4.822 3.003
102 HB2 LYS 19 2HB LYS 19 2.166 3.079 3.704
103 HB3 LYS 19 1HB LYS 19 1.421 3.233 2.115
104 HG2 LYS 19 2HG LYS 19 2.212 5.512 1.895
105 HG3 LYS 19 1HG LYS 19 2.793 5.518 3.568
106 HD2 LYS 19 2HD LYS 19 3.873 3.811 1.277
107 HD3 LYS 19 1HD LYS 19 4.671 5.208 2.010
108 HE2 LYS 19 2HE LYS 19 4.789 3.975 4.170
109 HE3 LYS 19 1HE LYS 19 4.033 2.577 3.407
110 HZ1 LYS 19 3HZ LYS 19 6.349 2.240 3.490
111 HZ2 LYS 19 1HZ LYS 19 6.676 3.738 2.781
112 HZ3 LYS 19 2HZ LYS 19 5.942 2.517 1.878
113 H VAL 20 H VAL 20 -1.991 3.605 2.996
114 HA VAL 20 HA VAL 20 -2.603 1.629 4.984
115 HB VAL 20 HB VAL 20 -4.183 2.525 2.522
116 HG11 VAL 20 1HG1 VAL 20 -5.133 0.861 4.900
117 HG12 VAL 20 2HG1 VAL 20 -4.949 0.297 3.238
118 HG13 VAL 20 3HG1 VAL 20 -6.172 1.508 3.624
119 HG21 VAL 20 3HG2 VAL 20 -3.787 4.357 4.136
120 HG22 VAL 20 1HG2 VAL 20 -4.472 3.377 5.437
121 HG23 VAL 20 2HG2 VAL 20 -5.488 3.905 4.094
122 H CYS 21 H CYS 21 -1.877 -0.341 4.834
123 HA CYS 21 HA CYS 21 -2.320 -1.968 2.448
124 HB2 CYS 21 2HB CYS 21 0.378 -1.913 3.878
125 HB3 CYS 21 1HB CYS 21 -0.075 -2.985 2.561
126 H ASN 22 H ASN 22 -2.966 -4.064 3.056
127 HA ASN 22 HA ASN 22 -3.269 -4.649 5.889
128 HB2 ASN 22 2HB ASN 22 -4.485 -6.654 5.213
129 HB3 ASN 22 1HB ASN 22 -5.087 -5.275 4.311
130 HD21 ASN 22 1HD2 ASN 22 -4.569 -5.117 2.072
131 HD22 ASN 22 2HD2 ASN 22 -4.120 -6.520 1.163
132 H ASP 23 H ASP 23 -2.081 -6.134 7.048
133 HA ASP 23 HA ASP 23 0.608 -6.536 6.223
134 HB2 ASP 23 2HB ASP 23 0.901 -7.672 8.410
135 HB3 ASP 23 1HB ASP 23 0.068 -6.133 8.570
136 HA PRO 24 HA PRO 24 2.351 -7.857 6.565
137 HB2 PRO 24 2HB PRO 24 4.168 -9.499 5.494
138 HB3 PRO 24 1HB PRO 24 3.118 -10.089 6.805
139 HG2 PRO 24 2HG PRO 24 2.933 -10.628 3.853
140 HG3 PRO 24 1HG PRO 24 2.616 -11.718 5.221
141 HD2 PRO 24 2HD PRO 24 0.671 -10.225 3.770
142 HD3 PRO 24 1HD PRO 24 0.403 -11.106 5.288
143 H TRP 25 H TRP 25 0.813 -7.426 3.775
144 HA TRP 25 HA TRP 25 2.867 -6.799 1.870
145 HB2 TRP 25 2HB TRP 25 0.035 -5.647 1.889
146 HB3 TRP 25 1HB TRP 25 1.102 -5.834 0.502
147 HD1 TRP 25 HD1 TRP 25 -1.953 -7.152 1.270
148 HE1 TRP 25 HE1 TRP 25 -2.273 -9.634 0.698
149 HE3 TRP 25 HE3 TRP 25 2.958 -8.569 0.883
150 HZ2 TRP 25 HZ2 TRP 25 -0.698 -11.878 0.166
151 HZ3 TRP 25 HZ3 TRP 25 3.449 -10.912 0.336
152 HH2 TRP 25 HH2 TRP 25 1.659 -12.535 -0.013
153 H VAL 26 H VAL 26 4.206 -5.131 1.979
154 HA VAL 26 HA VAL 26 3.537 -2.677 3.496
155 HB VAL 26 HB VAL 26 6.253 -3.818 2.655
156 HG11 VAL 26 1HG1 VAL 26 7.267 -1.983 4.012
157 HG12 VAL 26 2HG1 VAL 26 5.660 -1.293 4.270
158 HG13 VAL 26 3HG1 VAL 26 6.343 -1.358 2.645
159 HG21 VAL 26 3HG2 VAL 26 6.632 -4.200 5.075
160 HG22 VAL 26 1HG2 VAL 26 5.213 -5.086 4.513
161 HG23 VAL 26 2HG2 VAL 26 5.013 -3.596 5.440
162 H CYS 27 H CYS 27 3.412 -0.749 2.371
163 HA CYS 27 HA CYS 27 3.399 -0.753 -0.484
164 HB2 CYS 27 2HB CYS 27 1.951 0.790 0.808
165 HB3 CYS 27 1HB CYS 27 3.373 1.676 1.343
166 H ILE 28 H ILE 28 5.300 -1.297 -1.316
167 HA ILE 28 HA ILE 28 7.848 -0.185 -0.559
168 HB ILE 28 HB ILE 28 7.051 -1.812 -3.038
169 HG12 ILE 28 2HG1 ILE 28 6.576 -3.105 -1.004
170 HG13 ILE 28 1HG1 ILE 28 7.973 -3.802 -1.822
171 HG21 ILE 28 1HG2 ILE 28 9.465 -2.361 -3.272
172 HG22 ILE 28 2HG2 ILE 28 9.840 -1.277 -1.929
173 HG23 ILE 28 3HG2 ILE 28 9.167 -0.626 -3.424
174 HD11 ILE 28 3HD1 ILE 28 9.437 -2.663 -0.188
175 HD12 ILE 28 1HD1 ILE 28 8.309 -3.798 0.551
176 HD13 ILE 28 2HD1 ILE 28 7.998 -2.066 0.646
177 H LEU 29 H LEU 29 8.350 1.866 -1.089
178 HA LEU 29 HA LEU 29 6.705 3.592 -2.575
179 HB2 LEU 29 2HB LEU 29 9.587 4.000 -1.689
180 HB3 LEU 29 1HB LEU 29 8.595 5.271 -2.376
181 HG LEU 29 HG LEU 29 8.654 5.627 -0.019
182 HD11 LEU 29 1HD1 LEU 29 5.978 4.384 -0.673
183 HD12 LEU 29 2HD1 LEU 29 6.491 6.034 -1.037
184 HD13 LEU 29 3HD1 LEU 29 6.317 5.519 0.639
185 HD21 LEU 29 3HD2 LEU 29 7.775 2.760 0.424
186 HD22 LEU 29 1HD2 LEU 29 8.028 3.986 1.670
187 HD23 LEU 29 2HD2 LEU 29 9.390 3.411 0.714
188 H THR 30 H THR 30 9.549 1.784 -3.452
189 HA THR 30 HA THR 30 10.373 2.947 -5.844
190 HB THR 30 HB THR 30 10.378 -0.023 -5.147
191 HG1 THR 30 HG1 THR 30 12.187 2.046 -4.330
192 HG21 THR 30 3HG2 THR 30 12.329 1.626 -6.805
193 HG22 THR 30 1HG2 THR 30 11.181 0.457 -7.440
194 HG23 THR 30 2HG2 THR 30 12.506 -0.086 -6.403
195 H SER 31 H SER 31 8.014 0.331 -5.292
196 HA SER 31 HA SER 31 7.096 0.412 -8.089
197 HB2 SER 31 2HB SER 31 5.845 -1.688 -7.361
198 HB3 SER 31 1HB SER 31 7.606 -1.801 -7.276
199 HG SER 31 HG SER 31 6.769 -2.599 -5.372
200 H SER 32 H SER 32 6.311 1.824 -5.161
201 HA SER 32 HA SER 32 4.600 2.888 -4.181
202 HB2 SER 32 2HB SER 32 3.169 4.289 -5.676
203 HB3 SER 32 1HB SER 32 4.877 4.378 -6.096
204 HG SER 32 HG SER 32 3.374 2.441 -7.399
205 H ARG 33 H ARG 33 4.223 0.123 -4.220
206 HA ARG 33 HA ARG 33 1.287 -0.139 -4.114
207 HB2 ARG 33 2HB ARG 33 1.358 -2.338 -5.272
208 HB3 ARG 33 1HB ARG 33 1.881 -1.025 -6.326
209 HG2 ARG 33 2HG ARG 33 4.222 -1.630 -6.001
210 HG3 ARG 33 1HG ARG 33 3.777 -2.894 -4.856
211 HD2 ARG 33 2HD ARG 33 4.352 -3.776 -7.101
212 HD3 ARG 33 1HD ARG 33 2.699 -4.162 -6.631
213 HE ARG 33 HE ARG 33 2.788 -1.756 -8.161
214 HH11 ARG 33 1HH1 ARG 33 2.957 -5.242 -8.539
215 HH12 ARG 33 2HH1 ARG 33 2.366 -5.212 -10.165
216 HH21 ARG 33 1HH2 ARG 33 2.017 -1.754 -10.314
217 HH22 ARG 33 2HH2 ARG 33 1.841 -3.251 -11.166
218 H CYS 34 H CYS 34 0.543 -1.689 -2.639
219 HA CYS 34 HA CYS 34 2.300 -2.481 -0.519
220 HB2 CYS 34 2HB CYS 34 -0.555 -3.398 -1.036
221 HB3 CYS 34 1HB CYS 34 0.324 -3.477 0.490
222 H GLU 35 H GLU 35 3.796 -3.880 -1.079
223 HA GLU 35 HA GLU 35 3.160 -6.378 -2.530
224 HB2 GLU 35 2HB GLU 35 4.329 -4.765 -3.989
225 HB3 GLU 35 1HB GLU 35 5.570 -4.511 -2.769
226 HG2 GLU 35 2HG GLU 35 6.396 -6.793 -3.087
227 HG3 GLU 35 1HG GLU 35 5.105 -7.118 -4.251
228 H ASN 36 H ASN 36 4.795 -8.132 -2.026
229 HA ASN 36 HA ASN 36 5.068 -8.625 0.722
230 HB2 ASN 36 2HB ASN 36 6.481 -10.562 0.062
231 HB3 ASN 36 1HB ASN 36 5.043 -10.448 -0.949
232 HD21 ASN 36 1HD2 ASN 36 8.530 -10.042 -0.855
233 HD22 ASN 36 2HD2 ASN 36 8.769 -10.018 -2.568
234 HA PRO 37 HA PRO 37 8.913 -6.474 1.961
235 HB2 PRO 37 2HB PRO 37 9.426 -9.014 3.533
236 HB3 PRO 37 1HB PRO 37 9.429 -7.323 4.084
237 HG2 PRO 37 2HG PRO 37 7.389 -8.901 4.692
238 HG3 PRO 37 1HG PRO 37 7.109 -7.208 4.219
239 HD2 PRO 37 2HD PRO 37 6.728 -9.709 2.585
240 HD3 PRO 37 1HD PRO 37 5.708 -8.255 2.676
Start of MODEL 10
1 H1 ASP 1 1H ASP 1 -6.522 -3.167 -8.292
2 H2 ASP 1 2H ASP 1 -5.798 -3.429 -9.797
3 H3 ASP 1 3H ASP 1 -7.400 -3.901 -9.544
4 HA ASP 1 HA ASP 1 -6.424 -1.116 -9.461
5 HB2 ASP 1 2HB ASP 1 -6.350 -2.104 -11.756
6 HB3 ASP 1 1HB ASP 1 -8.046 -2.555 -11.611
7 H GLY 2 H GLY 2 -8.167 0.442 -9.229
8 HA2 GLY 2 2HA GLY 2 -10.289 1.213 -8.718
9 HA3 GLY 2 1HA GLY 2 -10.878 -0.438 -8.628
10 H GLU 3 H GLU 3 -8.675 -1.157 -6.721
11 HA GLU 3 HA GLU 3 -9.689 0.126 -4.249
12 HB2 GLU 3 2HB GLU 3 -9.516 -2.068 -3.149
13 HB3 GLU 3 1HB GLU 3 -10.623 -2.133 -4.514
14 HG2 GLU 3 2HG GLU 3 -8.925 -3.261 -5.871
15 HG3 GLU 3 1HG GLU 3 -7.759 -3.110 -4.555
16 H CYS 4 H CYS 4 -7.953 -1.039 -2.431
17 HA CYS 4 HA CYS 4 -5.217 -0.557 -3.303
18 HB2 CYS 4 2HB CYS 4 -4.860 1.319 -1.717
19 HB3 CYS 4 1HB CYS 4 -6.064 1.732 -2.931
20 H GLY 5 H GLY 5 -3.704 -1.454 -1.904
21 HA2 GLY 5 2HA GLY 5 -2.859 -1.696 0.284
22 HA3 GLY 5 1HA GLY 5 -4.478 -1.887 0.907
23 H ASP 6 H ASP 6 -3.467 -3.756 -1.876
24 HA ASP 6 HA ASP 6 -2.911 -6.146 -0.184
25 HB2 ASP 6 2HB ASP 6 -4.315 -6.102 -2.897
26 HB3 ASP 6 1HB ASP 6 -3.902 -7.555 -1.989
27 H LYS 7 H LYS 7 -1.666 -7.831 -1.523
28 HA LYS 7 HA LYS 7 0.816 -6.764 -2.358
29 HB2 LYS 7 2HB LYS 7 0.229 -9.120 -1.360
30 HB3 LYS 7 1HB LYS 7 -0.119 -9.587 -3.017
31 HG2 LYS 7 2HG LYS 7 2.560 -8.480 -2.108
32 HG3 LYS 7 1HG LYS 7 2.179 -10.202 -2.146
33 HD2 LYS 7 2HD LYS 7 1.793 -10.038 -4.608
34 HD3 LYS 7 1HD LYS 7 2.211 -8.327 -4.549
35 HE2 LYS 7 2HE LYS 7 4.491 -8.945 -3.761
36 HE3 LYS 7 1HE LYS 7 4.061 -10.650 -3.927
37 HZ1 LYS 7 3HZ LYS 7 3.631 -10.234 -6.291
38 HZ2 LYS 7 1HZ LYS 7 5.241 -9.908 -5.867
39 HZ3 LYS 7 2HZ LYS 7 4.148 -8.634 -6.106
40 H ASP 8 H ASP 8 1.467 -6.057 -4.339
41 HA ASP 8 HA ASP 8 1.482 -5.291 -6.443
42 HB2 ASP 8 2HB ASP 8 -0.253 -7.706 -7.073
43 HB3 ASP 8 1HB ASP 8 0.456 -6.658 -8.300
44 H GLU 9 H GLU 9 -0.790 -4.653 -4.526
45 HA GLU 9 HA GLU 9 -2.583 -3.317 -6.471
46 HB2 GLU 9 2HB GLU 9 -3.699 -5.051 -5.025
47 HB3 GLU 9 1HB GLU 9 -3.230 -4.133 -3.602
48 HG2 GLU 9 2HG GLU 9 -5.548 -3.688 -4.099
49 HG3 GLU 9 1HG GLU 9 -4.609 -2.225 -4.415
50 HA PRO 10 HA PRO 10 -0.341 0.438 -5.194
51 HB2 PRO 10 2HB PRO 10 -2.539 2.137 -5.905
52 HB3 PRO 10 1HB PRO 10 -1.177 1.683 -6.945
53 HG2 PRO 10 2HG PRO 10 -3.895 0.441 -6.736
54 HG3 PRO 10 1HG PRO 10 -2.909 0.766 -8.182
55 HD2 PRO 10 2HD PRO 10 -3.044 -1.697 -7.267
56 HD3 PRO 10 1HD PRO 10 -1.447 -1.063 -7.738
57 H CYS 11 H CYS 11 -0.133 1.181 -3.160
58 HA CYS 11 HA CYS 11 -2.190 0.780 -1.181
59 HB2 CYS 11 2HB CYS 11 -0.566 1.552 0.434
60 HB3 CYS 11 1HB CYS 11 0.279 0.504 -0.700
61 H CYS 12 H CYS 12 -3.656 2.257 -0.495
62 HA CYS 12 HA CYS 12 -3.668 4.980 -1.545
63 HB2 CYS 12 2HB CYS 12 -5.888 5.054 -0.179
64 HB3 CYS 12 1HB CYS 12 -5.825 3.981 -1.575
65 H GLY 13 H GLY 13 -2.268 6.322 -0.558
66 HA2 GLY 13 2HA GLY 13 -1.449 6.082 2.202
67 HA3 GLY 13 1HA GLY 13 -0.969 7.323 1.051
68 H ARG 14 H ARG 14 -2.548 6.908 3.870
69 HA ARG 14 HA ARG 14 -4.774 8.693 3.651
70 HB2 ARG 14 2HB ARG 14 -3.206 7.728 6.084
71 HB3 ARG 14 1HB ARG 14 -4.695 8.665 6.178
72 HG2 ARG 14 2HG ARG 14 -5.910 6.818 5.048
73 HG3 ARG 14 1HG ARG 14 -4.412 5.886 5.001
74 HD2 ARG 14 2HD ARG 14 -4.322 5.970 7.494
75 HD3 ARG 14 1HD ARG 14 -5.880 6.805 7.499
76 HE ARG 14 HE ARG 14 -6.411 4.575 6.083
77 HH11 ARG 14 1HH1 ARG 14 -4.942 5.036 9.244
78 HH12 ARG 14 2HH1 ARG 14 -5.499 3.514 9.846
79 HH21 ARG 14 1HH2 ARG 14 -7.098 2.584 6.898
80 HH22 ARG 14 2HH2 ARG 14 -6.713 2.135 8.520
81 HA PRO 15 HA PRO 15 -2.912 12.706 3.810
82 HB2 PRO 15 2HB PRO 15 -4.485 14.089 5.655
83 HB3 PRO 15 1HB PRO 15 -4.990 13.722 3.993
84 HG2 PRO 15 2HG PRO 15 -5.631 12.234 6.526
85 HG3 PRO 15 1HG PRO 15 -6.715 12.707 5.194
86 HD2 PRO 15 2HD PRO 15 -5.784 10.198 5.351
87 HD3 PRO 15 1HD PRO 15 -5.928 10.999 3.769
88 H ASP 16 H ASP 16 -3.331 11.100 6.933
89 HA ASP 16 HA ASP 16 -1.551 12.797 8.427
90 HB2 ASP 16 2HB ASP 16 -1.825 11.289 10.261
91 HB3 ASP 16 1HB ASP 16 -3.384 11.346 9.454
92 H GLY 17 H GLY 17 -1.217 9.965 6.401
93 HA2 GLY 17 2HA GLY 17 0.979 9.774 5.265
94 HA3 GLY 17 1HA GLY 17 1.737 9.904 6.844
95 H ALA 18 H ALA 18 -1.019 8.075 7.234
96 HA ALA 18 HA ALA 18 0.471 5.609 7.511
97 HB1 ALA 18 3HB ALA 18 -1.273 6.210 9.135
98 HB2 ALA 18 1HB ALA 18 -1.657 4.682 8.341
99 HB3 ALA 18 2HB ALA 18 -2.494 6.161 7.863
100 H LYS 19 H LYS 19 0.988 4.521 5.662
101 HA LYS 19 HA LYS 19 -0.608 4.465 3.272
102 HB2 LYS 19 2HB LYS 19 1.753 2.752 4.164
103 HB3 LYS 19 1HB LYS 19 1.034 2.683 2.556
104 HG2 LYS 19 2HG LYS 19 1.692 4.964 2.093
105 HG3 LYS 19 1HG LYS 19 2.258 5.189 3.750
106 HD2 LYS 19 2HD LYS 19 3.446 3.191 1.784
107 HD3 LYS 19 1HD LYS 19 4.092 4.807 2.071
108 HE2 LYS 19 2HE LYS 19 4.647 4.253 4.358
109 HE3 LYS 19 1HE LYS 19 3.784 2.720 4.253
110 HZ1 LYS 19 3HZ LYS 19 6.161 2.433 4.085
111 HZ2 LYS 19 1HZ LYS 19 6.216 3.413 2.708
112 HZ3 LYS 19 2HZ LYS 19 5.385 1.939 2.669
113 H VAL 20 H VAL 20 -2.407 3.293 3.019
114 HA VAL 20 HA VAL 20 -3.227 1.282 4.922
115 HB VAL 20 HB VAL 20 -4.584 2.189 2.341
116 HG11 VAL 20 1HG1 VAL 20 -5.399 -0.035 3.026
117 HG12 VAL 20 2HG1 VAL 20 -6.649 1.181 3.265
118 HG13 VAL 20 3HG1 VAL 20 -5.742 0.569 4.651
119 HG21 VAL 20 3HG2 VAL 20 -6.031 3.562 3.788
120 HG22 VAL 20 1HG2 VAL 20 -4.340 4.036 3.947
121 HG23 VAL 20 2HG2 VAL 20 -5.106 3.067 5.208
122 H CYS 21 H CYS 21 -2.289 -0.608 4.814
123 HA CYS 21 HA CYS 21 -2.542 -2.326 2.486
124 HB2 CYS 21 2HB CYS 21 0.150 -1.909 3.864
125 HB3 CYS 21 1HB CYS 21 -0.188 -3.104 2.615
126 H ASN 22 H ASN 22 -3.005 -4.432 3.155
127 HA ASN 22 HA ASN 22 -3.281 -4.950 6.000
128 HB2 ASN 22 2HB ASN 22 -4.317 -7.042 5.411
129 HB3 ASN 22 1HB ASN 22 -4.942 -5.838 4.295
130 HD21 ASN 22 1HD2 ASN 22 -4.346 -5.973 2.080
131 HD22 ASN 22 2HD2 ASN 22 -3.668 -7.422 1.418
132 H ASP 23 H ASP 23 -1.932 -6.225 7.248
133 HA ASP 23 HA ASP 23 0.788 -6.474 6.413
134 HB2 ASP 23 2HB ASP 23 1.115 -7.523 8.709
135 HB3 ASP 23 1HB ASP 23 0.442 -5.900 8.713
136 HA PRO 24 HA PRO 24 2.626 -7.833 7.026
137 HB2 PRO 24 2HB PRO 24 4.504 -9.307 5.817
138 HB3 PRO 24 1HB PRO 24 3.529 -10.022 7.124
139 HG2 PRO 24 2HG PRO 24 3.205 -10.344 4.147
140 HG3 PRO 24 1HG PRO 24 3.141 -11.583 5.424
141 HD2 PRO 24 2HD PRO 24 0.891 -10.340 4.316
142 HD3 PRO 24 1HD PRO 24 0.917 -11.150 5.897
143 H TRP 25 H TRP 25 1.078 -7.662 4.078
144 HA TRP 25 HA TRP 25 3.140 -6.954 2.247
145 HB2 TRP 25 2HB TRP 25 0.242 -6.044 2.030
146 HB3 TRP 25 1HB TRP 25 1.389 -6.298 0.720
147 HD1 TRP 25 HD1 TRP 25 -1.615 -7.721 1.520
148 HE1 TRP 25 HE1 TRP 25 -1.767 -10.254 1.169
149 HE3 TRP 25 HE3 TRP 25 3.394 -8.887 1.455
150 HZ2 TRP 25 HZ2 TRP 25 -0.052 -12.444 0.907
151 HZ3 TRP 25 HZ3 TRP 25 4.031 -11.248 1.154
152 HH2 TRP 25 HH2 TRP 25 2.340 -12.988 0.887
153 H VAL 26 H VAL 26 4.433 -5.279 2.566
154 HA VAL 26 HA VAL 26 3.501 -2.749 3.748
155 HB VAL 26 HB VAL 26 5.963 -2.160 3.801
156 HG11 VAL 26 1HG1 VAL 26 6.570 -3.669 5.666
157 HG12 VAL 26 2HG1 VAL 26 5.257 -4.762 5.220
158 HG13 VAL 26 3HG1 VAL 26 4.895 -3.132 5.796
159 HG21 VAL 26 3HG2 VAL 26 7.664 -3.938 3.402
160 HG22 VAL 26 1HG2 VAL 26 6.773 -3.557 1.927
161 HG23 VAL 26 2HG2 VAL 26 6.397 -5.025 2.830
162 H CYS 27 H CYS 27 3.443 -0.834 2.563
163 HA CYS 27 HA CYS 27 3.539 -1.009 -0.316
164 HB2 CYS 27 2HB CYS 27 1.792 0.350 0.725
165 HB3 CYS 27 1HB CYS 27 3.007 1.399 1.456
166 H ILE 28 H ILE 28 5.351 -0.845 -1.402
167 HA ILE 28 HA ILE 28 7.584 0.876 -0.550
168 HB ILE 28 HB ILE 28 7.354 -1.031 -2.943
169 HG12 ILE 28 2HG1 ILE 28 9.234 -2.296 -1.632
170 HG13 ILE 28 1HG1 ILE 28 8.731 -1.344 -0.238
171 HG21 ILE 28 1HG2 ILE 28 9.764 0.588 -2.036
172 HG22 ILE 28 2HG2 ILE 28 8.830 0.831 -3.512
173 HG23 ILE 28 3HG2 ILE 28 9.780 -0.639 -3.308
174 HD11 ILE 28 3HD1 ILE 28 7.749 -3.536 -0.182
175 HD12 ILE 28 1HD1 ILE 28 7.042 -3.308 -1.781
176 HD13 ILE 28 2HD1 ILE 28 6.484 -2.332 -0.419
177 H LEU 29 H LEU 29 7.565 2.950 -1.259
178 HA LEU 29 HA LEU 29 5.475 3.970 -2.905
179 HB2 LEU 29 2HB LEU 29 7.953 5.295 -1.745
180 HB3 LEU 29 1HB LEU 29 6.818 6.178 -2.741
181 HG LEU 29 HG LEU 29 6.340 6.694 -0.449
182 HD11 LEU 29 1HD1 LEU 29 3.998 6.050 -0.231
183 HD12 LEU 29 2HD1 LEU 29 4.204 4.789 -1.449
184 HD13 LEU 29 3HD1 LEU 29 4.384 6.490 -1.893
185 HD21 LEU 29 3HD2 LEU 29 6.066 3.729 0.123
186 HD22 LEU 29 1HD2 LEU 29 5.793 5.050 1.264
187 HD23 LEU 29 2HD2 LEU 29 7.407 4.761 0.623
188 H THR 30 H THR 30 8.702 2.876 -3.637
189 HA THR 30 HA THR 30 9.214 4.187 -6.074
190 HB THR 30 HB THR 30 10.042 1.331 -5.381
191 HG1 THR 30 HG1 THR 30 11.867 2.356 -4.359
192 HG21 THR 30 3HG2 THR 30 12.077 1.839 -6.662
193 HG22 THR 30 1HG2 THR 30 11.484 3.474 -6.991
194 HG23 THR 30 2HG2 THR 30 10.656 2.077 -7.677
195 H SER 31 H SER 31 7.520 1.143 -5.328
196 HA SER 31 HA SER 31 6.499 0.849 -8.081
197 HB2 SER 31 2HB SER 31 5.630 -1.350 -7.180
198 HB3 SER 31 1HB SER 31 7.381 -1.189 -7.060
199 HG SER 31 HG SER 31 6.760 -1.892 -5.096
200 H SER 32 H SER 32 5.630 2.283 -5.171
201 HA SER 32 HA SER 32 3.842 3.128 -4.161
202 HB2 SER 32 2HB SER 32 2.130 4.221 -5.636
203 HB3 SER 32 1HB SER 32 3.792 4.577 -6.094
204 HG SER 32 HG SER 32 3.577 3.425 -7.888
205 H ARG 33 H ARG 33 3.858 0.231 -4.378
206 HA ARG 33 HA ARG 33 0.975 -0.399 -4.063
207 HB2 ARG 33 2HB ARG 33 1.220 -2.494 -5.263
208 HB3 ARG 33 1HB ARG 33 1.857 -1.221 -6.299
209 HG2 ARG 33 2HG ARG 33 4.165 -1.828 -5.575
210 HG3 ARG 33 1HG ARG 33 3.499 -3.163 -4.635
211 HD2 ARG 33 2HD ARG 33 2.600 -4.141 -6.750
212 HD3 ARG 33 1HD ARG 33 3.364 -2.823 -7.649
213 HE ARG 33 HE ARG 33 5.168 -4.273 -5.947
214 HH11 ARG 33 1HH1 ARG 33 3.732 -4.284 -9.151
215 HH12 ARG 33 2HH1 ARG 33 5.010 -5.229 -9.844
216 HH21 ARG 33 1HH2 ARG 33 6.828 -5.484 -6.866
217 HH22 ARG 33 2HH2 ARG 33 6.765 -5.909 -8.544
218 H CYS 34 H CYS 34 0.509 -1.965 -2.489
219 HA CYS 34 HA CYS 34 2.464 -2.525 -0.451
220 HB2 CYS 34 2HB CYS 34 -0.189 -3.969 -0.757
221 HB3 CYS 34 1HB CYS 34 0.699 -3.616 0.725
222 H GLU 35 H GLU 35 3.502 -4.573 -0.076
223 HA GLU 35 HA GLU 35 3.393 -6.678 -2.056
224 HB2 GLU 35 2HB GLU 35 4.652 -4.752 -3.201
225 HB3 GLU 35 1HB GLU 35 5.901 -4.925 -1.972
226 HG2 GLU 35 2HG GLU 35 6.192 -7.317 -2.741
227 HG3 GLU 35 1HG GLU 35 5.099 -6.958 -4.077
228 H ASN 36 H ASN 36 5.157 -8.335 -1.614
229 HA ASN 36 HA ASN 36 5.311 -9.037 1.098
230 HB2 ASN 36 2HB ASN 36 6.881 -10.841 0.343
231 HB3 ASN 36 1HB ASN 36 5.408 -10.759 -0.615
232 HD21 ASN 36 1HD2 ASN 36 8.859 -10.258 -0.633
233 HD22 ASN 36 2HD2 ASN 36 9.028 -10.094 -2.344
234 HA PRO 37 HA PRO 37 8.972 -6.583 2.425
235 HB2 PRO 37 2HB PRO 37 8.882 -8.545 4.714
236 HB3 PRO 37 1HB PRO 37 8.918 -6.769 4.752
237 HG2 PRO 37 2HG PRO 37 6.672 -8.081 5.318
238 HG3 PRO 37 1HG PRO 37 6.636 -6.566 4.386
239 HD2 PRO 37 2HD PRO 37 6.367 -9.396 3.386
240 HD3 PRO 37 1HD PRO 37 5.482 -7.935 2.897
Start of MODEL 11
1 H1 ASP 1 1H ASP 1 -8.792 -7.854 -5.586
2 H2 ASP 1 2H ASP 1 -10.328 -7.200 -5.856
3 H3 ASP 1 3H ASP 1 -9.141 -6.276 -5.086
4 HA ASP 1 HA ASP 1 -7.821 -6.192 -7.032
5 HB2 ASP 1 2HB ASP 1 -10.043 -7.881 -8.287
6 HB3 ASP 1 1HB ASP 1 -8.724 -7.130 -9.188
7 H GLY 2 H GLY 2 -8.057 -4.064 -7.261
8 HA2 GLY 2 2HA GLY 2 -9.116 -2.403 -8.763
9 HA3 GLY 2 1HA GLY 2 -10.677 -2.945 -8.152
10 H GLU 3 H GLU 3 -9.805 -3.164 -5.363
11 HA GLU 3 HA GLU 3 -9.644 -0.315 -4.653
12 HB2 GLU 3 2HB GLU 3 -10.239 -0.925 -2.368
13 HB3 GLU 3 1HB GLU 3 -11.400 -1.620 -3.486
14 HG2 GLU 3 2HG GLU 3 -9.099 -3.275 -2.424
15 HG3 GLU 3 1HG GLU 3 -10.559 -3.047 -1.472
16 H CYS 4 H CYS 4 -8.199 0.226 -2.790
17 HA CYS 4 HA CYS 4 -5.499 -0.481 -3.659
18 HB2 CYS 4 2HB CYS 4 -4.904 1.500 -2.192
19 HB3 CYS 4 1HB CYS 4 -6.073 1.878 -3.451
20 H GLY 5 H GLY 5 -3.910 -1.410 -2.341
21 HA2 GLY 5 2HA GLY 5 -2.964 -1.466 -0.075
22 HA3 GLY 5 1HA GLY 5 -4.543 -1.914 0.536
23 H ASP 6 H ASP 6 -4.179 -3.706 -2.241
24 HA ASP 6 HA ASP 6 -3.407 -6.067 -0.661
25 HB2 ASP 6 2HB ASP 6 -4.849 -5.782 -3.326
26 HB3 ASP 6 1HB ASP 6 -4.381 -7.338 -2.639
27 H LYS 7 H LYS 7 -2.420 -7.863 -2.288
28 HA LYS 7 HA LYS 7 0.296 -6.992 -2.508
29 HB2 LYS 7 2HB LYS 7 -0.683 -9.339 -1.811
30 HB3 LYS 7 1HB LYS 7 -0.683 -9.679 -3.534
31 HG2 LYS 7 2HG LYS 7 1.801 -8.816 -2.010
32 HG3 LYS 7 1HG LYS 7 1.328 -10.504 -2.196
33 HD2 LYS 7 2HD LYS 7 1.579 -10.358 -4.615
34 HD3 LYS 7 1HD LYS 7 1.896 -8.625 -4.524
35 HE2 LYS 7 2HE LYS 7 3.992 -9.064 -3.312
36 HE3 LYS 7 1HE LYS 7 3.670 -10.801 -3.363
37 HZ1 LYS 7 3HZ LYS 7 5.197 -10.108 -5.106
38 HZ2 LYS 7 1HZ LYS 7 4.040 -9.049 -5.732
39 HZ3 LYS 7 2HZ LYS 7 3.763 -10.716 -5.769
40 H ASP 8 H ASP 8 1.392 -6.326 -4.240
41 HA ASP 8 HA ASP 8 1.865 -5.337 -6.186
42 HB2 ASP 8 2HB ASP 8 0.225 -7.598 -7.397
43 HB3 ASP 8 1HB ASP 8 1.252 -6.508 -8.327
44 H GLU 9 H GLU 9 -0.734 -4.704 -4.764
45 HA GLU 9 HA GLU 9 -2.238 -3.400 -6.961
46 HB2 GLU 9 2HB GLU 9 -3.537 -5.001 -5.540
47 HB3 GLU 9 1HB GLU 9 -3.117 -4.065 -4.116
48 HG2 GLU 9 2HG GLU 9 -5.297 -3.414 -4.590
49 HG3 GLU 9 1HG GLU 9 -4.322 -2.097 -5.234
50 HA PRO 10 HA PRO 10 -0.480 0.628 -5.708
51 HB2 PRO 10 2HB PRO 10 -2.939 1.996 -6.314
52 HB3 PRO 10 1HB PRO 10 -1.541 1.790 -7.387
53 HG2 PRO 10 2HG PRO 10 -4.034 0.140 -7.189
54 HG3 PRO 10 1HG PRO 10 -3.120 0.635 -8.628
55 HD2 PRO 10 2HD PRO 10 -2.889 -1.842 -7.764
56 HD3 PRO 10 1HD PRO 10 -1.406 -0.968 -8.231
57 H CYS 11 H CYS 11 -0.267 1.113 -3.598
58 HA CYS 11 HA CYS 11 -2.340 0.750 -1.632
59 HB2 CYS 11 2HB CYS 11 -0.718 1.420 -0.009
60 HB3 CYS 11 1HB CYS 11 0.194 0.518 -1.214
61 H CYS 12 H CYS 12 -3.469 2.352 -0.557
62 HA CYS 12 HA CYS 12 -3.423 5.099 -1.644
63 HB2 CYS 12 2HB CYS 12 -5.596 5.214 -0.130
64 HB3 CYS 12 1HB CYS 12 -5.662 4.406 -1.690
65 H GLY 13 H GLY 13 -3.127 6.842 -0.172
66 HA2 GLY 13 2HA GLY 13 -1.646 6.099 2.288
67 HA3 GLY 13 1HA GLY 13 -1.295 7.480 1.265
68 H ARG 14 H ARG 14 -2.252 6.920 4.179
69 HA ARG 14 HA ARG 14 -4.466 8.676 4.590
70 HB2 ARG 14 2HB ARG 14 -2.215 7.820 6.470
71 HB3 ARG 14 1HB ARG 14 -3.671 8.671 6.970
72 HG2 ARG 14 2HG ARG 14 -3.575 5.874 5.796
73 HG3 ARG 14 1HG ARG 14 -3.762 6.276 7.505
74 HD2 ARG 14 2HD ARG 14 -5.890 7.484 6.927
75 HD3 ARG 14 1HD ARG 14 -5.718 6.905 5.269
76 HE ARG 14 HE ARG 14 -6.322 4.778 5.937
77 HH11 ARG 14 1HH1 ARG 14 -5.947 6.785 8.819
78 HH12 ARG 14 2HH1 ARG 14 -6.687 5.622 9.865
79 HH21 ARG 14 1HH2 ARG 14 -7.244 3.265 7.367
80 HH22 ARG 14 2HH2 ARG 14 -7.417 3.640 9.047
81 HA PRO 15 HA PRO 15 -2.286 12.613 4.089
82 HB2 PRO 15 2HB PRO 15 -3.738 14.219 5.826
83 HB3 PRO 15 1HB PRO 15 -4.325 13.730 4.220
84 HG2 PRO 15 2HG PRO 15 -4.954 12.534 6.906
85 HG3 PRO 15 1HG PRO 15 -6.053 12.908 5.558
86 HD2 PRO 15 2HD PRO 15 -5.182 10.393 6.005
87 HD3 PRO 15 1HD PRO 15 -5.437 11.000 4.355
88 H ASP 16 H ASP 16 -2.751 11.208 7.277
89 HA ASP 16 HA ASP 16 -0.713 12.708 8.653
90 HB2 ASP 16 2HB ASP 16 -1.014 10.950 10.452
91 HB3 ASP 16 1HB ASP 16 -2.483 11.810 10.005
92 H GLY 17 H GLY 17 -0.571 10.173 6.388
93 HA2 GLY 17 2HA GLY 17 1.527 9.915 5.282
94 HA3 GLY 17 1HA GLY 17 2.345 10.028 6.827
95 H ALA 18 H ALA 18 -0.264 8.025 7.326
96 HA ALA 18 HA ALA 18 1.405 5.655 7.374
97 HB1 ALA 18 3HB ALA 18 -0.548 4.557 8.381
98 HB2 ALA 18 1HB ALA 18 -1.544 5.976 8.020
99 HB3 ALA 18 2HB ALA 18 -0.213 6.100 9.168
100 H LYS 19 H LYS 19 1.472 4.042 5.874
101 HA LYS 19 HA LYS 19 0.041 4.353 3.350
102 HB2 LYS 19 2HB LYS 19 2.081 2.229 4.142
103 HB3 LYS 19 1HB LYS 19 1.521 2.598 2.515
104 HG2 LYS 19 2HG LYS 19 3.138 4.490 4.263
105 HG3 LYS 19 1HG LYS 19 3.813 3.455 3.013
106 HD2 LYS 19 2HD LYS 19 3.664 5.462 1.852
107 HD3 LYS 19 1HD LYS 19 2.110 4.756 1.426
108 HE2 LYS 19 2HE LYS 19 0.986 6.165 3.096
109 HE3 LYS 19 1HE LYS 19 2.536 6.782 3.664
110 HZ1 LYS 19 3HZ LYS 19 1.405 7.182 0.965
111 HZ2 LYS 19 1HZ LYS 19 2.873 7.805 1.519
112 HZ3 LYS 19 2HZ LYS 19 1.418 8.327 2.203
113 H VAL 20 H VAL 20 -1.807 3.292 2.907
114 HA VAL 20 HA VAL 20 -2.922 1.375 4.800
115 HB VAL 20 HB VAL 20 -4.175 2.511 2.257
116 HG11 VAL 20 1HG1 VAL 20 -6.339 1.780 3.239
117 HG12 VAL 20 2HG1 VAL 20 -5.481 1.041 4.594
118 HG13 VAL 20 3HG1 VAL 20 -5.258 0.414 2.960
119 HG21 VAL 20 3HG2 VAL 20 -4.515 3.470 5.137
120 HG22 VAL 20 1HG2 VAL 20 -5.408 4.071 3.735
121 HG23 VAL 20 2HG2 VAL 20 -3.668 4.326 3.847
122 H CYS 21 H CYS 21 -2.211 -0.614 4.585
123 HA CYS 21 HA CYS 21 -2.737 -2.108 2.130
124 HB2 CYS 21 2HB CYS 21 -0.066 -2.262 3.601
125 HB3 CYS 21 1HB CYS 21 -0.550 -3.274 2.245
126 H ASN 22 H ASN 22 -3.229 -4.344 2.592
127 HA ASN 22 HA ASN 22 -4.081 -4.849 5.311
128 HB2 ASN 22 2HB ASN 22 -5.061 -6.902 4.521
129 HB3 ASN 22 1HB ASN 22 -5.396 -5.680 3.303
130 HD21 ASN 22 1HD2 ASN 22 -4.266 -5.800 1.294
131 HD22 ASN 22 2HD2 ASN 22 -3.586 -7.300 0.754
132 H ASP 23 H ASP 23 -2.975 -5.960 6.846
133 HA ASP 23 HA ASP 23 -0.161 -6.135 6.582
134 HB2 ASP 23 2HB ASP 23 -0.124 -6.903 8.900
135 HB3 ASP 23 1HB ASP 23 -1.297 -5.609 8.745
136 HA PRO 24 HA PRO 24 1.599 -7.175 7.322
137 HB2 PRO 24 2HB PRO 24 3.726 -8.751 6.817
138 HB3 PRO 24 1HB PRO 24 2.534 -9.209 8.053
139 HG2 PRO 24 2HG PRO 24 2.983 -10.375 5.362
140 HG3 PRO 24 1HG PRO 24 2.275 -11.114 6.813
141 HD2 PRO 24 2HD PRO 24 0.884 -9.905 4.556
142 HD3 PRO 24 1HD PRO 24 0.181 -10.732 5.962
143 H TRP 25 H TRP 25 0.648 -7.387 4.221
144 HA TRP 25 HA TRP 25 2.970 -6.889 2.652
145 HB2 TRP 25 2HB TRP 25 0.126 -5.979 2.009
146 HB3 TRP 25 1HB TRP 25 1.438 -6.224 0.863
147 HD1 TRP 25 HD1 TRP 25 -1.573 -7.873 1.993
148 HE1 TRP 25 HE1 TRP 25 -1.585 -10.374 1.446
149 HE3 TRP 25 HE3 TRP 25 3.393 -8.500 0.949
150 HZ2 TRP 25 HZ2 TRP 25 0.245 -12.360 0.692
151 HZ3 TRP 25 HZ3 TRP 25 4.179 -10.749 0.316
152 HH2 TRP 25 HH2 TRP 25 2.633 -12.641 0.191
153 H VAL 26 H VAL 26 4.117 -5.036 2.323
154 HA VAL 26 HA VAL 26 3.227 -2.514 3.594
155 HB VAL 26 HB VAL 26 5.636 -1.874 3.690
156 HG11 VAL 26 1HG1 VAL 26 5.119 -4.586 4.971
157 HG12 VAL 26 2HG1 VAL 26 4.641 -3.024 5.634
158 HG13 VAL 26 3HG1 VAL 26 6.352 -3.421 5.471
159 HG21 VAL 26 3HG2 VAL 26 7.428 -3.514 3.182
160 HG22 VAL 26 1HG2 VAL 26 6.488 -3.141 1.735
161 HG23 VAL 26 2HG2 VAL 26 6.227 -4.663 2.591
162 H CYS 27 H CYS 27 3.222 -0.618 2.398
163 HA CYS 27 HA CYS 27 3.354 -0.837 -0.490
164 HB2 CYS 27 2HB CYS 27 1.570 0.531 0.468
165 HB3 CYS 27 1HB CYS 27 2.752 1.576 1.250
166 H ILE 28 H ILE 28 5.287 -0.812 -1.423
167 HA ILE 28 HA ILE 28 7.570 0.667 -0.428
168 HB ILE 28 HB ILE 28 7.129 -0.875 -3.041
169 HG12 ILE 28 2HG1 ILE 28 8.983 -2.385 -2.027
170 HG13 ILE 28 1HG1 ILE 28 8.727 -1.528 -0.508
171 HG21 ILE 28 1HG2 ILE 28 9.550 -0.596 -3.524
172 HG22 ILE 28 2HG2 ILE 28 9.685 0.518 -2.159
173 HG23 ILE 28 3HG2 ILE 28 8.675 0.940 -3.543
174 HD11 ILE 28 3HD1 ILE 28 6.431 -2.345 -0.443
175 HD12 ILE 28 1HD1 ILE 28 7.589 -3.667 -0.574
176 HD13 ILE 28 2HD1 ILE 28 6.669 -3.163 -1.990
177 H LEU 29 H LEU 29 7.949 2.776 -0.858
178 HA LEU 29 HA LEU 29 5.922 4.367 -2.039
179 HB2 LEU 29 2HB LEU 29 8.635 5.007 -0.874
180 HB3 LEU 29 1HB LEU 29 7.724 6.262 -1.687
181 HG LEU 29 HG LEU 29 7.374 6.452 0.703
182 HD11 LEU 29 1HD1 LEU 29 4.941 6.404 0.820
183 HD12 LEU 29 2HD1 LEU 29 4.872 5.372 -0.611
184 HD13 LEU 29 3HD1 LEU 29 5.488 7.022 -0.738
185 HD21 LEU 29 3HD2 LEU 29 6.326 3.602 0.682
186 HD22 LEU 29 1HD2 LEU 29 6.317 4.710 2.058
187 HD23 LEU 29 2HD2 LEU 29 7.848 4.147 1.394
188 H THR 30 H THR 30 8.925 3.114 -3.352
189 HA THR 30 HA THR 30 9.184 4.748 -5.650
190 HB THR 30 HB THR 30 9.969 1.817 -5.270
191 HG1 THR 30 HG1 THR 30 11.082 2.999 -3.780
192 HG21 THR 30 3HG2 THR 30 9.988 2.451 -7.666
193 HG22 THR 30 1HG2 THR 30 11.621 2.193 -7.056
194 HG23 THR 30 2HG2 THR 30 11.021 3.834 -7.298
195 H SER 31 H SER 31 7.533 1.646 -5.183
196 HA SER 31 HA SER 31 6.453 1.603 -7.890
197 HB2 SER 31 2HB SER 31 5.620 -0.657 -7.119
198 HB3 SER 31 1HB SER 31 7.366 -0.453 -6.954
199 HG SER 31 HG SER 31 6.568 -1.319 -5.063
200 H SER 32 H SER 32 5.515 2.665 -4.804
201 HA SER 32 HA SER 32 3.679 3.197 -3.663
202 HB2 SER 32 2HB SER 32 1.938 4.516 -4.935
203 HB3 SER 32 1HB SER 32 3.595 5.053 -5.193
204 HG SER 32 HG SER 32 2.415 3.212 -6.970
205 H ARG 33 H ARG 33 3.814 0.421 -4.382
206 HA ARG 33 HA ARG 33 0.951 -0.310 -4.152
207 HB2 ARG 33 2HB ARG 33 1.348 -2.372 -5.478
208 HB3 ARG 33 1HB ARG 33 1.618 -0.921 -6.436
209 HG2 ARG 33 2HG ARG 33 3.999 -1.189 -6.350
210 HG3 ARG 33 1HG ARG 33 3.887 -2.449 -5.126
211 HD2 ARG 33 2HD ARG 33 4.430 -3.334 -7.382
212 HD3 ARG 33 1HD ARG 33 2.924 -3.996 -6.737
213 HE ARG 33 HE ARG 33 2.342 -1.734 -8.321
214 HH11 ARG 33 1HH1 ARG 33 3.438 -5.041 -8.732
215 HH12 ARG 33 2HH1 ARG 33 2.769 -5.196 -10.324
216 HH21 ARG 33 1HH2 ARG 33 1.431 -1.969 -10.396
217 HH22 ARG 33 2HH2 ARG 33 1.636 -3.455 -11.265
218 H CYS 34 H CYS 34 0.513 -2.136 -2.873
219 HA CYS 34 HA CYS 34 2.390 -2.599 -0.712
220 HB2 CYS 34 2HB CYS 34 -0.319 -3.919 -1.120
221 HB3 CYS 34 1HB CYS 34 0.564 -3.710 0.392
222 H GLU 35 H GLU 35 3.974 -4.041 -0.988
223 HA GLU 35 HA GLU 35 3.489 -6.657 -2.285
224 HB2 GLU 35 2HB GLU 35 6.046 -4.995 -2.235
225 HB3 GLU 35 1HB GLU 35 5.894 -6.610 -2.931
226 HG2 GLU 35 2HG GLU 35 4.422 -5.806 -4.657
227 HG3 GLU 35 1HG GLU 35 4.311 -4.214 -3.899
228 H ASN 36 H ASN 36 5.725 -7.992 -1.530
229 HA ASN 36 HA ASN 36 5.385 -8.636 1.205
230 HB2 ASN 36 2HB ASN 36 7.341 -10.102 0.926
231 HB3 ASN 36 1HB ASN 36 6.290 -10.234 -0.482
232 HD21 ASN 36 1HD2 ASN 36 9.368 -9.069 0.700
233 HD22 ASN 36 2HD2 ASN 36 10.092 -8.810 -0.846
234 HA PRO 37 HA PRO 37 8.286 -5.662 3.130
235 HB2 PRO 37 2HB PRO 37 8.620 -7.540 5.412
236 HB3 PRO 37 1HB PRO 37 7.824 -5.953 5.374
237 HG2 PRO 37 2HG PRO 37 6.415 -8.236 5.686
238 HG3 PRO 37 1HG PRO 37 5.767 -6.821 4.825
239 HD2 PRO 37 2HD PRO 37 6.995 -9.328 3.660
240 HD3 PRO 37 1HD PRO 37 5.497 -8.485 3.188
Start of MODEL 12
1 H1 ASP 1 1H ASP 1 -6.516 -3.991 -10.044
2 H2 ASP 1 2H ASP 1 -8.087 -4.316 -9.509
3 H3 ASP 1 3H ASP 1 -7.012 -3.466 -8.522
4 HA ASP 1 HA ASP 1 -7.000 -1.597 -9.917
5 HB2 ASP 1 2HB ASP 1 -8.729 -3.270 -11.798
6 HB3 ASP 1 1HB ASP 1 -8.358 -1.559 -12.024
7 H GLY 2 H GLY 2 -8.155 -0.248 -8.664
8 HA2 GLY 2 2HA GLY 2 -10.246 0.947 -8.461
9 HA3 GLY 2 1HA GLY 2 -11.102 -0.586 -8.467
10 H GLU 3 H GLU 3 -9.228 -1.875 -6.650
11 HA GLU 3 HA GLU 3 -9.960 -0.615 -4.095
12 HB2 GLU 3 2HB GLU 3 -9.593 -2.740 -3.050
13 HB3 GLU 3 1HB GLU 3 -10.498 -3.067 -4.521
14 HG2 GLU 3 2HG GLU 3 -7.504 -3.483 -4.165
15 HG3 GLU 3 1HG GLU 3 -8.717 -4.750 -4.015
16 H CYS 4 H CYS 4 -8.007 -1.369 -2.381
17 HA CYS 4 HA CYS 4 -5.372 -0.737 -3.445
18 HB2 CYS 4 2HB CYS 4 -5.030 1.247 -2.032
19 HB3 CYS 4 1HB CYS 4 -6.395 1.510 -3.111
20 H GLY 5 H GLY 5 -3.730 -1.472 -2.136
21 HA2 GLY 5 2HA GLY 5 -2.725 -1.658 0.009
22 HA3 GLY 5 1HA GLY 5 -4.286 -1.982 0.722
23 H ASP 6 H ASP 6 -3.937 -3.829 -2.075
24 HA ASP 6 HA ASP 6 -3.436 -6.249 -0.476
25 HB2 ASP 6 2HB ASP 6 -4.393 -5.912 -3.357
26 HB3 ASP 6 1HB ASP 6 -4.216 -7.461 -2.538
27 H LYS 7 H LYS 7 -2.198 -8.007 -1.676
28 HA LYS 7 HA LYS 7 0.503 -7.135 -1.970
29 HB2 LYS 7 2HB LYS 7 -0.413 -9.354 -0.958
30 HB3 LYS 7 1HB LYS 7 -0.544 -9.928 -2.613
31 HG2 LYS 7 2HG LYS 7 2.072 -8.921 -1.444
32 HG3 LYS 7 1HG LYS 7 1.543 -10.596 -1.263
33 HD2 LYS 7 2HD LYS 7 1.506 -10.851 -3.718
34 HD3 LYS 7 1HD LYS 7 2.010 -9.171 -3.910
35 HE2 LYS 7 2HE LYS 7 4.129 -9.688 -2.741
36 HE3 LYS 7 1HE LYS 7 3.628 -11.378 -2.602
37 HZ1 LYS 7 3HZ LYS 7 3.583 -11.540 -4.980
38 HZ2 LYS 7 1HZ LYS 7 5.100 -10.986 -4.487
39 HZ3 LYS 7 2HZ LYS 7 3.980 -9.906 -5.153
40 H ASP 8 H ASP 8 1.550 -6.585 -3.785
41 HA ASP 8 HA ASP 8 2.006 -5.893 -5.878
42 HB2 ASP 8 2HB ASP 8 0.452 -8.395 -6.631
43 HB3 ASP 8 1HB ASP 8 1.288 -7.397 -7.817
44 H GLU 9 H GLU 9 -0.347 -4.872 -4.517
45 HA GLU 9 HA GLU 9 -1.934 -3.829 -6.808
46 HB2 GLU 9 2HB GLU 9 -3.096 -5.508 -5.139
47 HB3 GLU 9 1HB GLU 9 -3.056 -4.187 -3.990
48 HG2 GLU 9 2HG GLU 9 -5.232 -4.244 -4.970
49 HG3 GLU 9 1HG GLU 9 -4.413 -2.825 -5.636
50 HA PRO 10 HA PRO 10 -0.408 0.189 -5.463
51 HB2 PRO 10 2HB PRO 10 -2.633 1.783 -6.071
52 HB3 PRO 10 1HB PRO 10 -1.410 1.262 -7.254
53 HG2 PRO 10 2HG PRO 10 -4.082 0.018 -6.629
54 HG3 PRO 10 1HG PRO 10 -3.344 0.359 -8.213
55 HD2 PRO 10 2HD PRO 10 -3.263 -2.108 -7.256
56 HD3 PRO 10 1HD PRO 10 -1.818 -1.437 -8.045
57 H CYS 11 H CYS 11 -0.263 1.081 -3.498
58 HA CYS 11 HA CYS 11 -2.215 0.546 -1.418
59 HB2 CYS 11 2HB CYS 11 -0.563 1.566 0.091
60 HB3 CYS 11 1HB CYS 11 0.236 0.398 -0.954
61 H CYS 12 H CYS 12 -3.569 2.053 -0.507
62 HA CYS 12 HA CYS 12 -3.724 4.754 -1.648
63 HB2 CYS 12 2HB CYS 12 -5.810 4.798 -0.024
64 HB3 CYS 12 1HB CYS 12 -5.894 3.866 -1.511
65 H GLY 13 H GLY 13 -2.908 6.485 -0.583
66 HA2 GLY 13 2HA GLY 13 -1.424 6.017 1.906
67 HA3 GLY 13 1HA GLY 13 -1.233 7.367 0.797
68 H ARG 14 H ARG 14 -2.233 6.677 3.806
69 HA ARG 14 HA ARG 14 -4.441 8.394 4.239
70 HB2 ARG 14 2HB ARG 14 -2.212 7.431 6.079
71 HB3 ARG 14 1HB ARG 14 -3.579 8.388 6.647
72 HG2 ARG 14 2HG ARG 14 -3.792 5.648 5.359
73 HG3 ARG 14 1HG ARG 14 -3.814 5.961 7.098
74 HD2 ARG 14 2HD ARG 14 -5.870 7.297 6.841
75 HD3 ARG 14 1HD ARG 14 -5.846 7.019 5.098
76 HE ARG 14 HE ARG 14 -6.366 4.736 5.463
77 HH11 ARG 14 1HH1 ARG 14 -6.556 6.586 8.443
78 HH12 ARG 14 2HH1 ARG 14 -7.523 5.398 9.253
79 HH21 ARG 14 1HH2 ARG 14 -7.630 3.202 6.549
80 HH22 ARG 14 2HH2 ARG 14 -8.131 3.484 8.185
81 HA PRO 15 HA PRO 15 -2.526 12.440 3.756
82 HB2 PRO 15 2HB PRO 15 -3.971 13.867 5.700
83 HB3 PRO 15 1HB PRO 15 -4.546 13.520 4.055
84 HG2 PRO 15 2HG PRO 15 -5.144 12.064 6.616
85 HG3 PRO 15 1HG PRO 15 -6.238 12.504 5.281
86 HD2 PRO 15 2HD PRO 15 -5.311 9.993 5.508
87 HD3 PRO 15 1HD PRO 15 -5.488 10.752 3.907
88 H ASP 16 H ASP 16 -2.643 10.907 6.895
89 HA ASP 16 HA ASP 16 -0.680 12.593 8.185
90 HB2 ASP 16 2HB ASP 16 -0.772 10.824 9.989
91 HB3 ASP 16 1HB ASP 16 -2.322 11.571 9.607
92 H GLY 17 H GLY 17 -0.450 10.070 5.924
93 HA2 GLY 17 2HA GLY 17 1.698 9.931 4.811
94 HA3 GLY 17 1HA GLY 17 2.482 9.925 6.378
95 H ALA 18 H ALA 18 -0.075 7.954 6.886
96 HA ALA 18 HA ALA 18 1.600 5.603 6.874
97 HB1 ALA 18 3HB ALA 18 -1.351 5.891 7.516
98 HB2 ALA 18 1HB ALA 18 -0.024 6.006 8.676
99 HB3 ALA 18 2HB ALA 18 -0.353 4.475 7.862
100 H LYS 19 H LYS 19 1.256 3.674 5.674
101 HA LYS 19 HA LYS 19 -0.103 3.989 3.067
102 HB2 LYS 19 2HB LYS 19 1.918 1.882 3.961
103 HB3 LYS 19 1HB LYS 19 1.249 2.056 2.340
104 HG2 LYS 19 2HG LYS 19 2.980 4.147 3.701
105 HG3 LYS 19 1HG LYS 19 3.601 2.890 2.641
106 HD2 LYS 19 2HD LYS 19 3.459 4.665 1.154
107 HD3 LYS 19 1HD LYS 19 1.896 3.902 0.879
108 HE2 LYS 19 2HE LYS 19 0.800 5.591 2.273
109 HE3 LYS 19 1HE LYS 19 2.364 6.287 2.709
110 HZ1 LYS 19 3HZ LYS 19 1.214 7.541 0.975
111 HZ2 LYS 19 1HZ LYS 19 1.259 6.193 -0.043
112 HZ3 LYS 19 2HZ LYS 19 2.695 6.935 0.435
113 H VAL 20 H VAL 20 -2.090 3.126 2.950
114 HA VAL 20 HA VAL 20 -3.078 1.202 4.879
115 HB VAL 20 HB VAL 20 -4.472 2.214 2.359
116 HG11 VAL 20 1HG1 VAL 20 -6.579 1.522 3.481
117 HG12 VAL 20 2HG1 VAL 20 -5.645 0.850 4.820
118 HG13 VAL 20 3HG1 VAL 20 -5.509 0.144 3.207
119 HG21 VAL 20 3HG2 VAL 20 -4.667 3.266 5.200
120 HG22 VAL 20 1HG2 VAL 20 -5.636 3.813 3.830
121 HG23 VAL 20 2HG2 VAL 20 -3.893 4.083 3.839
122 H CYS 21 H CYS 21 -1.891 -0.572 4.637
123 HA CYS 21 HA CYS 21 -2.432 -2.294 2.293
124 HB2 CYS 21 2HB CYS 21 0.102 -2.249 3.992
125 HB3 CYS 21 1HB CYS 21 -0.223 -3.352 2.663
126 H ASN 22 H ASN 22 -3.176 -4.364 2.863
127 HA ASN 22 HA ASN 22 -3.874 -4.835 5.639
128 HB2 ASN 22 2HB ASN 22 -4.937 -6.910 4.855
129 HB3 ASN 22 1HB ASN 22 -5.453 -5.543 3.894
130 HD21 ASN 22 1HD2 ASN 22 -4.910 -5.453 1.715
131 HD22 ASN 22 2HD2 ASN 22 -4.254 -6.813 0.868
132 H ASP 23 H ASP 23 -2.893 -6.217 7.036
133 HA ASP 23 HA ASP 23 -0.102 -6.515 6.862
134 HB2 ASP 23 2HB ASP 23 -0.287 -7.740 9.024
135 HB3 ASP 23 1HB ASP 23 -1.241 -6.263 9.025
136 HA PRO 24 HA PRO 24 1.616 -7.605 7.437
137 HB2 PRO 24 2HB PRO 24 3.735 -9.173 6.945
138 HB3 PRO 24 1HB PRO 24 2.460 -9.739 8.048
139 HG2 PRO 24 2HG PRO 24 3.021 -10.569 5.225
140 HG3 PRO 24 1HG PRO 24 2.387 -11.527 6.582
141 HD2 PRO 24 2HD PRO 24 0.858 -10.241 4.514
142 HD3 PRO 24 1HD PRO 24 0.228 -11.091 5.940
143 H TRP 25 H TRP 25 0.661 -7.220 4.498
144 HA TRP 25 HA TRP 25 3.066 -6.890 2.916
145 HB2 TRP 25 2HB TRP 25 0.297 -5.808 2.234
146 HB3 TRP 25 1HB TRP 25 1.607 -6.190 1.116
147 HD1 TRP 25 HD1 TRP 25 -1.571 -7.479 1.622
148 HE1 TRP 25 HE1 TRP 25 -1.758 -10.028 1.421
149 HE3 TRP 25 HE3 TRP 25 3.386 -8.734 2.117
150 HZ2 TRP 25 HZ2 TRP 25 -0.067 -12.271 1.464
151 HZ3 TRP 25 HZ3 TRP 25 4.004 -11.112 2.025
152 HH2 TRP 25 HH2 TRP 25 2.311 -12.845 1.704
153 H VAL 26 H VAL 26 4.081 -4.999 2.344
154 HA VAL 26 HA VAL 26 3.289 -2.476 3.684
155 HB VAL 26 HB VAL 26 5.741 -1.947 3.952
156 HG11 VAL 26 1HG1 VAL 26 4.881 -4.510 5.357
157 HG12 VAL 26 2HG1 VAL 26 4.491 -2.866 5.871
158 HG13 VAL 26 3HG1 VAL 26 6.165 -3.420 5.893
159 HG21 VAL 26 3HG2 VAL 26 7.431 -3.758 3.746
160 HG22 VAL 26 1HG2 VAL 26 6.680 -3.405 2.190
161 HG23 VAL 26 2HG2 VAL 26 6.198 -4.844 3.097
162 H CYS 27 H CYS 27 3.356 -0.662 2.407
163 HA CYS 27 HA CYS 27 3.621 -1.047 -0.454
164 HB2 CYS 27 2HB CYS 27 1.757 0.314 0.404
165 HB3 CYS 27 1HB CYS 27 2.900 1.463 1.088
166 H ILE 28 H ILE 28 5.419 -0.759 -1.526
167 HA ILE 28 HA ILE 28 7.675 0.773 -0.542
168 HB ILE 28 HB ILE 28 7.192 -0.584 -3.250
169 HG12 ILE 28 2HG1 ILE 28 9.125 -2.096 -2.434
170 HG13 ILE 28 1HG1 ILE 28 8.923 -1.357 -0.847
171 HG21 ILE 28 1HG2 ILE 28 9.584 -0.140 -3.773
172 HG22 ILE 28 2HG2 ILE 28 9.717 0.838 -2.308
173 HG23 ILE 28 3HG2 ILE 28 8.651 1.348 -3.619
174 HD11 ILE 28 3HD1 ILE 28 6.659 -2.264 -0.721
175 HD12 ILE 28 1HD1 ILE 28 7.858 -3.528 -0.985
176 HD13 ILE 28 2HD1 ILE 28 6.849 -2.982 -2.324
177 H LEU 29 H LEU 29 8.016 2.886 -0.971
178 HA LEU 29 HA LEU 29 5.712 4.444 -1.440
179 HB2 LEU 29 2HB LEU 29 8.611 5.360 -1.232
180 HB3 LEU 29 1HB LEU 29 7.223 6.428 -1.183
181 HG LEU 29 HG LEU 29 7.985 6.211 1.064
182 HD11 LEU 29 1HD1 LEU 29 6.109 5.242 2.266
183 HD12 LEU 29 2HD1 LEU 29 5.585 4.395 0.807
184 HD13 LEU 29 3HD1 LEU 29 5.563 6.161 0.865
185 HD21 LEU 29 3HD2 LEU 29 9.380 4.206 0.848
186 HD22 LEU 29 1HD2 LEU 29 7.934 3.192 0.804
187 HD23 LEU 29 2HD2 LEU 29 8.331 4.108 2.261
188 H THR 30 H THR 30 8.593 3.882 -3.416
189 HA THR 30 HA THR 30 8.100 5.859 -5.404
190 HB THR 30 HB THR 30 9.882 3.390 -5.635
191 HG1 THR 30 HG1 THR 30 10.489 5.959 -4.530
192 HG21 THR 30 3HG2 THR 30 9.575 4.671 -7.761
193 HG22 THR 30 1HG2 THR 30 11.232 4.771 -7.160
194 HG23 THR 30 2HG2 THR 30 10.132 6.131 -6.937
195 H SER 31 H SER 31 7.388 2.392 -5.188
196 HA SER 31 HA SER 31 6.282 2.224 -7.881
197 HB2 SER 31 2HB SER 31 5.850 -0.156 -7.237
198 HB3 SER 31 1HB SER 31 7.530 0.314 -6.990
199 HG SER 31 HG SER 31 6.896 -0.750 -5.182
200 H SER 32 H SER 32 5.183 3.070 -4.771
201 HA SER 32 HA SER 32 3.242 3.451 -3.740
202 HB2 SER 32 2HB SER 32 1.442 4.527 -5.086
203 HB3 SER 32 1HB SER 32 3.033 5.169 -5.470
204 HG SER 32 HG SER 32 1.964 3.077 -7.026
205 H ARG 33 H ARG 33 3.720 0.721 -4.101
206 HA ARG 33 HA ARG 33 0.983 -0.392 -4.247
207 HB2 ARG 33 2HB ARG 33 1.681 -2.305 -5.542
208 HB3 ARG 33 1HB ARG 33 2.198 -0.863 -6.406
209 HG2 ARG 33 2HG ARG 33 4.509 -1.193 -5.590
210 HG3 ARG 33 1HG ARG 33 4.000 -2.628 -4.703
211 HD2 ARG 33 2HD ARG 33 3.366 -3.686 -6.884
212 HD3 ARG 33 1HD ARG 33 3.999 -2.261 -7.719
213 HE ARG 33 HE ARG 33 5.859 -3.580 -5.921
214 HH11 ARG 33 1HH1 ARG 33 4.729 -3.427 -9.259
215 HH12 ARG 33 2HH1 ARG 33 6.174 -4.134 -9.893
216 HH21 ARG 33 1HH2 ARG 33 7.714 -4.529 -6.773
217 HH22 ARG 33 2HH2 ARG 33 7.870 -4.758 -8.488
218 H CYS 34 H CYS 34 0.506 -1.842 -2.650
219 HA CYS 34 HA CYS 34 2.409 -2.491 -0.594
220 HB2 CYS 34 2HB CYS 34 -0.337 -3.706 -1.044
221 HB3 CYS 34 1HB CYS 34 0.601 -3.737 0.448
222 H GLU 35 H GLU 35 3.692 -4.228 -0.500
223 HA GLU 35 HA GLU 35 3.297 -6.614 -2.133
224 HB2 GLU 35 2HB GLU 35 4.561 -4.939 -3.567
225 HB3 GLU 35 1HB GLU 35 5.822 -4.885 -2.345
226 HG2 GLU 35 2HG GLU 35 6.345 -7.259 -2.765
227 HG3 GLU 35 1HG GLU 35 5.043 -7.339 -3.952
228 H ASN 36 H ASN 36 5.165 -8.222 -1.542
229 HA ASN 36 HA ASN 36 5.134 -8.610 1.253
230 HB2 ASN 36 2HB ASN 36 6.535 -10.590 0.825
231 HB3 ASN 36 1HB ASN 36 5.208 -10.505 -0.318
232 HD21 ASN 36 1HD2 ASN 36 8.663 -10.274 0.085
233 HD22 ASN 36 2HD2 ASN 36 9.071 -10.326 -1.594
234 HA PRO 37 HA PRO 37 8.803 -6.180 2.431
235 HB2 PRO 37 2HB PRO 37 9.207 -7.312 4.949
236 HB3 PRO 37 1HB PRO 37 7.998 -6.050 4.609
237 HG2 PRO 37 2HG PRO 37 7.619 -9.028 4.835
238 HG3 PRO 37 1HG PRO 37 6.600 -7.707 5.458
239 HD2 PRO 37 2HD PRO 37 5.957 -9.052 3.194
240 HD3 PRO 37 1HD PRO 37 5.586 -7.325 3.387
Start of MODEL 13
1 H1 ASP 1 1H ASP 1 -8.834 -5.255 -7.081
2 H2 ASP 1 2H ASP 1 -8.511 -6.069 -8.529
3 H3 ASP 1 3H ASP 1 -10.030 -5.376 -8.266
4 HA ASP 1 HA ASP 1 -7.514 -3.862 -8.394
5 HB2 ASP 1 2HB ASP 1 -9.598 -4.373 -10.560
6 HB3 ASP 1 1HB ASP 1 -8.399 -3.083 -10.657
7 H GLY 2 H GLY 2 -7.718 -1.688 -8.051
8 HA2 GLY 2 2HA GLY 2 -8.839 0.381 -7.873
9 HA3 GLY 2 1HA GLY 2 -10.382 -0.454 -7.754
10 H GLU 3 H GLU 3 -9.185 -2.317 -5.679
11 HA GLU 3 HA GLU 3 -9.527 -0.625 -3.336
12 HB2 GLU 3 2HB GLU 3 -9.656 -2.627 -2.018
13 HB3 GLU 3 1HB GLU 3 -10.586 -2.930 -3.475
14 HG2 GLU 3 2HG GLU 3 -7.761 -3.944 -2.990
15 HG3 GLU 3 1HG GLU 3 -9.221 -4.882 -2.702
16 H CYS 4 H CYS 4 -7.870 -1.352 -1.457
17 HA CYS 4 HA CYS 4 -5.128 -0.955 -2.539
18 HB2 CYS 4 2HB CYS 4 -4.725 0.777 -0.886
19 HB3 CYS 4 1HB CYS 4 -6.174 1.210 -1.789
20 H GLY 5 H GLY 5 -3.477 -1.892 -1.358
21 HA2 GLY 5 2HA GLY 5 -2.557 -2.419 0.810
22 HA3 GLY 5 1HA GLY 5 -4.112 -3.052 1.311
23 H ASP 6 H ASP 6 -3.886 -4.216 -1.690
24 HA ASP 6 HA ASP 6 -2.901 -6.826 -0.758
25 HB2 ASP 6 2HB ASP 6 -4.443 -6.032 -3.271
26 HB3 ASP 6 1HB ASP 6 -4.006 -7.681 -2.833
27 H LYS 7 H LYS 7 -1.738 -8.174 -2.506
28 HA LYS 7 HA LYS 7 0.773 -6.948 -3.006
29 HB2 LYS 7 2HB LYS 7 0.113 -9.495 -2.612
30 HB3 LYS 7 1HB LYS 7 -0.020 -9.547 -4.361
31 HG2 LYS 7 2HG LYS 7 2.476 -8.806 -2.782
32 HG3 LYS 7 1HG LYS 7 2.174 -10.362 -3.559
33 HD2 LYS 7 2HD LYS 7 2.171 -9.240 -5.773
34 HD3 LYS 7 1HD LYS 7 2.465 -7.689 -4.994
35 HE2 LYS 7 2HE LYS 7 4.639 -8.605 -4.132
36 HE3 LYS 7 1HE LYS 7 4.344 -10.068 -5.079
37 HZ1 LYS 7 3HZ LYS 7 5.762 -8.520 -6.260
38 HZ2 LYS 7 1HZ LYS 7 4.584 -7.311 -6.166
39 HZ3 LYS 7 2HZ LYS 7 4.297 -8.704 -7.079
40 H ASP 8 H ASP 8 1.465 -5.799 -4.684
41 HA ASP 8 HA ASP 8 1.581 -4.561 -6.512
42 HB2 ASP 8 2HB ASP 8 0.252 -6.963 -7.794
43 HB3 ASP 8 1HB ASP 8 0.809 -5.576 -8.725
44 H GLU 9 H GLU 9 -0.989 -4.579 -4.827
45 HA GLU 9 HA GLU 9 -2.580 -2.836 -6.603
46 HB2 GLU 9 2HB GLU 9 -3.265 -4.361 -4.076
47 HB3 GLU 9 1HB GLU 9 -4.181 -2.913 -4.474
48 HG2 GLU 9 2HG GLU 9 -5.396 -4.829 -5.242
49 HG3 GLU 9 1HG GLU 9 -4.836 -3.921 -6.637
50 HA PRO 10 HA PRO 10 -0.551 0.711 -4.832
51 HB2 PRO 10 2HB PRO 10 -2.581 2.611 -5.070
52 HB3 PRO 10 1HB PRO 10 -1.572 2.062 -6.423
53 HG2 PRO 10 2HG PRO 10 -4.317 1.122 -5.626
54 HG3 PRO 10 1HG PRO 10 -3.700 1.546 -7.242
55 HD2 PRO 10 2HD PRO 10 -3.900 -1.016 -6.497
56 HD3 PRO 10 1HD PRO 10 -2.495 -0.468 -7.446
57 H CYS 11 H CYS 11 -0.217 1.458 -2.769
58 HA CYS 11 HA CYS 11 -2.034 0.688 -0.653
59 HB2 CYS 11 2HB CYS 11 -0.365 1.628 0.873
60 HB3 CYS 11 1HB CYS 11 0.416 0.606 -0.323
61 H CYS 12 H CYS 12 -3.481 1.966 0.400
62 HA CYS 12 HA CYS 12 -4.255 4.457 -0.849
63 HB2 CYS 12 2HB CYS 12 -6.022 4.266 1.181
64 HB3 CYS 12 1HB CYS 12 -6.182 3.321 -0.289
65 H GLY 13 H GLY 13 -3.130 6.176 -0.418
66 HA2 GLY 13 2HA GLY 13 -1.661 6.628 2.017
67 HA3 GLY 13 1HA GLY 13 -1.774 7.696 0.627
68 H ARG 14 H ARG 14 -2.832 7.114 3.766
69 HA ARG 14 HA ARG 14 -5.175 8.703 3.911
70 HB2 ARG 14 2HB ARG 14 -3.132 7.942 6.033
71 HB3 ARG 14 1HB ARG 14 -4.671 8.718 6.386
72 HG2 ARG 14 2HG ARG 14 -4.371 5.994 5.084
73 HG3 ARG 14 1HG ARG 14 -4.664 6.267 6.803
74 HD2 ARG 14 2HD ARG 14 -6.798 7.416 6.229
75 HD3 ARG 14 1HD ARG 14 -6.516 7.043 4.521
76 HE ARG 14 HE ARG 14 -6.462 4.608 5.370
77 HH11 ARG 14 1HH1 ARG 14 -8.563 7.076 6.733
78 HH12 ARG 14 2HH1 ARG 14 -9.768 5.937 7.233
79 HH21 ARG 14 1HH2 ARG 14 -8.047 3.141 6.028
80 HH22 ARG 14 2HH2 ARG 14 -9.476 3.707 6.832
81 HA PRO 15 HA PRO 15 -3.830 12.913 3.398
82 HB2 PRO 15 2HB PRO 15 -5.118 14.072 5.684
83 HB3 PRO 15 1HB PRO 15 -5.798 13.893 4.057
84 HG2 PRO 15 2HG PRO 15 -6.121 12.121 6.448
85 HG3 PRO 15 1HG PRO 15 -7.311 12.570 5.204
86 HD2 PRO 15 2HD PRO 15 -6.208 10.161 5.157
87 HD3 PRO 15 1HD PRO 15 -6.417 11.056 3.631
88 H ASP 16 H ASP 16 -3.391 11.651 6.695
89 HA ASP 16 HA ASP 16 -1.599 13.689 7.638
90 HB2 ASP 16 2HB ASP 16 -1.295 12.287 9.596
91 HB3 ASP 16 1HB ASP 16 -2.994 12.227 9.135
92 H GLY 17 H GLY 17 -1.137 10.863 5.707
93 HA2 GLY 17 2HA GLY 17 0.886 10.946 4.289
94 HA3 GLY 17 1HA GLY 17 1.808 11.217 5.761
95 H ALA 18 H ALA 18 -0.667 9.013 6.360
96 HA ALA 18 HA ALA 18 1.205 6.846 6.724
97 HB1 ALA 18 3HB ALA 18 -1.803 6.906 7.105
98 HB2 ALA 18 1HB ALA 18 -0.596 7.278 8.338
99 HB3 ALA 18 2HB ALA 18 -0.711 5.644 7.682
100 H LYS 19 H LYS 19 1.614 5.187 5.357
101 HA LYS 19 HA LYS 19 -0.024 4.708 2.961
102 HB2 LYS 19 2HB LYS 19 2.534 3.301 3.852
103 HB3 LYS 19 1HB LYS 19 1.761 3.166 2.279
104 HG2 LYS 19 2HG LYS 19 2.970 5.742 3.336
105 HG3 LYS 19 1HG LYS 19 3.859 4.569 2.375
106 HD2 LYS 19 2HD LYS 19 3.213 6.188 0.794
107 HD3 LYS 19 1HD LYS 19 2.021 4.915 0.566
108 HE2 LYS 19 2HE LYS 19 1.012 7.169 0.514
109 HE3 LYS 19 1HE LYS 19 0.373 6.207 1.845
110 HZ1 LYS 19 3HZ LYS 19 0.815 8.345 2.674
111 HZ2 LYS 19 1HZ LYS 19 2.358 8.393 1.995
112 HZ3 LYS 19 2HZ LYS 19 2.036 7.354 3.287
113 H VAL 20 H VAL 20 -1.733 3.351 3.229
114 HA VAL 20 HA VAL 20 -1.699 1.376 5.427
115 HB VAL 20 HB VAL 20 -4.035 2.438 3.770
116 HG11 VAL 20 1HG1 VAL 20 -4.081 0.508 6.142
117 HG12 VAL 20 2HG1 VAL 20 -4.500 0.118 4.473
118 HG13 VAL 20 3HG1 VAL 20 -5.506 1.235 5.392
119 HG21 VAL 20 3HG2 VAL 20 -4.713 3.576 5.869
120 HG22 VAL 20 1HG2 VAL 20 -3.120 4.116 5.336
121 HG23 VAL 20 2HG2 VAL 20 -3.263 2.977 6.677
122 H CYS 21 H CYS 21 -1.301 -0.653 4.999
123 HA CYS 21 HA CYS 21 -2.426 -1.942 2.607
124 HB2 CYS 21 2HB CYS 21 0.367 -2.492 3.707
125 HB3 CYS 21 1HB CYS 21 -0.404 -3.364 2.384
126 H ASN 22 H ASN 22 -3.161 -4.082 2.990
127 HA ASN 22 HA ASN 22 -3.475 -4.878 5.776
128 HB2 ASN 22 2HB ASN 22 -4.834 -6.784 4.858
129 HB3 ASN 22 1HB ASN 22 -5.450 -5.197 4.428
130 HD21 ASN 22 1HD2 ASN 22 -5.656 -4.662 2.286
131 HD22 ASN 22 2HD2 ASN 22 -5.265 -5.732 0.975
132 H ASP 23 H ASP 23 -2.567 -6.705 6.705
133 HA ASP 23 HA ASP 23 0.103 -7.280 5.891
134 HB2 ASP 23 2HB ASP 23 0.104 -8.837 7.896
135 HB3 ASP 23 1HB ASP 23 -0.353 -7.183 8.262
136 HA PRO 24 HA PRO 24 1.645 -8.924 6.241
137 HB2 PRO 24 2HB PRO 24 3.315 -10.652 5.079
138 HB3 PRO 24 1HB PRO 24 2.075 -11.254 6.202
139 HG2 PRO 24 2HG PRO 24 2.087 -11.320 3.197
140 HG3 PRO 24 1HG PRO 24 1.550 -12.566 4.346
141 HD2 PRO 24 2HD PRO 24 -0.121 -10.690 3.045
142 HD3 PRO 24 1HD PRO 24 -0.571 -11.690 4.444
143 H TRP 25 H TRP 25 0.412 -7.719 3.648
144 HA TRP 25 HA TRP 25 2.735 -7.185 1.971
145 HB2 TRP 25 2HB TRP 25 -0.002 -5.888 1.659
146 HB3 TRP 25 1HB TRP 25 1.230 -6.152 0.426
147 HD1 TRP 25 HD1 TRP 25 -2.008 -7.396 1.190
148 HE1 TRP 25 HE1 TRP 25 -2.388 -9.794 0.387
149 HE3 TRP 25 HE3 TRP 25 2.857 -8.814 0.465
150 HZ2 TRP 25 HZ2 TRP 25 -0.871 -12.008 -0.412
151 HZ3 TRP 25 HZ3 TRP 25 3.298 -11.107 -0.312
152 HH2 TRP 25 HH2 TRP 25 1.472 -12.674 -0.740
153 H VAL 26 H VAL 26 3.822 -5.290 1.835
154 HA VAL 26 HA VAL 26 3.131 -3.018 3.599
155 HB VAL 26 HB VAL 26 5.610 -2.643 3.922
156 HG11 VAL 26 1HG1 VAL 26 4.343 -3.806 5.693
157 HG12 VAL 26 2HG1 VAL 26 5.990 -4.430 5.596
158 HG13 VAL 26 3HG1 VAL 26 4.654 -5.363 4.916
159 HG21 VAL 26 3HG2 VAL 26 7.225 -4.465 3.402
160 HG22 VAL 26 1HG2 VAL 26 6.467 -3.852 1.930
161 HG23 VAL 26 2HG2 VAL 26 5.942 -5.389 2.618
162 H CYS 27 H CYS 27 3.319 -0.989 2.646
163 HA CYS 27 HA CYS 27 3.337 -0.903 -0.223
164 HB2 CYS 27 2HB CYS 27 1.883 0.608 1.094
165 HB3 CYS 27 1HB CYS 27 3.298 1.442 1.718
166 H ILE 28 H ILE 28 5.193 -1.147 -1.263
167 HA ILE 28 HA ILE 28 7.710 0.014 -0.437
168 HB ILE 28 HB ILE 28 6.880 -1.271 -3.087
169 HG12 ILE 28 2HG1 ILE 28 8.354 -2.503 -0.694
170 HG13 ILE 28 1HG1 ILE 28 6.690 -2.852 -1.162
171 HG21 ILE 28 1HG2 ILE 28 8.845 0.184 -3.371
172 HG22 ILE 28 2HG2 ILE 28 9.302 -1.510 -3.536
173 HG23 ILE 28 3HG2 ILE 28 9.674 -0.643 -2.046
174 HD11 ILE 28 3HD1 ILE 28 8.167 -4.645 -1.835
175 HD12 ILE 28 1HD1 ILE 28 9.169 -3.520 -2.750
176 HD13 ILE 28 2HD1 ILE 28 7.511 -3.845 -3.263
177 H LEU 29 H LEU 29 8.119 2.109 -0.697
178 HA LEU 29 HA LEU 29 6.243 3.926 -1.782
179 HB2 LEU 29 2HB LEU 29 9.058 4.305 -0.721
180 HB3 LEU 29 1HB LEU 29 8.106 5.653 -1.303
181 HG LEU 29 HG LEU 29 7.982 5.631 1.097
182 HD11 LEU 29 1HD1 LEU 29 5.577 5.511 1.486
183 HD12 LEU 29 2HD1 LEU 29 5.362 4.611 -0.016
184 HD13 LEU 29 3HD1 LEU 29 5.939 6.279 -0.059
185 HD21 LEU 29 3HD2 LEU 29 8.567 3.289 1.538
186 HD22 LEU 29 1HD2 LEU 29 6.975 2.771 0.976
187 HD23 LEU 29 2HD2 LEU 29 7.124 3.768 2.425
188 H THR 30 H THR 30 9.100 2.456 -3.139
189 HA THR 30 HA THR 30 9.641 4.193 -5.300
190 HB THR 30 HB THR 30 10.071 1.167 -5.165
191 HG1 THR 30 HG1 THR 30 12.021 1.653 -4.188
192 HG21 THR 30 3HG2 THR 30 11.947 1.543 -6.704
193 HG22 THR 30 1HG2 THR 30 11.592 3.273 -6.749
194 HG23 THR 30 2HG2 THR 30 10.448 2.118 -7.435
195 H SER 31 H SER 31 7.553 1.336 -5.007
196 HA SER 31 HA SER 31 6.530 1.611 -7.752
197 HB2 SER 31 2HB SER 31 5.500 -0.658 -7.193
198 HB3 SER 31 1HB SER 31 7.263 -0.617 -7.126
199 HG SER 31 HG SER 31 6.218 -1.649 -5.305
200 H SER 32 H SER 32 5.725 2.639 -4.660
201 HA SER 32 HA SER 32 3.959 3.408 -3.516
202 HB2 SER 32 2HB SER 32 2.294 4.767 -4.771
203 HB3 SER 32 1HB SER 32 3.946 5.091 -5.290
204 HG SER 32 HG SER 32 2.481 3.155 -6.694
205 H ARG 33 H ARG 33 3.890 0.571 -4.085
206 HA ARG 33 HA ARG 33 1.013 0.027 -3.737
207 HB2 ARG 33 2HB ARG 33 1.060 -1.859 -5.303
208 HB3 ARG 33 1HB ARG 33 1.508 -0.372 -6.136
209 HG2 ARG 33 2HG ARG 33 3.920 -1.041 -5.905
210 HG3 ARG 33 1HG ARG 33 3.385 -2.586 -5.242
211 HD2 ARG 33 2HD ARG 33 3.943 -2.736 -7.651
212 HD3 ARG 33 1HD ARG 33 2.251 -3.126 -7.340
213 HE ARG 33 HE ARG 33 1.757 -0.767 -8.033
214 HH11 ARG 33 1HH1 ARG 33 4.603 -2.369 -9.285
215 HH12 ARG 33 2HH1 ARG 33 4.642 -1.406 -10.726
216 HH21 ARG 33 1HH2 ARG 33 1.826 0.488 -9.894
217 HH22 ARG 33 2HH2 ARG 33 3.069 0.219 -11.074
218 H CYS 34 H CYS 34 0.544 -1.873 -2.633
219 HA CYS 34 HA CYS 34 2.456 -2.661 -0.624
220 HB2 CYS 34 2HB CYS 34 -0.297 -3.838 -1.157
221 HB3 CYS 34 1HB CYS 34 0.591 -3.825 0.363
222 H GLU 35 H GLU 35 3.818 -4.359 -0.783
223 HA GLU 35 HA GLU 35 3.181 -6.716 -2.419
224 HB2 GLU 35 2HB GLU 35 5.788 -5.139 -2.605
225 HB3 GLU 35 1HB GLU 35 5.561 -6.745 -3.289
226 HG2 GLU 35 2HG GLU 35 3.832 -5.870 -4.797
227 HG3 GLU 35 1HG GLU 35 4.026 -4.256 -4.110
228 H ASN 36 H ASN 36 5.005 -8.433 -1.991
229 HA ASN 36 HA ASN 36 5.137 -8.958 0.818
230 HB2 ASN 36 2HB ASN 36 6.441 -10.976 0.185
231 HB3 ASN 36 1HB ASN 36 4.996 -10.813 -0.803
232 HD21 ASN 36 1HD2 ASN 36 8.490 -10.678 -0.787
233 HD22 ASN 36 2HD2 ASN 36 8.697 -10.690 -2.503
234 HA PRO 37 HA PRO 37 9.016 -6.820 1.846
235 HB2 PRO 37 2HB PRO 37 9.862 -8.542 3.906
236 HB3 PRO 37 1HB PRO 37 8.709 -7.209 4.109
237 HG2 PRO 37 2HG PRO 37 8.163 -10.131 3.723
238 HG3 PRO 37 1HG PRO 37 7.377 -8.972 4.821
239 HD2 PRO 37 2HD PRO 37 6.190 -9.713 2.527
240 HD3 PRO 37 1HD PRO 37 6.069 -8.036 3.110
Start of MODEL 14
1 H1 ASP 1 1H ASP 1 -6.775 -3.313 -8.416
2 H2 ASP 1 2H ASP 1 -6.046 -2.997 -9.909
3 H3 ASP 1 3H ASP 1 -7.580 -3.707 -9.853
4 HA ASP 1 HA ASP 1 -6.937 -1.006 -8.838
5 HB2 ASP 1 2HB ASP 1 -8.057 -0.100 -10.835
6 HB3 ASP 1 1HB ASP 1 -6.680 -1.088 -11.299
7 H GLY 2 H GLY 2 -8.974 0.296 -8.565
8 HA2 GLY 2 2HA GLY 2 -11.191 0.551 -7.875
9 HA3 GLY 2 1HA GLY 2 -11.438 -1.187 -7.970
10 H GLU 3 H GLU 3 -9.051 -1.751 -6.371
11 HA GLU 3 HA GLU 3 -9.911 -0.999 -3.647
12 HB2 GLU 3 2HB GLU 3 -8.905 -3.189 -2.967
13 HB3 GLU 3 1HB GLU 3 -10.230 -3.387 -4.110
14 HG2 GLU 3 2HG GLU 3 -8.498 -3.595 -5.941
15 HG3 GLU 3 1HG GLU 3 -7.263 -3.606 -4.689
16 H CYS 4 H CYS 4 -7.847 -1.321 -2.087
17 HA CYS 4 HA CYS 4 -5.311 -0.581 -3.362
18 HB2 CYS 4 2HB CYS 4 -4.982 1.452 -2.014
19 HB3 CYS 4 1HB CYS 4 -6.415 1.618 -3.020
20 H GLY 5 H GLY 5 -3.555 -1.214 -2.192
21 HA2 GLY 5 2HA GLY 5 -2.296 -1.406 -0.228
22 HA3 GLY 5 1HA GLY 5 -3.761 -1.554 0.719
23 H ASP 6 H ASP 6 -3.420 -3.573 -2.092
24 HA ASP 6 HA ASP 6 -2.937 -5.943 -0.370
25 HB2 ASP 6 2HB ASP 6 -4.404 -5.772 -3.055
26 HB3 ASP 6 1HB ASP 6 -4.140 -7.245 -2.122
27 H LYS 7 H LYS 7 -2.125 -7.836 -1.875
28 HA LYS 7 HA LYS 7 0.529 -7.310 -2.650
29 HB2 LYS 7 2HB LYS 7 -0.114 -9.512 -1.891
30 HB3 LYS 7 1HB LYS 7 -1.312 -9.681 -3.163
31 HG2 LYS 7 2HG LYS 7 0.721 -11.066 -3.520
32 HG3 LYS 7 1HG LYS 7 0.379 -9.956 -4.849
33 HD2 LYS 7 2HD LYS 7 2.152 -8.429 -4.074
34 HD3 LYS 7 1HD LYS 7 2.466 -9.465 -2.674
35 HE2 LYS 7 2HE LYS 7 3.436 -11.156 -4.004
36 HE3 LYS 7 1HE LYS 7 2.681 -10.571 -5.484
37 HZ1 LYS 7 3HZ LYS 7 4.827 -9.166 -4.017
38 HZ2 LYS 7 1HZ LYS 7 4.126 -8.678 -5.476
39 HZ3 LYS 7 2HZ LYS 7 5.039 -10.103 -5.402
40 H ASP 8 H ASP 8 1.364 -6.492 -4.449
41 HA ASP 8 HA ASP 8 1.653 -5.514 -6.458
42 HB2 ASP 8 2HB ASP 8 -0.310 -7.572 -7.556
43 HB3 ASP 8 1HB ASP 8 0.896 -6.683 -8.478
44 H GLU 9 H GLU 9 -0.500 -4.560 -4.719
45 HA GLU 9 HA GLU 9 -2.288 -3.245 -6.693
46 HB2 GLU 9 2HB GLU 9 -3.468 -4.955 -5.295
47 HB3 GLU 9 1HB GLU 9 -2.989 -4.089 -3.847
48 HG2 GLU 9 2HG GLU 9 -5.291 -3.595 -4.329
49 HG3 GLU 9 1HG GLU 9 -4.335 -2.135 -4.594
50 HA PRO 10 HA PRO 10 -0.255 0.571 -5.303
51 HB2 PRO 10 2HB PRO 10 -2.505 2.218 -5.921
52 HB3 PRO 10 1HB PRO 10 -1.165 1.818 -7.016
53 HG2 PRO 10 2HG PRO 10 -3.845 0.483 -6.737
54 HG3 PRO 10 1HG PRO 10 -2.940 0.899 -8.211
55 HD2 PRO 10 2HD PRO 10 -2.935 -1.603 -7.393
56 HD3 PRO 10 1HD PRO 10 -1.387 -0.883 -7.905
57 H CYS 11 H CYS 11 -0.047 1.217 -3.262
58 HA CYS 11 HA CYS 11 -2.102 0.774 -1.274
59 HB2 CYS 11 2HB CYS 11 -0.447 1.550 0.342
60 HB3 CYS 11 1HB CYS 11 0.355 0.468 -0.788
61 H CYS 12 H CYS 12 -3.516 2.270 -0.530
62 HA CYS 12 HA CYS 12 -3.640 4.958 -1.654
63 HB2 CYS 12 2HB CYS 12 -5.751 4.992 -0.044
64 HB3 CYS 12 1HB CYS 12 -5.788 4.012 -1.505
65 H GLY 13 H GLY 13 -3.673 6.904 -0.260
66 HA2 GLY 13 2HA GLY 13 -1.715 6.658 1.948
67 HA3 GLY 13 1HA GLY 13 -2.007 8.091 0.982
68 H ARG 14 H ARG 14 -2.274 7.110 3.982
69 HA ARG 14 HA ARG 14 -4.859 7.808 4.913
70 HB2 ARG 14 2HB ARG 14 -2.144 7.780 6.309
71 HB3 ARG 14 1HB ARG 14 -3.655 8.068 7.163
72 HG2 ARG 14 2HG ARG 14 -2.972 5.521 5.658
73 HG3 ARG 14 1HG ARG 14 -2.782 5.747 7.397
74 HD2 ARG 14 2HD ARG 14 -5.220 6.107 7.602
75 HD3 ARG 14 1HD ARG 14 -5.399 5.854 5.859
76 HE ARG 14 HE ARG 14 -4.060 3.684 7.204
77 HH11 ARG 14 1HH1 ARG 14 -7.263 4.905 6.393
78 HH12 ARG 14 2HH1 ARG 14 -8.005 3.341 6.512
79 HH21 ARG 14 1HH2 ARG 14 -5.065 1.654 7.289
80 HH22 ARG 14 2HH2 ARG 14 -6.767 1.519 7.010
81 HA PRO 15 HA PRO 15 -4.828 12.352 5.038
82 HB2 PRO 15 2HB PRO 15 -5.740 12.078 7.910
83 HB3 PRO 15 1HB PRO 15 -6.472 12.997 6.575
84 HG2 PRO 15 2HG PRO 15 -7.589 10.736 7.380
85 HG3 PRO 15 1HG PRO 15 -7.482 11.112 5.643
86 HD2 PRO 15 2HD PRO 15 -5.781 9.228 7.271
87 HD3 PRO 15 1HD PRO 15 -6.450 9.022 5.633
88 H ASP 16 H ASP 16 -3.478 10.586 7.790
89 HA ASP 16 HA ASP 16 -1.722 12.684 8.698
90 HB2 ASP 16 2HB ASP 16 -0.783 10.886 10.192
91 HB3 ASP 16 1HB ASP 16 -2.521 11.117 10.349
92 H GLY 17 H GLY 17 -1.432 9.936 6.497
93 HA2 GLY 17 2HA GLY 17 0.078 10.394 4.602
94 HA3 GLY 17 1HA GLY 17 1.293 10.878 5.767
95 H ALA 18 H ALA 18 -0.218 8.174 7.052
96 HA ALA 18 HA ALA 18 1.974 6.413 6.423
97 HB1 ALA 18 3HB ALA 18 -0.687 5.771 7.755
98 HB2 ALA 18 1HB ALA 18 0.791 6.263 8.582
99 HB3 ALA 18 2HB ALA 18 0.734 4.722 7.727
100 H LYS 19 H LYS 19 1.939 4.526 5.107
101 HA LYS 19 HA LYS 19 0.128 4.651 2.811
102 HB2 LYS 19 2HB LYS 19 2.505 2.803 3.330
103 HB3 LYS 19 1HB LYS 19 1.610 2.939 1.818
104 HG2 LYS 19 2HG LYS 19 3.289 5.133 3.087
105 HG3 LYS 19 1HG LYS 19 3.770 4.120 1.732
106 HD2 LYS 19 2HD LYS 19 3.075 5.961 0.532
107 HD3 LYS 19 1HD LYS 19 1.516 5.150 0.647
108 HE2 LYS 19 2HE LYS 19 0.925 6.609 2.577
109 HE3 LYS 19 1HE LYS 19 2.494 7.398 2.456
110 HZ1 LYS 19 3HZ LYS 19 0.781 8.694 1.403
111 HZ2 LYS 19 1HZ LYS 19 0.379 7.411 0.383
112 HZ3 LYS 19 2HZ LYS 19 1.884 8.157 0.244
113 H VAL 20 H VAL 20 -1.615 3.427 2.648
114 HA VAL 20 HA VAL 20 -2.388 1.578 4.725
115 HB VAL 20 HB VAL 20 -3.934 2.220 2.164
116 HG11 VAL 20 1HG1 VAL 20 -4.923 1.146 4.848
117 HG12 VAL 20 2HG1 VAL 20 -4.754 0.213 3.360
118 HG13 VAL 20 3HG1 VAL 20 -5.934 1.519 3.449
119 HG21 VAL 20 3HG2 VAL 20 -5.169 3.924 3.457
120 HG22 VAL 20 1HG2 VAL 20 -3.455 4.321 3.348
121 HG23 VAL 20 2HG2 VAL 20 -4.111 3.654 4.843
122 H CYS 21 H CYS 21 -1.435 -0.362 4.621
123 HA CYS 21 HA CYS 21 -2.133 -2.071 2.328
124 HB2 CYS 21 2HB CYS 21 0.519 -2.224 3.835
125 HB3 CYS 21 1HB CYS 21 -0.009 -3.313 2.558
126 H ASN 22 H ASN 22 -2.990 -4.045 2.991
127 HA ASN 22 HA ASN 22 -3.636 -4.363 5.792
128 HB2 ASN 22 2HB ASN 22 -4.943 -6.313 5.119
129 HB3 ASN 22 1HB ASN 22 -5.296 -4.978 4.038
130 HD21 ASN 22 1HD2 ASN 22 -4.440 -5.063 1.865
131 HD22 ASN 22 2HD2 ASN 22 -4.039 -6.588 1.144
132 H ASP 23 H ASP 23 -2.942 -6.135 7.107
133 HA ASP 23 HA ASP 23 -0.135 -6.495 6.970
134 HB2 ASP 23 2HB ASP 23 -0.348 -7.712 9.079
135 HB3 ASP 23 1HB ASP 23 -1.398 -6.304 9.113
136 HA PRO 24 HA PRO 24 1.510 -7.563 7.321
137 HB2 PRO 24 2HB PRO 24 3.552 -9.232 6.807
138 HB3 PRO 24 1HB PRO 24 2.293 -9.692 7.974
139 HG2 PRO 24 2HG PRO 24 2.754 -10.706 5.211
140 HG3 PRO 24 1HG PRO 24 2.013 -11.519 6.607
141 HD2 PRO 24 2HD PRO 24 0.667 -10.149 4.430
142 HD3 PRO 24 1HD PRO 24 -0.070 -10.983 5.815
143 H TRP 25 H TRP 25 0.544 -7.417 4.295
144 HA TRP 25 HA TRP 25 2.861 -7.122 2.660
145 HB2 TRP 25 2HB TRP 25 0.169 -5.773 2.155
146 HB3 TRP 25 1HB TRP 25 1.374 -6.233 0.959
147 HD1 TRP 25 HD1 TRP 25 -1.695 -7.471 2.673
148 HE1 TRP 25 HE1 TRP 25 -2.236 -9.868 1.965
149 HE3 TRP 25 HE3 TRP 25 2.678 -8.620 0.296
150 HZ2 TRP 25 HZ2 TRP 25 -0.991 -11.987 0.604
151 HZ3 TRP 25 HZ3 TRP 25 2.926 -10.867 -0.683
152 HH2 TRP 25 HH2 TRP 25 1.125 -12.519 -0.533
153 H VAL 26 H VAL 26 4.044 -5.263 2.102
154 HA VAL 26 HA VAL 26 3.504 -2.738 3.541
155 HB VAL 26 HB VAL 26 6.000 -2.361 3.650
156 HG11 VAL 26 1HG1 VAL 26 5.047 -4.861 5.100
157 HG12 VAL 26 2HG1 VAL 26 4.808 -3.196 5.634
158 HG13 VAL 26 3HG1 VAL 26 6.437 -3.869 5.559
159 HG21 VAL 26 3HG2 VAL 26 7.557 -4.266 3.325
160 HG22 VAL 26 1HG2 VAL 26 6.719 -3.874 1.821
161 HG23 VAL 26 2HG2 VAL 26 6.222 -5.278 2.769
162 H CYS 27 H CYS 27 3.613 -0.876 2.357
163 HA CYS 27 HA CYS 27 3.649 -1.091 -0.527
164 HB2 CYS 27 2HB CYS 27 2.002 0.374 0.625
165 HB3 CYS 27 1HB CYS 27 3.318 1.401 1.184
166 H ILE 28 H ILE 28 5.543 -1.172 -1.519
167 HA ILE 28 HA ILE 28 7.899 0.322 -0.719
168 HB ILE 28 HB ILE 28 7.237 -1.398 -3.169
169 HG12 ILE 28 2HG1 ILE 28 9.198 -2.775 -2.360
170 HG13 ILE 28 1HG1 ILE 28 9.374 -1.687 -0.985
171 HG21 ILE 28 1HG2 ILE 28 8.569 0.445 -4.069
172 HG22 ILE 28 2HG2 ILE 28 9.542 -1.023 -4.045
173 HG23 ILE 28 3HG2 ILE 28 9.797 0.223 -2.819
174 HD11 ILE 28 3HD1 ILE 28 8.290 -3.782 -0.395
175 HD12 ILE 28 1HD1 ILE 28 6.983 -3.450 -1.531
176 HD13 ILE 28 2HD1 ILE 28 7.221 -2.408 -0.124
177 H LEU 29 H LEU 29 8.170 2.432 -1.164
178 HA LEU 29 HA LEU 29 6.061 3.991 -2.222
179 HB2 LEU 29 2HB LEU 29 8.903 4.730 -1.447
180 HB3 LEU 29 1HB LEU 29 7.752 5.923 -2.015
181 HG LEU 29 HG LEU 29 7.861 6.066 0.381
182 HD11 LEU 29 1HD1 LEU 29 5.660 6.414 -0.590
183 HD12 LEU 29 2HD1 LEU 29 5.542 5.737 1.031
184 HD13 LEU 29 3HD1 LEU 29 5.272 4.703 -0.375
185 HD21 LEU 29 3HD2 LEU 29 7.356 4.233 1.912
186 HD22 LEU 29 1HD2 LEU 29 8.744 3.835 0.901
187 HD23 LEU 29 2HD2 LEU 29 7.168 3.117 0.555
188 H THR 30 H THR 30 9.107 2.900 -3.619
189 HA THR 30 HA THR 30 9.265 4.561 -5.884
190 HB THR 30 HB THR 30 10.276 1.690 -5.665
191 HG1 THR 30 HG1 THR 30 12.019 3.747 -5.045
192 HG21 THR 30 3HG2 THR 30 12.093 2.450 -7.147
193 HG22 THR 30 1HG2 THR 30 11.383 4.068 -7.215
194 HG23 THR 30 2HG2 THR 30 10.530 2.696 -7.924
195 H SER 31 H SER 31 7.743 1.374 -5.422
196 HA SER 31 HA SER 31 6.609 1.376 -8.133
197 HB2 SER 31 2HB SER 31 5.851 -0.927 -7.527
198 HB3 SER 31 1HB SER 31 7.589 -0.724 -7.299
199 HG SER 31 HG SER 31 6.556 -1.781 -5.535
200 H SER 32 H SER 32 5.778 2.425 -5.041
201 HA SER 32 HA SER 32 3.982 3.159 -3.938
202 HB2 SER 32 2HB SER 32 2.297 4.435 -5.238
203 HB3 SER 32 1HB SER 32 3.935 4.778 -5.783
204 HG SER 32 HG SER 32 2.648 2.724 -7.115
205 H ARG 33 H ARG 33 4.014 0.300 -4.382
206 HA ARG 33 HA ARG 33 1.163 -0.339 -4.009
207 HB2 ARG 33 2HB ARG 33 1.213 -2.211 -5.588
208 HB3 ARG 33 1HB ARG 33 1.651 -0.724 -6.421
209 HG2 ARG 33 2HG ARG 33 4.120 -1.504 -5.954
210 HG3 ARG 33 1HG ARG 33 3.388 -3.094 -5.728
211 HD2 ARG 33 2HD ARG 33 3.158 -1.363 -8.214
212 HD3 ARG 33 1HD ARG 33 4.235 -2.747 -8.027
213 HE ARG 33 HE ARG 33 1.621 -3.626 -7.555
214 HH11 ARG 33 1HH1 ARG 33 3.518 -2.386 -10.231
215 HH12 ARG 33 2HH1 ARG 33 2.608 -3.237 -11.433
216 HH21 ARG 33 1HH2 ARG 33 0.460 -4.774 -9.192
217 HH22 ARG 33 2HH2 ARG 33 0.903 -4.566 -10.849
218 H CYS 34 H CYS 34 0.793 -2.307 -2.859
219 HA CYS 34 HA CYS 34 2.839 -2.754 -0.847
220 HB2 CYS 34 2HB CYS 34 0.072 -4.013 -0.982
221 HB3 CYS 34 1HB CYS 34 1.109 -3.843 0.432
222 H GLU 35 H GLU 35 4.340 -4.224 -1.147
223 HA GLU 35 HA GLU 35 3.819 -6.789 -2.517
224 HB2 GLU 35 2HB GLU 35 6.474 -5.479 -1.743
225 HB3 GLU 35 1HB GLU 35 6.289 -6.986 -2.642
226 HG2 GLU 35 2HG GLU 35 5.422 -4.233 -3.586
227 HG3 GLU 35 1HG GLU 35 6.856 -5.107 -4.123
228 H ASN 36 H ASN 36 5.710 -8.402 -1.282
229 HA ASN 36 HA ASN 36 4.402 -9.079 1.175
230 HB2 ASN 36 2HB ASN 36 5.799 -11.026 1.216
231 HB3 ASN 36 1HB ASN 36 5.426 -10.735 -0.478
232 HD21 ASN 36 1HD2 ASN 36 7.905 -10.831 1.948
233 HD22 ASN 36 2HD2 ASN 36 9.253 -10.709 0.873
234 HA PRO 37 HA PRO 37 6.917 -6.903 4.230
235 HB2 PRO 37 2HB PRO 37 7.325 -8.889 6.160
236 HB3 PRO 37 1HB PRO 37 5.830 -7.944 5.995
237 HG2 PRO 37 2HG PRO 37 6.452 -10.691 4.958
238 HG3 PRO 37 1HG PRO 37 4.979 -10.098 5.761
239 HD2 PRO 37 2HD PRO 37 5.060 -10.397 3.092
240 HD3 PRO 37 1HD PRO 37 4.198 -9.018 3.819
Start of MODEL 15
1 H1 ASP 1 1H ASP 1 -5.931 -3.586 -10.619
2 H2 ASP 1 2H ASP 1 -5.577 -5.198 -10.242
3 H3 ASP 1 3H ASP 1 -5.826 -4.073 -9.009
4 HA ASP 1 HA ASP 1 -7.838 -4.987 -10.961
5 HB2 ASP 1 2HB ASP 1 -7.227 -6.689 -9.229
6 HB3 ASP 1 1HB ASP 1 -7.631 -5.533 -7.967
7 H GLY 2 H GLY 2 -6.998 -2.820 -8.292
8 HA2 GLY 2 2HA GLY 2 -7.989 -0.547 -8.459
9 HA3 GLY 2 1HA GLY 2 -9.552 -1.320 -8.670
10 H GLU 3 H GLU 3 -8.076 -3.248 -6.481
11 HA GLU 3 HA GLU 3 -9.299 -1.910 -4.175
12 HB2 GLU 3 2HB GLU 3 -8.823 -4.028 -2.964
13 HB3 GLU 3 1HB GLU 3 -9.748 -4.295 -4.433
14 HG2 GLU 3 2HG GLU 3 -7.515 -4.896 -5.551
15 HG3 GLU 3 1HG GLU 3 -6.837 -4.937 -3.922
16 H CYS 4 H CYS 4 -8.119 -1.109 -2.380
17 HA CYS 4 HA CYS 4 -5.314 -0.478 -3.044
18 HB2 CYS 4 2HB CYS 4 -5.481 1.448 -1.676
19 HB3 CYS 4 1HB CYS 4 -7.016 1.375 -2.530
20 H GLY 5 H GLY 5 -3.631 -1.156 -1.838
21 HA2 GLY 5 2HA GLY 5 -2.516 -1.530 0.191
22 HA3 GLY 5 1HA GLY 5 -4.033 -1.897 0.977
23 H ASP 6 H ASP 6 -3.955 -3.652 -1.851
24 HA ASP 6 HA ASP 6 -3.094 -6.100 -0.453
25 HB2 ASP 6 2HB ASP 6 -4.735 -5.676 -2.986
26 HB3 ASP 6 1HB ASP 6 -4.227 -7.268 -2.422
27 H LYS 7 H LYS 7 -2.260 -7.783 -2.314
28 HA LYS 7 HA LYS 7 0.456 -7.042 -2.609
29 HB2 LYS 7 2HB LYS 7 -0.605 -9.396 -2.233
30 HB3 LYS 7 1HB LYS 7 -0.816 -9.451 -3.973
31 HG2 LYS 7 2HG LYS 7 1.891 -8.978 -2.699
32 HG3 LYS 7 1HG LYS 7 1.251 -10.602 -2.950
33 HD2 LYS 7 2HD LYS 7 1.133 -10.181 -5.385
34 HD3 LYS 7 1HD LYS 7 1.753 -8.546 -5.134
35 HE2 LYS 7 2HE LYS 7 3.864 -9.459 -4.278
36 HE3 LYS 7 1HE LYS 7 3.246 -11.103 -4.458
37 HZ1 LYS 7 3HZ LYS 7 3.622 -9.183 -6.687
38 HZ2 LYS 7 1HZ LYS 7 3.135 -10.792 -6.822
39 HZ3 LYS 7 2HZ LYS 7 4.695 -10.425 -6.291
40 H ASP 8 H ASP 8 1.442 -6.000 -4.204
41 HA ASP 8 HA ASP 8 1.868 -4.760 -6.028
42 HB2 ASP 8 2HB ASP 8 0.326 -6.964 -7.442
43 HB3 ASP 8 1HB ASP 8 1.230 -5.715 -8.290
44 H GLU 9 H GLU 9 -0.770 -4.382 -4.550
45 HA GLU 9 HA GLU 9 -2.336 -2.931 -6.603
46 HB2 GLU 9 2HB GLU 9 -3.100 -4.081 -3.890
47 HB3 GLU 9 1HB GLU 9 -4.142 -2.967 -4.760
48 HG2 GLU 9 2HG GLU 9 -3.236 -5.671 -5.790
49 HG3 GLU 9 1HG GLU 9 -4.797 -5.333 -5.044
50 HA PRO 10 HA PRO 10 -0.775 0.930 -5.086
51 HB2 PRO 10 2HB PRO 10 -3.041 2.546 -5.439
52 HB3 PRO 10 1HB PRO 10 -1.916 2.096 -6.731
53 HG2 PRO 10 2HG PRO 10 -4.548 0.853 -6.014
54 HG3 PRO 10 1HG PRO 10 -3.884 1.232 -7.622
55 HD2 PRO 10 2HD PRO 10 -3.833 -1.276 -6.702
56 HD3 PRO 10 1HD PRO 10 -2.450 -0.629 -7.617
57 H CYS 11 H CYS 11 -0.419 1.462 -3.002
58 HA CYS 11 HA CYS 11 -2.243 0.693 -0.907
59 HB2 CYS 11 2HB CYS 11 -0.492 1.579 0.613
60 HB3 CYS 11 1HB CYS 11 0.190 0.502 -0.597
61 H CYS 12 H CYS 12 -3.736 1.963 0.121
62 HA CYS 12 HA CYS 12 -4.281 4.601 -0.945
63 HB2 CYS 12 2HB CYS 12 -6.219 4.333 0.930
64 HB3 CYS 12 1HB CYS 12 -6.330 3.587 -0.656
65 H GLY 13 H GLY 13 -3.591 6.449 -0.104
66 HA2 GLY 13 2HA GLY 13 -1.835 6.326 2.238
67 HA3 GLY 13 1HA GLY 13 -1.892 7.581 1.015
68 H ARG 14 H ARG 14 -2.508 6.981 4.157
69 HA ARG 14 HA ARG 14 -4.638 8.662 4.833
70 HB2 ARG 14 2HB ARG 14 -2.071 7.805 6.182
71 HB3 ARG 14 1HB ARG 14 -3.013 9.088 6.924
72 HG2 ARG 14 2HG ARG 14 -4.062 6.302 6.335
73 HG3 ARG 14 1HG ARG 14 -3.453 6.857 7.897
74 HD2 ARG 14 2HD ARG 14 -5.270 8.750 7.638
75 HD3 ARG 14 1HD ARG 14 -5.987 7.651 6.460
76 HE ARG 14 HE ARG 14 -6.514 6.153 8.165
77 HH11 ARG 14 1HH1 ARG 14 -4.789 8.929 9.492
78 HH12 ARG 14 2HH1 ARG 14 -5.232 8.566 11.129
79 HH21 ARG 14 1HH2 ARG 14 -7.071 5.698 10.327
80 HH22 ARG 14 2HH2 ARG 14 -6.524 6.737 11.599
81 HA PRO 15 HA PRO 15 -3.073 12.777 3.673
82 HB2 PRO 15 2HB PRO 15 -4.428 14.318 5.559
83 HB3 PRO 15 1HB PRO 15 -5.165 13.695 4.071
84 HG2 PRO 15 2HG PRO 15 -5.299 12.563 6.845
85 HG3 PRO 15 1HG PRO 15 -6.595 12.752 5.643
86 HD2 PRO 15 2HD PRO 15 -5.421 10.364 6.041
87 HD3 PRO 15 1HD PRO 15 -5.920 10.876 4.411
88 H ASP 16 H ASP 16 -2.691 11.399 6.859
89 HA ASP 16 HA ASP 16 -0.675 13.305 7.758
90 HB2 ASP 16 2HB ASP 16 -0.463 11.750 9.734
91 HB3 ASP 16 1HB ASP 16 -2.091 12.356 9.468
92 H GLY 17 H GLY 17 -0.656 10.647 5.669
93 HA2 GLY 17 2HA GLY 17 1.286 10.403 4.284
94 HA3 GLY 17 1HA GLY 17 2.315 10.631 5.686
95 H ALA 18 H ALA 18 -0.042 8.604 6.791
96 HA ALA 18 HA ALA 18 1.745 6.348 6.802
97 HB1 ALA 18 3HB ALA 18 0.279 6.858 8.725
98 HB2 ALA 18 1HB ALA 18 -0.007 5.225 8.114
99 HB3 ALA 18 2HB ALA 18 -1.142 6.524 7.738
100 H LYS 19 H LYS 19 1.608 4.445 5.645
101 HA LYS 19 HA LYS 19 -0.135 4.417 3.271
102 HB2 LYS 19 2HB LYS 19 2.337 2.788 3.976
103 HB3 LYS 19 1HB LYS 19 1.435 2.613 2.477
104 HG2 LYS 19 2HG LYS 19 2.747 5.221 3.312
105 HG3 LYS 19 1HG LYS 19 3.586 3.978 2.388
106 HD2 LYS 19 2HD LYS 19 2.862 5.481 0.746
107 HD3 LYS 19 1HD LYS 19 1.660 4.200 0.673
108 HE2 LYS 19 2HE LYS 19 0.621 6.406 0.493
109 HE3 LYS 19 1HE LYS 19 0.106 5.609 1.981
110 HZ1 LYS 19 3HZ LYS 19 0.612 7.839 2.515
111 HZ2 LYS 19 1HZ LYS 19 2.081 7.802 1.683
112 HZ3 LYS 19 2HZ LYS 19 1.902 6.931 3.117
113 H VAL 20 H VAL 20 -1.963 3.300 3.367
114 HA VAL 20 HA VAL 20 -2.422 1.311 5.448
115 HB VAL 20 HB VAL 20 -4.363 2.423 3.369
116 HG11 VAL 20 1HG1 VAL 20 -4.920 0.741 5.844
117 HG12 VAL 20 2HG1 VAL 20 -5.059 0.197 4.171
118 HG13 VAL 20 3HG1 VAL 20 -6.146 1.445 4.783
119 HG21 VAL 20 3HG2 VAL 20 -3.573 4.176 4.913
120 HG22 VAL 20 1HG2 VAL 20 -4.021 3.176 6.297
121 HG23 VAL 20 2HG2 VAL 20 -5.271 3.797 5.215
122 H CYS 21 H CYS 21 -1.605 -0.586 4.996
123 HA CYS 21 HA CYS 21 -2.424 -2.025 2.552
124 HB2 CYS 21 2HB CYS 21 0.193 -2.367 4.075
125 HB3 CYS 21 1HB CYS 21 -0.314 -3.306 2.674
126 H ASN 22 H ASN 22 -3.129 -4.170 2.939
127 HA ASN 22 HA ASN 22 -3.758 -4.874 5.704
128 HB2 ASN 22 2HB ASN 22 -5.083 -6.651 4.844
129 HB3 ASN 22 1HB ASN 22 -5.341 -5.322 3.729
130 HD21 ASN 22 1HD2 ASN 22 -4.407 -5.463 1.620
131 HD22 ASN 22 2HD2 ASN 22 -3.963 -7.000 0.957
132 H ASP 23 H ASP 23 -2.979 -6.815 6.717
133 HA ASP 23 HA ASP 23 -0.175 -7.206 6.382
134 HB2 ASP 23 2HB ASP 23 -0.368 -8.770 8.278
135 HB3 ASP 23 1HB ASP 23 -1.229 -7.271 8.601
136 HA PRO 24 HA PRO 24 1.445 -8.542 6.626
137 HB2 PRO 24 2HB PRO 24 3.401 -10.078 5.586
138 HB3 PRO 24 1HB PRO 24 2.200 -10.770 6.693
139 HG2 PRO 24 2HG PRO 24 2.432 -11.093 3.744
140 HG3 PRO 24 1HG PRO 24 1.796 -12.222 4.957
141 HD2 PRO 24 2HD PRO 24 0.281 -10.434 3.285
142 HD3 PRO 24 1HD PRO 24 -0.339 -11.498 4.567
143 H TRP 25 H TRP 25 0.363 -7.658 3.741
144 HA TRP 25 HA TRP 25 2.700 -7.085 2.172
145 HB2 TRP 25 2HB TRP 25 -0.045 -5.809 1.825
146 HB3 TRP 25 1HB TRP 25 1.187 -6.058 0.591
147 HD1 TRP 25 HD1 TRP 25 -2.025 -7.371 1.386
148 HE1 TRP 25 HE1 TRP 25 -2.341 -9.803 0.636
149 HE3 TRP 25 HE3 TRP 25 2.880 -8.654 0.635
150 HZ2 TRP 25 HZ2 TRP 25 -0.746 -11.978 -0.167
151 HZ3 TRP 25 HZ3 TRP 25 3.395 -10.940 -0.121
152 HH2 TRP 25 HH2 TRP 25 1.617 -12.569 -0.511
153 H VAL 26 H VAL 26 3.931 -5.292 2.140
154 HA VAL 26 HA VAL 26 3.175 -2.873 3.689
155 HB VAL 26 HB VAL 26 5.622 -2.457 3.993
156 HG11 VAL 26 1HG1 VAL 26 4.720 -5.161 5.054
157 HG12 VAL 26 2HG1 VAL 26 4.396 -3.585 5.785
158 HG13 VAL 26 3HG1 VAL 26 6.051 -4.193 5.702
159 HG21 VAL 26 3HG2 VAL 26 7.293 -4.235 3.513
160 HG22 VAL 26 1HG2 VAL 26 6.518 -3.659 2.036
161 HG23 VAL 26 2HG2 VAL 26 6.040 -5.207 2.736
162 H CYS 27 H CYS 27 3.426 -0.850 2.611
163 HA CYS 27 HA CYS 27 3.426 -1.021 -0.283
164 HB2 CYS 27 2HB CYS 27 1.812 0.464 0.874
165 HB3 CYS 27 1HB CYS 27 3.146 1.465 1.442
166 H ILE 28 H ILE 28 5.204 -0.973 -1.444
167 HA ILE 28 HA ILE 28 7.613 0.452 -0.644
168 HB ILE 28 HB ILE 28 6.910 -1.037 -3.225
169 HG12 ILE 28 2HG1 ILE 28 8.807 -2.591 -2.460
170 HG13 ILE 28 1HG1 ILE 28 8.767 -1.755 -0.912
171 HG21 ILE 28 1HG2 ILE 28 8.406 0.810 -3.814
172 HG22 ILE 28 2HG2 ILE 28 9.272 -0.723 -3.932
173 HG23 ILE 28 3HG2 ILE 28 9.538 0.334 -2.544
174 HD11 ILE 28 3HD1 ILE 28 7.579 -3.877 -0.848
175 HD12 ILE 28 1HD1 ILE 28 6.500 -3.330 -2.130
176 HD13 ILE 28 2HD1 ILE 28 6.478 -2.531 -0.557
177 H LEU 29 H LEU 29 7.852 2.596 -1.026
178 HA LEU 29 HA LEU 29 5.714 4.149 -2.067
179 HB2 LEU 29 2HB LEU 29 8.540 4.894 -1.245
180 HB3 LEU 29 1HB LEU 29 7.419 6.091 -1.863
181 HG LEU 29 HG LEU 29 7.413 6.269 0.529
182 HD11 LEU 29 1HD1 LEU 29 4.883 4.836 -0.308
183 HD12 LEU 29 2HD1 LEU 29 5.241 6.550 -0.540
184 HD13 LEU 29 3HD1 LEU 29 5.073 5.900 1.089
185 HD21 LEU 29 3HD2 LEU 29 6.883 4.444 2.072
186 HD22 LEU 29 1HD2 LEU 29 8.319 4.063 1.121
187 HD23 LEU 29 2HD2 LEU 29 6.774 3.308 0.724
188 H THR 30 H THR 30 8.837 3.210 -3.421
189 HA THR 30 HA THR 30 8.867 4.804 -5.732
190 HB THR 30 HB THR 30 10.130 2.050 -5.344
191 HG1 THR 30 HG1 THR 30 11.836 3.152 -4.454
192 HG21 THR 30 3HG2 THR 30 10.230 2.774 -7.715
193 HG22 THR 30 1HG2 THR 30 11.836 2.830 -6.975
194 HG23 THR 30 2HG2 THR 30 10.924 4.319 -7.221
195 H SER 31 H SER 31 7.278 1.712 -5.078
196 HA SER 31 HA SER 31 6.312 1.444 -7.851
197 HB2 SER 31 2HB SER 31 5.507 -0.763 -7.086
198 HB3 SER 31 1HB SER 31 7.214 -0.555 -6.678
199 HG SER 31 HG SER 31 6.072 -1.370 -4.903
200 H SER 32 H SER 32 5.366 2.739 -4.867
201 HA SER 32 HA SER 32 3.535 3.430 -3.810
202 HB2 SER 32 2HB SER 32 1.824 4.634 -5.189
203 HB3 SER 32 1HB SER 32 3.477 5.075 -5.599
204 HG SER 32 HG SER 32 2.363 3.015 -7.079
205 H ARG 33 H ARG 33 3.662 0.645 -4.041
206 HA ARG 33 HA ARG 33 0.836 -0.108 -3.784
207 HB2 ARG 33 2HB ARG 33 0.977 -1.993 -5.308
208 HB3 ARG 33 1HB ARG 33 1.435 -0.532 -6.172
209 HG2 ARG 33 2HG ARG 33 3.873 -1.216 -5.717
210 HG3 ARG 33 1HG ARG 33 3.232 -2.788 -5.238
211 HD2 ARG 33 2HD ARG 33 3.975 -2.778 -7.593
212 HD3 ARG 33 1HD ARG 33 2.237 -3.079 -7.465
213 HE ARG 33 HE ARG 33 3.351 -0.406 -8.084
214 HH11 ARG 33 1HH1 ARG 33 1.069 -2.987 -8.850
215 HH12 ARG 33 2HH1 ARG 33 0.278 -2.065 -10.090
216 HH21 ARG 33 1HH2 ARG 33 2.286 0.777 -9.667
217 HH22 ARG 33 2HH2 ARG 33 0.971 0.071 -10.554
218 H CYS 34 H CYS 34 0.482 -2.001 -2.550
219 HA CYS 34 HA CYS 34 2.555 -2.552 -0.598
220 HB2 CYS 34 2HB CYS 34 -0.226 -3.761 -0.751
221 HB3 CYS 34 1HB CYS 34 0.832 -3.669 0.659
222 H GLU 35 H GLU 35 4.041 -4.063 -0.985
223 HA GLU 35 HA GLU 35 3.296 -6.611 -2.326
224 HB2 GLU 35 2HB GLU 35 6.026 -5.238 -2.383
225 HB3 GLU 35 1HB GLU 35 5.574 -6.713 -3.235
226 HG2 GLU 35 2HG GLU 35 4.109 -5.504 -4.718
227 HG3 GLU 35 1HG GLU 35 4.283 -4.023 -3.772
228 H ASN 36 H ASN 36 5.153 -8.290 -1.711
229 HA ASN 36 HA ASN 36 4.971 -8.817 1.055
230 HB2 ASN 36 2HB ASN 36 6.593 -10.698 0.546
231 HB3 ASN 36 1HB ASN 36 5.170 -10.660 -0.483
232 HD21 ASN 36 1HD2 ASN 36 8.627 -10.285 -0.397
233 HD22 ASN 36 2HD2 ASN 36 8.853 -10.179 -2.104
234 HA PRO 37 HA PRO 37 8.374 -6.391 2.807
235 HB2 PRO 37 2HB PRO 37 8.559 -8.657 4.789
236 HB3 PRO 37 1HB PRO 37 8.355 -6.917 5.080
237 HG2 PRO 37 2HG PRO 37 6.298 -8.556 5.404
238 HG3 PRO 37 1HG PRO 37 6.062 -6.967 4.633
239 HD2 PRO 37 2HD PRO 37 6.270 -9.680 3.325
240 HD3 PRO 37 1HD PRO 37 5.145 -8.343 2.974
Start of MODEL 16
1 H1 ASP 1 1H ASP 1 -10.644 -5.670 -6.978
2 H2 ASP 1 2H ASP 1 -10.519 -6.480 -8.454
3 H3 ASP 1 3H ASP 1 -11.957 -5.704 -8.042
4 HA ASP 1 HA ASP 1 -9.363 -4.357 -8.458
5 HB2 ASP 1 2HB ASP 1 -11.788 -4.498 -10.306
6 HB3 ASP 1 1HB ASP 1 -10.385 -3.456 -10.562
7 H GLY 2 H GLY 2 -9.782 -1.961 -8.933
8 HA2 GLY 2 2HA GLY 2 -10.371 0.091 -8.096
9 HA3 GLY 2 1HA GLY 2 -11.963 -0.575 -7.745
10 H GLU 3 H GLU 3 -8.929 -1.798 -6.488
11 HA GLU 3 HA GLU 3 -9.794 -1.170 -3.714
12 HB2 GLU 3 2HB GLU 3 -8.798 -3.385 -3.091
13 HB3 GLU 3 1HB GLU 3 -10.164 -3.534 -4.189
14 HG2 GLU 3 2HG GLU 3 -8.497 -3.765 -6.083
15 HG3 GLU 3 1HG GLU 3 -7.223 -3.825 -4.865
16 H CYS 4 H CYS 4 -7.778 -1.605 -2.184
17 HA CYS 4 HA CYS 4 -5.227 -0.752 -3.298
18 HB2 CYS 4 2HB CYS 4 -5.042 1.306 -2.022
19 HB3 CYS 4 1HB CYS 4 -6.500 1.395 -3.001
20 H GLY 5 H GLY 5 -3.494 -1.077 -1.889
21 HA2 GLY 5 2HA GLY 5 -2.427 -1.432 0.152
22 HA3 GLY 5 1HA GLY 5 -3.972 -1.702 0.926
23 H ASP 6 H ASP 6 -3.843 -3.550 -1.843
24 HA ASP 6 HA ASP 6 -3.272 -6.004 -0.319
25 HB2 ASP 6 2HB ASP 6 -4.466 -5.706 -3.114
26 HB3 ASP 6 1HB ASP 6 -4.452 -7.163 -2.124
27 H LYS 7 H LYS 7 -2.350 -7.783 -1.939
28 HA LYS 7 HA LYS 7 0.374 -7.105 -2.384
29 HB2 LYS 7 2HB LYS 7 -0.862 -9.418 -1.788
30 HB3 LYS 7 1HB LYS 7 -0.822 -9.639 -3.527
31 HG2 LYS 7 2HG LYS 7 1.671 -9.069 -1.891
32 HG3 LYS 7 1HG LYS 7 1.060 -10.700 -2.160
33 HD2 LYS 7 2HD LYS 7 1.991 -8.749 -4.305
34 HD3 LYS 7 1HD LYS 7 2.877 -10.162 -3.723
35 HE2 LYS 7 2HE LYS 7 0.962 -11.593 -4.556
36 HE3 LYS 7 1HE LYS 7 0.270 -10.137 -5.278
37 HZ1 LYS 7 3HZ LYS 7 2.368 -9.902 -6.544
38 HZ2 LYS 7 1HZ LYS 7 1.498 -11.303 -6.919
39 HZ3 LYS 7 2HZ LYS 7 2.870 -11.397 -5.941
40 H ASP 8 H ASP 8 1.345 -6.334 -4.158
41 HA ASP 8 HA ASP 8 1.676 -5.212 -6.083
42 HB2 ASP 8 2HB ASP 8 -0.039 -7.470 -7.191
43 HB3 ASP 8 1HB ASP 8 0.797 -6.305 -8.214
44 H GLU 9 H GLU 9 -0.432 -4.237 -4.425
45 HA GLU 9 HA GLU 9 -2.174 -2.927 -6.442
46 HB2 GLU 9 2HB GLU 9 -3.316 -4.747 -5.036
47 HB3 GLU 9 1HB GLU 9 -3.073 -3.711 -3.640
48 HG2 GLU 9 2HG GLU 9 -5.333 -3.457 -4.444
49 HG3 GLU 9 1HG GLU 9 -4.450 -1.951 -4.726
50 HA PRO 10 HA PRO 10 -0.265 0.942 -5.028
51 HB2 PRO 10 2HB PRO 10 -2.816 2.321 -5.345
52 HB3 PRO 10 1HB PRO 10 -1.412 2.346 -6.428
53 HG2 PRO 10 2HG PRO 10 -3.856 0.649 -6.540
54 HG3 PRO 10 1HG PRO 10 -2.830 1.245 -7.866
55 HD2 PRO 10 2HD PRO 10 -2.718 -1.310 -7.170
56 HD3 PRO 10 1HD PRO 10 -1.206 -0.446 -7.538
57 H CYS 11 H CYS 11 0.146 1.423 -2.944
58 HA CYS 11 HA CYS 11 -1.713 0.792 -0.828
59 HB2 CYS 11 2HB CYS 11 0.061 1.537 0.689
60 HB3 CYS 11 1HB CYS 11 0.761 0.507 -0.550
61 H CYS 12 H CYS 12 -3.324 2.118 -0.247
62 HA CYS 12 HA CYS 12 -3.533 4.770 -1.392
63 HB2 CYS 12 2HB CYS 12 -5.857 4.632 -0.203
64 HB3 CYS 12 1HB CYS 12 -5.535 3.564 -1.560
65 H GLY 13 H GLY 13 -2.606 6.435 -0.418
66 HA2 GLY 13 2HA GLY 13 -1.736 6.342 2.330
67 HA3 GLY 13 1HA GLY 13 -1.434 7.612 1.159
68 H ARG 14 H ARG 14 -2.986 6.937 3.972
69 HA ARG 14 HA ARG 14 -5.305 8.516 3.976
70 HB2 ARG 14 2HB ARG 14 -3.311 8.073 6.241
71 HB3 ARG 14 1HB ARG 14 -4.945 8.691 6.442
72 HG2 ARG 14 2HG ARG 14 -5.844 6.508 5.673
73 HG3 ARG 14 1HG ARG 14 -4.192 5.905 5.505
74 HD2 ARG 14 2HD ARG 14 -3.847 6.373 7.952
75 HD3 ARG 14 1HD ARG 14 -5.562 6.771 8.073
76 HE ARG 14 HE ARG 14 -5.921 4.390 7.235
77 HH11 ARG 14 1HH1 ARG 14 -3.135 5.301 9.174
78 HH12 ARG 14 2HH1 ARG 14 -2.934 3.723 9.858
79 HH21 ARG 14 1HH2 ARG 14 -5.677 2.328 8.202
80 HH22 ARG 14 2HH2 ARG 14 -4.375 2.043 9.312
81 HA PRO 15 HA PRO 15 -4.077 12.812 3.653
82 HB2 PRO 15 2HB PRO 15 -5.605 13.264 6.226
83 HB3 PRO 15 1HB PRO 15 -5.717 14.134 4.677
84 HG2 PRO 15 2HG PRO 15 -7.595 12.391 5.299
85 HG3 PRO 15 1HG PRO 15 -6.942 12.425 3.642
86 HD2 PRO 15 2HD PRO 15 -6.348 10.479 5.861
87 HD3 PRO 15 1HD PRO 15 -6.580 10.177 4.127
88 H ASP 16 H ASP 16 -3.369 11.204 6.717
89 HA ASP 16 HA ASP 16 -1.653 13.332 7.733
90 HB2 ASP 16 2HB ASP 16 -1.298 11.943 9.665
91 HB3 ASP 16 1HB ASP 16 -3.000 11.835 9.244
92 H GLY 17 H GLY 17 -1.297 10.477 5.796
93 HA2 GLY 17 2HA GLY 17 0.738 10.437 4.384
94 HA3 GLY 17 1HA GLY 17 1.676 10.734 5.835
95 H ALA 18 H ALA 18 -0.843 8.638 6.581
96 HA ALA 18 HA ALA 18 0.954 6.423 6.970
97 HB1 ALA 18 3HB ALA 18 -0.841 6.935 8.566
98 HB2 ALA 18 1HB ALA 18 -1.004 5.290 7.934
99 HB3 ALA 18 2HB ALA 18 -2.050 6.578 7.334
100 H LYS 19 H LYS 19 1.435 4.874 5.513
101 HA LYS 19 HA LYS 19 -0.025 4.493 3.037
102 HB2 LYS 19 2HB LYS 19 2.350 2.982 4.214
103 HB3 LYS 19 1HB LYS 19 1.713 2.740 2.591
104 HG2 LYS 19 2HG LYS 19 2.885 5.360 3.585
105 HG3 LYS 19 1HG LYS 19 3.811 4.120 2.746
106 HD2 LYS 19 2HD LYS 19 3.314 5.602 1.025
107 HD3 LYS 19 1HD LYS 19 2.034 4.407 0.839
108 HE2 LYS 19 2HE LYS 19 1.165 6.681 0.587
109 HE3 LYS 19 1HE LYS 19 0.471 5.924 2.017
110 HZ1 LYS 19 3HZ LYS 19 2.048 7.145 3.391
111 HZ2 LYS 19 1HZ LYS 19 1.141 8.209 2.438
112 HZ3 LYS 19 2HZ LYS 19 2.737 7.847 2.017
113 H VAL 20 H VAL 20 -1.890 3.426 3.110
114 HA VAL 20 HA VAL 20 -2.510 1.405 5.083
115 HB VAL 20 HB VAL 20 -4.087 2.451 2.685
116 HG11 VAL 20 1HG1 VAL 20 -4.823 0.152 3.189
117 HG12 VAL 20 2HG1 VAL 20 -6.061 1.317 3.661
118 HG13 VAL 20 3HG1 VAL 20 -5.031 0.578 4.891
119 HG21 VAL 20 3HG2 VAL 20 -4.388 2.977 5.671
120 HG22 VAL 20 1HG2 VAL 20 -5.432 3.618 4.399
121 HG23 VAL 20 2HG2 VAL 20 -3.739 4.108 4.478
122 H CYS 21 H CYS 21 -1.582 -0.486 4.883
123 HA CYS 21 HA CYS 21 -2.091 -2.123 2.500
124 HB2 CYS 21 2HB CYS 21 0.562 -2.082 3.998
125 HB3 CYS 21 1HB CYS 21 0.129 -3.218 2.728
126 H ASN 22 H ASN 22 -2.945 -4.093 3.086
127 HA ASN 22 HA ASN 22 -3.292 -4.714 5.896
128 HB2 ASN 22 2HB ASN 22 -4.636 -6.598 5.181
129 HB3 ASN 22 1HB ASN 22 -5.130 -5.176 4.290
130 HD21 ASN 22 1HD2 ASN 22 -4.641 -5.059 2.030
131 HD22 ASN 22 2HD2 ASN 22 -4.280 -6.492 1.126
132 H ASP 23 H ASP 23 -1.991 -5.993 7.083
133 HA ASP 23 HA ASP 23 0.568 -6.752 6.145
134 HB2 ASP 23 2HB ASP 23 0.861 -7.798 8.402
135 HB3 ASP 23 1HB ASP 23 0.291 -6.134 8.472
136 HA PRO 24 HA PRO 24 2.197 -8.366 6.706
137 HB2 PRO 24 2HB PRO 24 3.790 -10.137 5.478
138 HB3 PRO 24 1HB PRO 24 2.735 -10.673 6.807
139 HG2 PRO 24 2HG PRO 24 2.334 -10.976 3.842
140 HG3 PRO 24 1HG PRO 24 2.052 -12.160 5.142
141 HD2 PRO 24 2HD PRO 24 0.072 -10.528 3.990
142 HD3 PRO 24 1HD PRO 24 -0.075 -11.360 5.555
143 H TRP 25 H TRP 25 0.664 -7.817 3.829
144 HA TRP 25 HA TRP 25 2.819 -7.350 1.996
145 HB2 TRP 25 2HB TRP 25 0.117 -5.952 1.838
146 HB3 TRP 25 1HB TRP 25 1.196 -6.372 0.516
147 HD1 TRP 25 HD1 TRP 25 -2.011 -7.181 1.088
148 HE1 TRP 25 HE1 TRP 25 -2.670 -9.627 0.724
149 HE3 TRP 25 HE3 TRP 25 2.634 -9.383 1.384
150 HZ2 TRP 25 HZ2 TRP 25 -1.448 -12.134 0.592
151 HZ3 TRP 25 HZ3 TRP 25 2.773 -11.828 1.124
152 HH2 TRP 25 HH2 TRP 25 0.770 -13.174 0.735
153 H VAL 26 H VAL 26 4.154 -5.625 1.848
154 HA VAL 26 HA VAL 26 3.687 -3.245 3.561
155 HB VAL 26 HB VAL 26 6.178 -2.982 3.616
156 HG11 VAL 26 1HG1 VAL 26 5.215 -5.707 4.568
157 HG12 VAL 26 2HG1 VAL 26 5.053 -4.182 5.443
158 HG13 VAL 26 3HG1 VAL 26 6.654 -4.861 5.151
159 HG21 VAL 26 3HG2 VAL 26 6.795 -4.114 1.502
160 HG22 VAL 26 1HG2 VAL 26 6.275 -5.669 2.164
161 HG23 VAL 26 2HG2 VAL 26 7.663 -4.828 2.860
162 H CYS 27 H CYS 27 3.786 -1.194 2.600
163 HA CYS 27 HA CYS 27 3.725 -1.090 -0.289
164 HB2 CYS 27 2HB CYS 27 2.284 0.443 1.012
165 HB3 CYS 27 1HB CYS 27 3.712 1.251 1.655
166 H ILE 28 H ILE 28 5.549 -1.277 -1.379
167 HA ILE 28 HA ILE 28 8.061 -0.071 -0.593
168 HB ILE 28 HB ILE 28 7.154 -1.412 -3.201
169 HG12 ILE 28 2HG1 ILE 28 9.005 -3.096 -2.549
170 HG13 ILE 28 1HG1 ILE 28 9.052 -2.301 -0.977
171 HG21 ILE 28 1HG2 ILE 28 9.906 -0.262 -2.613
172 HG22 ILE 28 2HG2 ILE 28 8.754 0.332 -3.811
173 HG23 ILE 28 3HG2 ILE 28 9.487 -1.257 -4.018
174 HD11 ILE 28 3HD1 ILE 28 7.757 -4.341 -0.927
175 HD12 ILE 28 1HD1 ILE 28 6.683 -3.719 -2.179
176 HD13 ILE 28 2HD1 ILE 28 6.735 -2.942 -0.592
177 H LEU 29 H LEU 29 8.309 2.076 -0.724
178 HA LEU 29 HA LEU 29 6.253 3.800 -1.617
179 HB2 LEU 29 2HB LEU 29 9.096 4.388 -0.732
180 HB3 LEU 29 1HB LEU 29 7.948 5.654 -1.116
181 HG LEU 29 HG LEU 29 8.059 5.452 1.269
182 HD11 LEU 29 1HD1 LEU 29 5.474 4.199 0.336
183 HD12 LEU 29 2HD1 LEU 29 5.859 5.922 0.352
184 HD13 LEU 29 3HD1 LEU 29 5.749 5.035 1.868
185 HD21 LEU 29 3HD2 LEU 29 7.392 2.505 1.016
186 HD22 LEU 29 1HD2 LEU 29 7.551 3.414 2.524
187 HD23 LEU 29 2HD2 LEU 29 8.953 3.186 1.481
188 H THR 30 H THR 30 9.216 2.709 -3.151
189 HA THR 30 HA THR 30 9.504 4.557 -5.246
190 HB THR 30 HB THR 30 10.116 1.564 -5.292
191 HG1 THR 30 HG1 THR 30 11.494 3.748 -4.156
192 HG21 THR 30 3HG2 THR 30 10.253 2.582 -7.541
193 HG22 THR 30 1HG2 THR 30 11.853 2.135 -6.954
194 HG23 THR 30 2HG2 THR 30 11.345 3.825 -6.919
195 H SER 31 H SER 31 7.804 1.411 -5.215
196 HA SER 31 HA SER 31 6.513 1.853 -7.788
197 HB2 SER 31 2HB SER 31 5.569 -0.438 -7.305
198 HB3 SER 31 1HB SER 31 7.331 -0.385 -7.227
199 HG SER 31 HG SER 31 6.746 -1.425 -5.419
200 H SER 32 H SER 32 5.861 2.641 -4.560
201 HA SER 32 HA SER 32 4.148 3.304 -3.297
202 HB2 SER 32 2HB SER 32 2.500 4.843 -4.390
203 HB3 SER 32 1HB SER 32 4.169 5.180 -4.836
204 HG SER 32 HG SER 32 2.399 3.626 -6.419
205 H ARG 33 H ARG 33 4.023 0.587 -4.026
206 HA ARG 33 HA ARG 33 1.142 0.044 -3.711
207 HB2 ARG 33 2HB ARG 33 1.195 -1.801 -5.302
208 HB3 ARG 33 1HB ARG 33 1.729 -0.333 -6.114
209 HG2 ARG 33 2HG ARG 33 4.080 -1.061 -5.870
210 HG3 ARG 33 1HG ARG 33 3.538 -2.546 -5.088
211 HD2 ARG 33 2HD ARG 33 2.303 -3.147 -7.182
212 HD3 ARG 33 1HD ARG 33 2.970 -1.696 -7.955
213 HE ARG 33 HE ARG 33 5.147 -3.055 -6.964
214 HH11 ARG 33 1HH1 ARG 33 2.617 -3.858 -9.288
215 HH12 ARG 33 2HH1 ARG 33 3.627 -4.953 -10.173
216 HH21 ARG 33 1HH2 ARG 33 6.417 -4.510 -8.107
217 HH22 ARG 33 2HH2 ARG 33 5.780 -5.327 -9.502
218 H CYS 34 H CYS 34 0.674 -1.832 -2.520
219 HA CYS 34 HA CYS 34 2.724 -2.689 -0.667
220 HB2 CYS 34 2HB CYS 34 -0.084 -3.824 -0.842
221 HB3 CYS 34 1HB CYS 34 0.961 -3.699 0.572
222 H GLU 35 H GLU 35 4.073 -4.352 -1.154
223 HA GLU 35 HA GLU 35 3.115 -6.584 -2.859
224 HB2 GLU 35 2HB GLU 35 5.913 -5.393 -2.657
225 HB3 GLU 35 1HB GLU 35 5.522 -6.869 -3.546
226 HG2 GLU 35 2HG GLU 35 4.179 -5.667 -5.123
227 HG3 GLU 35 1HG GLU 35 4.246 -4.186 -4.162
228 H ASN 36 H ASN 36 4.494 -8.600 -2.467
229 HA ASN 36 HA ASN 36 4.218 -9.341 0.276
230 HB2 ASN 36 2HB ASN 36 4.969 -11.576 -0.452
231 HB3 ASN 36 1HB ASN 36 3.714 -10.944 -1.504
232 HD21 ASN 36 1HD2 ASN 36 7.069 -11.832 -1.261
233 HD22 ASN 36 2HD2 ASN 36 7.419 -11.787 -2.953
234 HA PRO 37 HA PRO 37 8.548 -8.516 1.442
235 HB2 PRO 37 2HB PRO 37 8.451 -9.482 4.007
236 HB3 PRO 37 1HB PRO 37 7.744 -7.917 3.546
237 HG2 PRO 37 2HG PRO 37 6.378 -10.540 4.023
238 HG3 PRO 37 1HG PRO 37 5.846 -8.896 4.440
239 HD2 PRO 37 2HD PRO 37 4.932 -10.303 2.230
240 HD3 PRO 37 1HD PRO 37 4.912 -8.533 2.362
Start of MODEL 17
1 H1 ASP 1 1H ASP 1 -5.263 -2.875 -9.638
2 H2 ASP 1 2H ASP 1 -6.793 -3.394 -10.140
3 H3 ASP 1 3H ASP 1 -6.465 -3.198 -8.499
4 HA ASP 1 HA ASP 1 -6.243 -0.859 -8.723
5 HB2 ASP 1 2HB ASP 1 -6.866 -1.320 -11.673
6 HB3 ASP 1 1HB ASP 1 -6.610 0.246 -10.906
7 H GLY 2 H GLY 2 -8.111 0.310 -8.247
8 HA2 GLY 2 2HA GLY 2 -10.515 0.650 -8.320
9 HA3 GLY 2 1HA GLY 2 -10.728 -1.072 -8.601
10 H GLU 3 H GLU 3 -8.714 -1.820 -6.635
11 HA GLU 3 HA GLU 3 -9.861 -0.938 -4.046
12 HB2 GLU 3 2HB GLU 3 -9.365 -3.100 -3.096
13 HB3 GLU 3 1HB GLU 3 -10.263 -3.395 -4.575
14 HG2 GLU 3 2HG GLU 3 -7.230 -3.636 -4.347
15 HG3 GLU 3 1HG GLU 3 -8.343 -4.977 -4.111
16 H CYS 4 H CYS 4 -8.133 -1.146 -2.242
17 HA CYS 4 HA CYS 4 -5.415 -0.550 -3.222
18 HB2 CYS 4 2HB CYS 4 -5.263 1.514 -1.904
19 HB3 CYS 4 1HB CYS 4 -6.576 1.631 -3.066
20 H GLY 5 H GLY 5 -3.824 -1.275 -1.914
21 HA2 GLY 5 2HA GLY 5 -2.824 -1.515 0.247
22 HA3 GLY 5 1HA GLY 5 -4.390 -1.913 0.926
23 H ASP 6 H ASP 6 -3.916 -3.498 -2.008
24 HA ASP 6 HA ASP 6 -3.627 -6.070 -0.612
25 HB2 ASP 6 2HB ASP 6 -4.601 -5.318 -3.400
26 HB3 ASP 6 1HB ASP 6 -4.376 -6.989 -2.897
27 H LYS 7 H LYS 7 -2.521 -7.799 -2.016
28 HA LYS 7 HA LYS 7 0.263 -7.225 -2.056
29 HB2 LYS 7 2HB LYS 7 -0.827 -9.402 -1.371
30 HB3 LYS 7 1HB LYS 7 -1.189 -9.723 -3.053
31 HG2 LYS 7 2HG LYS 7 1.669 -9.310 -2.135
32 HG3 LYS 7 1HG LYS 7 0.866 -10.864 -1.915
33 HD2 LYS 7 2HD LYS 7 0.456 -10.941 -4.399
34 HD3 LYS 7 1HD LYS 7 1.397 -9.456 -4.561
35 HE2 LYS 7 2HE LYS 7 3.358 -10.635 -3.571
36 HE3 LYS 7 1HE LYS 7 2.411 -12.122 -3.510
37 HZ1 LYS 7 3HZ LYS 7 2.186 -11.997 -5.927
38 HZ2 LYS 7 1HZ LYS 7 3.803 -12.103 -5.451
39 HZ3 LYS 7 2HZ LYS 7 3.165 -10.620 -5.956
40 H ASP 8 H ASP 8 1.445 -6.448 -3.677
41 HA ASP 8 HA ASP 8 2.163 -5.587 -5.641
42 HB2 ASP 8 2HB ASP 8 0.423 -7.776 -6.873
43 HB3 ASP 8 1HB ASP 8 1.531 -6.764 -7.795
44 H GLU 9 H GLU 9 -0.361 -4.580 -4.379
45 HA GLU 9 HA GLU 9 -1.699 -3.347 -6.724
46 HB2 GLU 9 2HB GLU 9 -2.917 -5.271 -5.356
47 HB3 GLU 9 1HB GLU 9 -3.221 -4.005 -4.182
48 HG2 GLU 9 2HG GLU 9 -5.154 -4.187 -5.548
49 HG3 GLU 9 1HG GLU 9 -4.348 -2.689 -6.018
50 HA PRO 10 HA PRO 10 -0.560 0.686 -5.128
51 HB2 PRO 10 2HB PRO 10 -3.159 1.886 -5.571
52 HB3 PRO 10 1HB PRO 10 -1.736 1.956 -6.625
53 HG2 PRO 10 2HG PRO 10 -4.075 0.105 -6.717
54 HG3 PRO 10 1HG PRO 10 -3.104 0.771 -8.051
55 HD2 PRO 10 2HD PRO 10 -2.791 -1.756 -7.343
56 HD3 PRO 10 1HD PRO 10 -1.354 -0.775 -7.726
57 H CYS 11 H CYS 11 -0.443 1.534 -3.121
58 HA CYS 11 HA CYS 11 -2.410 0.786 -1.068
59 HB2 CYS 11 2HB CYS 11 -0.773 1.572 0.560
60 HB3 CYS 11 1HB CYS 11 0.018 0.479 -0.570
61 H CYS 12 H CYS 12 -3.906 2.204 -0.364
62 HA CYS 12 HA CYS 12 -3.941 4.966 -1.309
63 HB2 CYS 12 2HB CYS 12 -6.167 4.958 0.050
64 HB3 CYS 12 1HB CYS 12 -6.076 3.997 -1.420
65 H GLY 13 H GLY 13 -2.506 6.214 -0.276
66 HA2 GLY 13 2HA GLY 13 -1.815 5.836 2.532
67 HA3 GLY 13 1HA GLY 13 -1.048 6.914 1.378
68 H ARG 14 H ARG 14 -2.952 6.816 4.056
69 HA ARG 14 HA ARG 14 -4.792 8.896 3.898
70 HB2 ARG 14 2HB ARG 14 -3.072 8.083 6.288
71 HB3 ARG 14 1HB ARG 14 -4.549 9.039 6.377
72 HG2 ARG 14 2HG ARG 14 -5.851 7.080 5.561
73 HG3 ARG 14 1HG ARG 14 -4.361 6.133 5.485
74 HD2 ARG 14 2HD ARG 14 -4.061 6.469 7.937
75 HD3 ARG 14 1HD ARG 14 -5.592 7.341 7.993
76 HE ARG 14 HE ARG 14 -6.287 4.943 6.926
77 HH11 ARG 14 1HH1 ARG 14 -4.552 5.835 9.874
78 HH12 ARG 14 2HH1 ARG 14 -5.084 4.439 10.752
79 HH21 ARG 14 1HH2 ARG 14 -6.963 3.118 8.112
80 HH22 ARG 14 2HH2 ARG 14 -6.449 2.904 9.754
81 HA PRO 15 HA PRO 15 -2.531 12.745 3.459
82 HB2 PRO 15 2HB PRO 15 -3.792 14.409 5.343
83 HB3 PRO 15 1HB PRO 15 -4.432 14.037 3.726
84 HG2 PRO 15 2HG PRO 15 -5.091 12.749 6.364
85 HG3 PRO 15 1HG PRO 15 -6.182 13.258 5.055
86 HD2 PRO 15 2HD PRO 15 -5.536 10.683 5.330
87 HD3 PRO 15 1HD PRO 15 -5.641 11.399 3.704
88 H ASP 16 H ASP 16 -2.698 11.391 6.702
89 HA ASP 16 HA ASP 16 -0.512 12.988 7.801
90 HB2 ASP 16 2HB ASP 16 -0.831 11.591 9.838
91 HB3 ASP 16 1HB ASP 16 -2.335 12.324 9.291
92 H GLY 17 H GLY 17 -0.426 10.601 5.582
93 HA2 GLY 17 2HA GLY 17 1.398 9.496 4.702
94 HA3 GLY 17 1HA GLY 17 2.333 9.951 6.117
95 H ALA 18 H ALA 18 -0.746 8.146 6.006
96 HA ALA 18 HA ALA 18 0.665 5.747 7.067
97 HB1 ALA 18 3HB ALA 18 -0.901 6.725 8.701
98 HB2 ALA 18 1HB ALA 18 -1.448 5.131 8.170
99 HB3 ALA 18 2HB ALA 18 -2.219 6.588 7.539
100 H LYS 19 H LYS 19 1.093 4.681 5.174
101 HA LYS 19 HA LYS 19 -0.719 4.423 2.976
102 HB2 LYS 19 2HB LYS 19 1.798 2.837 3.663
103 HB3 LYS 19 1HB LYS 19 0.924 2.714 2.137
104 HG2 LYS 19 2HG LYS 19 1.434 5.048 1.625
105 HG3 LYS 19 1HG LYS 19 2.236 5.247 3.181
106 HD2 LYS 19 2HD LYS 19 3.178 3.236 1.102
107 HD3 LYS 19 1HD LYS 19 3.724 4.909 1.105
108 HE2 LYS 19 2HE LYS 19 5.392 3.548 2.209
109 HE3 LYS 19 1HE LYS 19 4.624 4.573 3.414
110 HZ1 LYS 19 3HZ LYS 19 4.978 2.278 4.152
111 HZ2 LYS 19 1HZ LYS 19 3.949 1.725 2.936
112 HZ3 LYS 19 2HZ LYS 19 3.347 2.708 4.170
113 H VAL 20 H VAL 20 -2.566 3.300 3.140
114 HA VAL 20 HA VAL 20 -3.010 1.273 5.131
115 HB VAL 20 HB VAL 20 -4.800 2.143 2.800
116 HG11 VAL 20 1HG1 VAL 20 -5.509 0.508 5.277
117 HG12 VAL 20 2HG1 VAL 20 -5.433 -0.095 3.619
118 HG13 VAL 20 3HG1 VAL 20 -6.658 1.091 4.066
119 HG21 VAL 20 3HG2 VAL 20 -4.350 4.019 4.336
120 HG22 VAL 20 1HG2 VAL 20 -4.844 3.037 5.719
121 HG23 VAL 20 2HG2 VAL 20 -6.024 3.491 4.487
122 H CYS 21 H CYS 21 -2.235 -0.674 4.898
123 HA CYS 21 HA CYS 21 -2.581 -2.241 2.443
124 HB2 CYS 21 2HB CYS 21 0.020 -2.102 4.032
125 HB3 CYS 21 1HB CYS 21 -0.308 -3.229 2.719
126 H ASN 22 H ASN 22 -3.106 -4.396 2.885
127 HA ASN 22 HA ASN 22 -3.667 -5.144 5.636
128 HB2 ASN 22 2HB ASN 22 -4.765 -7.075 4.770
129 HB3 ASN 22 1HB ASN 22 -5.168 -5.774 3.668
130 HD21 ASN 22 1HD2 ASN 22 -4.216 -5.771 1.562
131 HD22 ASN 22 2HD2 ASN 22 -3.579 -7.229 0.877
132 H ASP 23 H ASP 23 -2.585 -6.817 6.777
133 HA ASP 23 HA ASP 23 0.246 -6.860 6.328
134 HB2 ASP 23 2HB ASP 23 0.390 -8.064 8.441
135 HB3 ASP 23 1HB ASP 23 -0.734 -6.724 8.600
136 HA PRO 24 HA PRO 24 2.028 -8.046 6.813
137 HB2 PRO 24 2HB PRO 24 4.071 -9.627 6.116
138 HB3 PRO 24 1HB PRO 24 2.822 -10.262 7.213
139 HG2 PRO 24 2HG PRO 24 3.218 -10.802 4.285
140 HG3 PRO 24 1HG PRO 24 2.692 -11.906 5.577
141 HD2 PRO 24 2HD PRO 24 1.000 -10.466 3.775
142 HD3 PRO 24 1HD PRO 24 0.485 -11.397 5.198
143 H TRP 25 H TRP 25 0.875 -7.384 4.060
144 HA TRP 25 HA TRP 25 3.155 -7.028 2.297
145 HB2 TRP 25 2HB TRP 25 0.335 -5.954 1.831
146 HB3 TRP 25 1HB TRP 25 1.573 -6.313 0.624
147 HD1 TRP 25 HD1 TRP 25 -1.551 -7.657 1.557
148 HE1 TRP 25 HE1 TRP 25 -1.733 -10.195 1.247
149 HE3 TRP 25 HE3 TRP 25 3.429 -8.791 1.114
150 HZ2 TRP 25 HZ2 TRP 25 -0.015 -12.389 0.876
151 HZ3 TRP 25 HZ3 TRP 25 4.065 -11.144 0.782
152 HH2 TRP 25 HH2 TRP 25 2.377 -12.906 0.667
153 H VAL 26 H VAL 26 4.472 -5.359 2.453
154 HA VAL 26 HA VAL 26 3.671 -2.830 3.733
155 HB VAL 26 HB VAL 26 6.118 -2.329 3.820
156 HG11 VAL 26 1HG1 VAL 26 6.751 -4.025 5.508
157 HG12 VAL 26 2HG1 VAL 26 5.418 -5.057 4.981
158 HG13 VAL 26 3HG1 VAL 26 5.082 -3.491 5.724
159 HG21 VAL 26 3HG2 VAL 26 7.802 -4.060 3.221
160 HG22 VAL 26 1HG2 VAL 26 6.885 -3.546 1.805
161 HG23 VAL 26 2HG2 VAL 26 6.523 -5.093 2.575
162 H CYS 27 H CYS 27 3.387 -0.971 2.548
163 HA CYS 27 HA CYS 27 3.560 -1.100 -0.339
164 HB2 CYS 27 2HB CYS 27 1.672 0.093 0.657
165 HB3 CYS 27 1HB CYS 27 2.763 1.245 1.429
166 H ILE 28 H ILE 28 5.423 -0.884 -1.313
167 HA ILE 28 HA ILE 28 7.610 0.781 -0.385
168 HB ILE 28 HB ILE 28 7.237 -0.705 -3.043
169 HG12 ILE 28 2HG1 ILE 28 8.770 -1.542 -0.528
170 HG13 ILE 28 1HG1 ILE 28 7.227 -2.213 -1.057
171 HG21 ILE 28 1HG2 ILE 28 8.894 1.112 -3.269
172 HG22 ILE 28 2HG2 ILE 28 9.686 -0.460 -3.349
173 HG23 ILE 28 3HG2 ILE 28 9.784 0.503 -1.872
174 HD11 ILE 28 3HD1 ILE 28 9.047 -3.710 -1.563
175 HD12 ILE 28 1HD1 ILE 28 9.863 -2.458 -2.502
176 HD13 ILE 28 2HD1 ILE 28 8.321 -3.117 -3.057
177 H LEU 29 H LEU 29 7.931 2.886 -0.979
178 HA LEU 29 HA LEU 29 5.844 4.449 -2.066
179 HB2 LEU 29 2HB LEU 29 8.752 5.106 -1.497
180 HB3 LEU 29 1HB LEU 29 7.645 6.312 -2.114
181 HG LEU 29 HG LEU 29 7.877 6.665 0.247
182 HD11 LEU 29 1HD1 LEU 29 5.204 5.347 -0.256
183 HD12 LEU 29 2HD1 LEU 29 5.645 7.010 -0.648
184 HD13 LEU 29 3HD1 LEU 29 5.583 6.491 1.034
185 HD21 LEU 29 3HD2 LEU 29 7.382 5.005 1.970
186 HD22 LEU 29 1HD2 LEU 29 8.698 4.457 0.934
187 HD23 LEU 29 2HD2 LEU 29 7.082 3.777 0.736
188 H THR 30 H THR 30 8.870 3.269 -3.436
189 HA THR 30 HA THR 30 8.965 4.712 -5.832
190 HB THR 30 HB THR 30 10.069 1.912 -5.352
191 HG1 THR 30 HG1 THR 30 11.860 2.967 -4.443
192 HG21 THR 30 3HG2 THR 30 10.297 2.660 -7.701
193 HG22 THR 30 1HG2 THR 30 11.868 2.619 -6.904
194 HG23 THR 30 2HG2 THR 30 11.052 4.164 -7.159
195 H SER 31 H SER 31 7.344 1.705 -5.029
196 HA SER 31 HA SER 31 6.370 1.249 -7.767
197 HB2 SER 31 2HB SER 31 5.588 -0.903 -6.772
198 HB3 SER 31 1HB SER 31 7.307 -0.640 -6.451
199 HG SER 31 HG SER 31 6.259 -1.265 -4.555
200 H SER 32 H SER 32 5.403 2.641 -4.805
201 HA SER 32 HA SER 32 3.555 3.292 -3.738
202 HB2 SER 32 2HB SER 32 1.813 4.438 -5.109
203 HB3 SER 32 1HB SER 32 3.446 4.877 -5.591
204 HG SER 32 HG SER 32 2.361 2.739 -6.948
205 H ARG 33 H ARG 33 3.736 0.434 -4.050
206 HA ARG 33 HA ARG 33 0.900 -0.354 -3.806
207 HB2 ARG 33 2HB ARG 33 1.128 -2.254 -5.287
208 HB3 ARG 33 1HB ARG 33 1.631 -0.813 -6.161
209 HG2 ARG 33 2HG ARG 33 4.030 -1.473 -5.581
210 HG3 ARG 33 1HG ARG 33 3.384 -3.024 -5.051
211 HD2 ARG 33 2HD ARG 33 4.218 -3.209 -7.328
212 HD3 ARG 33 1HD ARG 33 2.455 -3.375 -7.343
213 HE ARG 33 HE ARG 33 2.878 -0.705 -7.767
214 HH11 ARG 33 1HH1 ARG 33 3.974 -3.599 -9.460
215 HH12 ARG 33 2HH1 ARG 33 4.076 -2.803 -10.991
216 HH21 ARG 33 1HH2 ARG 33 3.058 0.312 -9.766
217 HH22 ARG 33 2HH2 ARG 33 3.554 -0.579 -11.157
218 H CYS 34 H CYS 34 0.530 -2.192 -2.507
219 HA CYS 34 HA CYS 34 2.510 -2.632 -0.444
220 HB2 CYS 34 2HB CYS 34 -0.205 -3.971 -0.648
221 HB3 CYS 34 1HB CYS 34 0.750 -3.672 0.805
222 H GLU 35 H GLU 35 4.154 -3.924 -1.132
223 HA GLU 35 HA GLU 35 3.577 -6.573 -2.325
224 HB2 GLU 35 2HB GLU 35 6.110 -4.879 -2.306
225 HB3 GLU 35 1HB GLU 35 6.016 -6.515 -2.969
226 HG2 GLU 35 2HG GLU 35 4.523 -5.833 -4.701
227 HG3 GLU 35 1HG GLU 35 4.270 -4.248 -3.955
228 H ASN 36 H ASN 36 5.704 -8.025 -1.746
229 HA ASN 36 HA ASN 36 5.513 -8.792 0.976
230 HB2 ASN 36 2HB ASN 36 7.184 -10.456 0.426
231 HB3 ASN 36 1HB ASN 36 6.120 -10.302 -0.966
232 HD21 ASN 36 1HD2 ASN 36 9.334 -9.775 0.270
233 HD22 ASN 36 2HD2 ASN 36 10.085 -9.445 -1.243
234 HA PRO 37 HA PRO 37 8.930 -6.376 2.921
235 HB2 PRO 37 2HB PRO 37 9.705 -8.969 4.248
236 HB3 PRO 37 1HB PRO 37 9.322 -7.398 4.985
237 HG2 PRO 37 2HG PRO 37 7.584 -9.404 5.150
238 HG3 PRO 37 1HG PRO 37 7.022 -7.738 4.866
239 HD2 PRO 37 2HD PRO 37 7.333 -9.984 2.875
240 HD3 PRO 37 1HD PRO 37 6.002 -8.817 3.055
Start of MODEL 18
1 H1 ASP 1 1H ASP 1 -6.279 -3.661 -10.963
2 H2 ASP 1 2H ASP 1 -6.030 -3.807 -9.296
3 H3 ASP 1 3H ASP 1 -4.708 -3.730 -10.345
4 HA ASP 1 HA ASP 1 -5.054 -1.652 -9.173
5 HB2 ASP 1 2HB ASP 1 -4.051 -1.683 -11.482
6 HB3 ASP 1 1HB ASP 1 -5.661 -1.453 -12.159
7 H GLY 2 H GLY 2 -6.427 0.247 -8.894
8 HA2 GLY 2 2HA GLY 2 -8.442 1.494 -9.231
9 HA3 GLY 2 1HA GLY 2 -9.299 0.004 -9.598
10 H GLU 3 H GLU 3 -8.076 -1.412 -7.355
11 HA GLU 3 HA GLU 3 -9.423 -0.184 -5.021
12 HB2 GLU 3 2HB GLU 3 -9.676 -2.524 -4.163
13 HB3 GLU 3 1HB GLU 3 -10.520 -2.260 -5.686
14 HG2 GLU 3 2HG GLU 3 -8.577 -3.324 -6.871
15 HG3 GLU 3 1HG GLU 3 -7.881 -3.704 -5.296
16 H CYS 4 H CYS 4 -8.316 -1.022 -2.858
17 HA CYS 4 HA CYS 4 -5.379 -1.064 -3.135
18 HB2 CYS 4 2HB CYS 4 -5.099 0.886 -1.672
19 HB3 CYS 4 1HB CYS 4 -6.039 1.322 -3.091
20 H GLY 5 H GLY 5 -4.306 -2.027 -1.460
21 HA2 GLY 5 2HA GLY 5 -3.979 -2.510 0.854
22 HA3 GLY 5 1HA GLY 5 -5.714 -2.599 1.078
23 H ASP 6 H ASP 6 -4.086 -4.213 -1.579
24 HA ASP 6 HA ASP 6 -4.103 -6.840 -0.182
25 HB2 ASP 6 2HB ASP 6 -4.902 -6.220 -3.068
26 HB3 ASP 6 1HB ASP 6 -4.546 -7.850 -2.512
27 H LYS 7 H LYS 7 -2.728 -8.440 -1.469
28 HA LYS 7 HA LYS 7 -0.022 -7.575 -1.534
29 HB2 LYS 7 2HB LYS 7 -1.042 -9.897 -0.924
30 HB3 LYS 7 1HB LYS 7 -1.087 -10.210 -2.653
31 HG2 LYS 7 2HG LYS 7 1.448 -9.472 -1.175
32 HG3 LYS 7 1HG LYS 7 0.886 -11.132 -1.317
33 HD2 LYS 7 2HD LYS 7 1.139 -11.039 -3.753
34 HD3 LYS 7 1HD LYS 7 1.595 -9.335 -3.668
35 HE2 LYS 7 2HE LYS 7 3.598 -9.917 -2.374
36 HE3 LYS 7 1HE LYS 7 3.143 -11.621 -2.405
37 HZ1 LYS 7 3HZ LYS 7 3.463 -11.680 -4.741
38 HZ2 LYS 7 1HZ LYS 7 4.842 -10.989 -4.057
39 HZ3 LYS 7 2HZ LYS 7 3.701 -10.011 -4.834
40 H ASP 8 H ASP 8 1.071 -6.707 -3.221
41 HA ASP 8 HA ASP 8 1.626 -5.800 -5.207
42 HB2 ASP 8 2HB ASP 8 0.320 -8.349 -6.248
43 HB3 ASP 8 1HB ASP 8 1.157 -7.212 -7.295
44 H GLU 9 H GLU 9 -0.887 -5.039 -4.007
45 HA GLU 9 HA GLU 9 -2.444 -4.024 -6.338
46 HB2 GLU 9 2HB GLU 9 -3.592 -5.517 -4.568
47 HB3 GLU 9 1HB GLU 9 -3.344 -4.221 -3.419
48 HG2 GLU 9 2HG GLU 9 -5.596 -4.064 -4.133
49 HG3 GLU 9 1HG GLU 9 -4.738 -2.744 -4.937
50 HA PRO 10 HA PRO 10 -0.805 0.167 -5.357
51 HB2 PRO 10 2HB PRO 10 -3.270 1.566 -5.783
52 HB3 PRO 10 1HB PRO 10 -2.006 1.268 -6.997
53 HG2 PRO 10 2HG PRO 10 -4.515 -0.281 -6.458
54 HG3 PRO 10 1HG PRO 10 -3.750 0.121 -8.015
55 HD2 PRO 10 2HD PRO 10 -3.494 -2.331 -7.043
56 HD3 PRO 10 1HD PRO 10 -2.078 -1.542 -7.773
57 H CYS 11 H CYS 11 -0.778 1.514 -3.521
58 HA CYS 11 HA CYS 11 -2.568 0.731 -1.301
59 HB2 CYS 11 2HB CYS 11 -0.910 1.601 0.214
60 HB3 CYS 11 1HB CYS 11 -0.069 0.591 -0.960
61 H CYS 12 H CYS 12 -4.088 2.141 -0.570
62 HA CYS 12 HA CYS 12 -4.203 4.887 -1.550
63 HB2 CYS 12 2HB CYS 12 -6.288 4.832 0.128
64 HB3 CYS 12 1HB CYS 12 -6.371 4.040 -1.440
65 H GLY 13 H GLY 13 -2.371 5.837 -0.733
66 HA2 GLY 13 2HA GLY 13 -1.517 5.579 2.015
67 HA3 GLY 13 1HA GLY 13 -0.750 6.522 0.756
68 H ARG 14 H ARG 14 -2.218 6.810 3.673
69 HA ARG 14 HA ARG 14 -3.750 9.229 3.194
70 HB2 ARG 14 2HB ARG 14 -3.040 7.802 5.794
71 HB3 ARG 14 1HB ARG 14 -4.070 9.231 5.692
72 HG2 ARG 14 2HG ARG 14 -5.550 7.790 4.092
73 HG3 ARG 14 1HG ARG 14 -4.643 6.410 4.715
74 HD2 ARG 14 2HD ARG 14 -6.031 8.348 6.586
75 HD3 ARG 14 1HD ARG 14 -6.923 7.042 5.816
76 HE ARG 14 HE ARG 14 -5.339 5.483 6.925
77 HH11 ARG 14 1HH1 ARG 14 -5.753 8.689 8.341
78 HH12 ARG 14 2HH1 ARG 14 -5.326 8.159 9.936
79 HH21 ARG 14 1HH2 ARG 14 -4.911 4.797 9.046
80 HH22 ARG 14 2HH2 ARG 14 -4.850 5.956 10.333
81 HA PRO 15 HA PRO 15 -0.332 12.018 3.391
82 HB2 PRO 15 2HB PRO 15 -1.464 14.354 4.310
83 HB3 PRO 15 1HB PRO 15 -1.818 13.670 2.706
84 HG2 PRO 15 2HG PRO 15 -3.418 13.419 5.249
85 HG3 PRO 15 1HG PRO 15 -3.969 13.817 3.606
86 HD2 PRO 15 2HD PRO 15 -4.215 11.309 4.595
87 HD3 PRO 15 1HD PRO 15 -3.867 11.600 2.875
88 H ASP 16 H ASP 16 -1.860 11.225 6.364
89 HA ASP 16 HA ASP 16 0.059 12.442 8.151
90 HB2 ASP 16 2HB ASP 16 -1.034 10.936 9.869
91 HB3 ASP 16 1HB ASP 16 -2.136 12.033 9.040
92 H GLY 17 H GLY 17 -0.012 9.618 6.208
93 HA2 GLY 17 2HA GLY 17 2.236 8.721 5.724
94 HA3 GLY 17 1HA GLY 17 2.477 8.576 7.455
95 H ALA 18 H ALA 18 -0.635 7.725 7.233
96 HA ALA 18 HA ALA 18 0.040 4.913 7.525
97 HB1 ALA 18 3HB ALA 18 -1.523 5.982 9.087
98 HB2 ALA 18 1HB ALA 18 -2.283 4.631 8.237
99 HB3 ALA 18 2HB ALA 18 -2.645 6.294 7.760
100 H LYS 19 H LYS 19 0.524 4.071 5.566
101 HA LYS 19 HA LYS 19 -1.160 4.346 3.217
102 HB2 LYS 19 2HB LYS 19 1.242 2.542 3.754
103 HB3 LYS 19 1HB LYS 19 0.485 2.797 2.181
104 HG2 LYS 19 2HG LYS 19 1.291 5.012 2.004
105 HG3 LYS 19 1HG LYS 19 1.606 5.133 3.740
106 HD2 LYS 19 2HD LYS 19 3.156 3.371 1.795
107 HD3 LYS 19 1HD LYS 19 3.689 4.944 2.394
108 HE2 LYS 19 2HE LYS 19 3.767 4.082 4.682
109 HE3 LYS 19 1HE LYS 19 3.138 2.523 4.150
110 HZ1 LYS 19 3HZ LYS 19 5.725 3.707 3.315
111 HZ2 LYS 19 1HZ LYS 19 5.117 2.209 2.830
112 HZ3 LYS 19 2HZ LYS 19 5.523 2.474 4.446
113 H VAL 20 H VAL 20 -2.934 3.165 2.939
114 HA VAL 20 HA VAL 20 -3.634 1.066 4.778
115 HB VAL 20 HB VAL 20 -5.187 2.092 2.358
116 HG11 VAL 20 1HG1 VAL 20 -6.002 -0.122 3.042
117 HG12 VAL 20 2HG1 VAL 20 -7.184 1.114 3.470
118 HG13 VAL 20 3HG1 VAL 20 -6.150 0.417 4.720
119 HG21 VAL 20 3HG2 VAL 20 -4.755 3.901 3.966
120 HG22 VAL 20 1HG2 VAL 20 -5.402 2.920 5.285
121 HG23 VAL 20 2HG2 VAL 20 -6.464 3.463 3.982
122 H CYS 21 H CYS 21 -2.339 -0.565 4.483
123 HA CYS 21 HA CYS 21 -2.675 -2.308 2.125
124 HB2 CYS 21 2HB CYS 21 -0.142 -1.866 3.767
125 HB3 CYS 21 1HB CYS 21 -0.332 -3.109 2.533
126 H ASN 22 H ASN 22 -2.824 -4.523 2.627
127 HA ASN 22 HA ASN 22 -3.565 -5.267 5.333
128 HB2 ASN 22 2HB ASN 22 -3.917 -7.536 4.368
129 HB3 ASN 22 1HB ASN 22 -4.748 -6.301 3.431
130 HD21 ASN 22 1HD2 ASN 22 -3.963 -8.964 2.609
131 HD22 ASN 22 2HD2 ASN 22 -2.941 -8.773 1.223
132 H ASP 23 H ASP 23 -2.321 -6.510 6.754
133 HA ASP 23 HA ASP 23 0.540 -6.317 6.503
134 HB2 ASP 23 2HB ASP 23 0.594 -7.263 8.785
135 HB3 ASP 23 1HB ASP 23 -0.584 -5.962 8.678
136 HA PRO 24 HA PRO 24 2.340 -7.257 7.249
137 HB2 PRO 24 2HB PRO 24 4.586 -8.697 6.771
138 HB3 PRO 24 1HB PRO 24 3.420 -9.200 8.016
139 HG2 PRO 24 2HG PRO 24 3.952 -10.405 5.358
140 HG3 PRO 24 1HG PRO 24 3.286 -11.147 6.824
141 HD2 PRO 24 2HD PRO 24 1.836 -10.118 4.530
142 HD3 PRO 24 1HD PRO 24 1.175 -10.918 5.973
143 H TRP 25 H TRP 25 1.303 -7.213 4.339
144 HA TRP 25 HA TRP 25 3.613 -6.698 2.656
145 HB2 TRP 25 2HB TRP 25 0.691 -6.111 1.992
146 HB3 TRP 25 1HB TRP 25 2.007 -6.458 0.870
147 HD1 TRP 25 HD1 TRP 25 -0.803 -8.077 2.627
148 HE1 TRP 25 HE1 TRP 25 -0.734 -10.606 2.355
149 HE3 TRP 25 HE3 TRP 25 3.953 -8.518 0.862
150 HZ2 TRP 25 HZ2 TRP 25 1.130 -12.575 1.534
151 HZ3 TRP 25 HZ3 TRP 25 4.820 -10.767 0.368
152 HH2 TRP 25 HH2 TRP 25 3.437 -12.755 0.699
153 H VAL 26 H VAL 26 4.559 -4.746 2.429
154 HA VAL 26 HA VAL 26 3.284 -2.330 3.582
155 HB VAL 26 HB VAL 26 5.532 -1.393 3.877
156 HG11 VAL 26 1HG1 VAL 26 5.404 -4.213 5.007
157 HG12 VAL 26 2HG1 VAL 26 4.655 -2.775 5.706
158 HG13 VAL 26 3HG1 VAL 26 6.413 -2.896 5.619
159 HG21 VAL 26 3HG2 VAL 26 6.615 -3.960 2.648
160 HG22 VAL 26 1HG2 VAL 26 7.591 -2.685 3.382
161 HG23 VAL 26 2HG2 VAL 26 6.665 -2.353 1.918
162 H CYS 27 H CYS 27 3.158 -0.453 2.359
163 HA CYS 27 HA CYS 27 3.428 -0.663 -0.523
164 HB2 CYS 27 2HB CYS 27 1.463 0.495 0.434
165 HB3 CYS 27 1HB CYS 27 2.523 1.689 1.183
166 H ILE 28 H ILE 28 5.387 -0.414 -1.371
167 HA ILE 28 HA ILE 28 7.418 1.372 -0.307
168 HB ILE 28 HB ILE 28 7.394 -0.050 -3.033
169 HG12 ILE 28 2HG1 ILE 28 9.182 -1.588 -1.865
170 HG13 ILE 28 1HG1 ILE 28 8.497 -0.997 -0.352
171 HG21 ILE 28 1HG2 ILE 28 9.712 1.259 -1.565
172 HG22 ILE 28 2HG2 ILE 28 8.903 1.889 -2.999
173 HG23 ILE 28 3HG2 ILE 28 9.828 0.389 -3.104
174 HD11 ILE 28 3HD1 ILE 28 7.598 -3.169 -0.992
175 HD12 ILE 28 1HD1 ILE 28 6.998 -2.494 -2.509
176 HD13 ILE 28 2HD1 ILE 28 6.329 -1.946 -0.968
177 H LEU 29 H LEU 29 7.420 3.541 -0.748
178 HA LEU 29 HA LEU 29 5.266 4.768 -2.072
179 HB2 LEU 29 2HB LEU 29 7.888 5.850 -1.045
180 HB3 LEU 29 1HB LEU 29 6.773 6.904 -1.879
181 HG LEU 29 HG LEU 29 6.488 7.255 0.473
182 HD11 LEU 29 1HD1 LEU 29 4.130 6.791 0.816
183 HD12 LEU 29 2HD1 LEU 29 4.142 5.610 -0.498
184 HD13 LEU 29 3HD1 LEU 29 4.435 7.319 -0.839
185 HD21 LEU 29 3HD2 LEU 29 6.025 4.279 0.822
186 HD22 LEU 29 1HD2 LEU 29 5.878 5.511 2.081
187 HD23 LEU 29 2HD2 LEU 29 7.446 5.186 1.344
188 H THR 30 H THR 30 8.413 3.824 -3.315
189 HA THR 30 HA THR 30 8.595 5.313 -5.686
190 HB THR 30 HB THR 30 9.574 2.482 -5.104
191 HG1 THR 30 HG1 THR 30 11.624 3.825 -4.904
192 HG21 THR 30 3HG2 THR 30 10.493 4.391 -7.287
193 HG22 THR 30 1HG2 THR 30 9.599 2.890 -7.541
194 HG23 THR 30 2HG2 THR 30 11.240 2.843 -6.893
195 H SER 31 H SER 31 7.231 2.061 -5.187
196 HA SER 31 HA SER 31 6.112 1.930 -7.890
197 HB2 SER 31 2HB SER 31 5.489 -0.400 -7.118
198 HB3 SER 31 1HB SER 31 7.221 -0.073 -7.016
199 HG SER 31 HG SER 31 5.970 -1.058 -5.116
200 H SER 32 H SER 32 5.171 2.830 -4.747
201 HA SER 32 HA SER 32 3.327 3.195 -3.547
202 HB2 SER 32 2HB SER 32 1.514 4.462 -4.710
203 HB3 SER 32 1HB SER 32 3.123 5.075 -5.070
204 HG SER 32 HG SER 32 1.924 3.197 -6.787
205 H ARG 33 H ARG 33 3.536 0.531 -3.914
206 HA ARG 33 HA ARG 33 0.749 -0.362 -3.841
207 HB2 ARG 33 2HB ARG 33 1.152 -2.275 -5.373
208 HB3 ARG 33 1HB ARG 33 1.343 -0.721 -6.179
209 HG2 ARG 33 2HG ARG 33 3.842 -0.973 -5.826
210 HG3 ARG 33 1HG ARG 33 3.521 -2.634 -5.321
211 HD2 ARG 33 2HD ARG 33 2.855 -1.412 -8.023
212 HD3 ARG 33 1HD ARG 33 4.203 -2.499 -7.684
213 HE ARG 33 HE ARG 33 1.374 -3.338 -7.374
214 HH11 ARG 33 1HH1 ARG 33 4.607 -3.946 -8.663
215 HH12 ARG 33 2HH1 ARG 33 4.191 -5.504 -9.306
216 HH21 ARG 33 1HH2 ARG 33 0.838 -5.338 -8.315
217 HH22 ARG 33 2HH2 ARG 33 2.051 -6.291 -9.107
218 H CYS 34 H CYS 34 0.399 -2.177 -2.612
219 HA CYS 34 HA CYS 34 2.228 -2.549 -0.442
220 HB2 CYS 34 2HB CYS 34 -0.397 -4.004 -0.900
221 HB3 CYS 34 1HB CYS 34 0.407 -3.697 0.637
222 H GLU 35 H GLU 35 4.005 -3.591 -1.368
223 HA GLU 35 HA GLU 35 3.691 -6.358 -2.360
224 HB2 GLU 35 2HB GLU 35 6.076 -4.462 -2.492
225 HB3 GLU 35 1HB GLU 35 6.064 -6.107 -3.126
226 HG2 GLU 35 2HG GLU 35 4.347 -5.492 -4.752
227 HG3 GLU 35 1HG GLU 35 4.276 -3.852 -4.098
228 H ASN 36 H ASN 36 6.066 -7.491 -1.728
229 HA ASN 36 HA ASN 36 5.859 -8.267 0.964
230 HB2 ASN 36 2HB ASN 36 7.843 -9.612 0.530
231 HB3 ASN 36 1HB ASN 36 6.806 -9.662 -0.885
232 HD21 ASN 36 1HD2 ASN 36 9.864 -8.645 0.394
233 HD22 ASN 36 2HD2 ASN 36 10.574 -8.143 -1.098
234 HA PRO 37 HA PRO 37 8.330 -5.029 3.035
235 HB2 PRO 37 2HB PRO 37 8.911 -6.406 5.376
236 HB3 PRO 37 1HB PRO 37 7.351 -5.615 5.054
237 HG2 PRO 37 2HG PRO 37 8.093 -8.515 4.759
238 HG3 PRO 37 1HG PRO 37 6.615 -7.789 5.437
239 HD2 PRO 37 2HD PRO 37 6.673 -8.785 2.924
240 HD3 PRO 37 1HD PRO 37 5.688 -7.363 3.341
Start of MODEL 19
1 H1 ASP 1 1H ASP 1 -10.229 -5.344 -9.509
2 H2 ASP 1 2H ASP 1 -11.395 -5.010 -8.335
3 H3 ASP 1 3H ASP 1 -9.773 -4.618 -8.047
4 HA ASP 1 HA ASP 1 -9.781 -2.985 -9.776
5 HB2 ASP 1 2HB ASP 1 -11.405 -4.114 -11.292
6 HB3 ASP 1 1HB ASP 1 -12.713 -3.749 -10.176
7 H GLY 2 H GLY 2 -9.982 -0.878 -9.066
8 HA2 GLY 2 2HA GLY 2 -10.496 0.916 -7.716
9 HA3 GLY 2 1HA GLY 2 -12.060 0.161 -7.436
10 H GLU 3 H GLU 3 -9.221 -1.630 -6.618
11 HA GLU 3 HA GLU 3 -9.771 -1.325 -3.727
12 HB2 GLU 3 2HB GLU 3 -8.662 -3.549 -3.513
13 HB3 GLU 3 1HB GLU 3 -10.057 -3.597 -4.589
14 HG2 GLU 3 2HG GLU 3 -8.449 -3.401 -6.539
15 HG3 GLU 3 1HG GLU 3 -7.131 -3.589 -5.385
16 H CYS 4 H CYS 4 -7.833 -1.508 -2.276
17 HA CYS 4 HA CYS 4 -5.260 -0.696 -3.313
18 HB2 CYS 4 2HB CYS 4 -5.192 1.497 -2.141
19 HB3 CYS 4 1HB CYS 4 -6.465 1.476 -3.352
20 H GLY 5 H GLY 5 -3.983 -2.002 -2.091
21 HA2 GLY 5 2HA GLY 5 -3.085 -1.787 0.324
22 HA3 GLY 5 1HA GLY 5 -4.664 -2.393 0.771
23 H ASP 6 H ASP 6 -4.071 -4.000 -1.969
24 HA ASP 6 HA ASP 6 -3.143 -6.380 -0.503
25 HB2 ASP 6 2HB ASP 6 -4.496 -6.091 -3.225
26 HB3 ASP 6 1HB ASP 6 -4.041 -7.638 -2.506
27 H LYS 7 H LYS 7 -1.942 -7.984 -1.991
28 HA LYS 7 HA LYS 7 0.654 -6.899 -2.383
29 HB2 LYS 7 2HB LYS 7 0.044 -9.249 -1.500
30 HB3 LYS 7 1HB LYS 7 -0.244 -9.709 -3.170
31 HG2 LYS 7 2HG LYS 7 2.432 -8.591 -2.280
32 HG3 LYS 7 1HG LYS 7 2.043 -10.297 -2.077
33 HD2 LYS 7 2HD LYS 7 2.105 -8.796 -4.724
34 HD3 LYS 7 1HD LYS 7 3.366 -9.874 -4.123
35 HE2 LYS 7 2HE LYS 7 1.705 -11.753 -4.154
36 HE3 LYS 7 1HE LYS 7 0.526 -10.653 -4.876
37 HZ1 LYS 7 3HZ LYS 7 1.626 -11.977 -6.561
38 HZ2 LYS 7 1HZ LYS 7 3.144 -11.416 -6.064
39 HZ3 LYS 7 2HZ LYS 7 2.032 -10.349 -6.752
40 H ASP 8 H ASP 8 1.394 -5.926 -4.106
41 HA ASP 8 HA ASP 8 1.808 -5.062 -6.138
42 HB2 ASP 8 2HB ASP 8 0.226 -7.435 -7.177
43 HB3 ASP 8 1HB ASP 8 1.064 -6.295 -8.220
44 H GLU 9 H GLU 9 -0.881 -4.705 -4.578
45 HA GLU 9 HA GLU 9 -2.283 -3.122 -6.651
46 HB2 GLU 9 2HB GLU 9 -3.222 -4.358 -4.055
47 HB3 GLU 9 1HB GLU 9 -4.019 -2.896 -4.611
48 HG2 GLU 9 2HG GLU 9 -5.254 -4.917 -5.267
49 HG3 GLU 9 1HG GLU 9 -4.715 -3.981 -6.662
50 HA PRO 10 HA PRO 10 -0.356 0.610 -5.064
51 HB2 PRO 10 2HB PRO 10 -2.410 2.437 -5.677
52 HB3 PRO 10 1HB PRO 10 -1.190 1.867 -6.834
53 HG2 PRO 10 2HG PRO 10 -3.991 0.878 -6.415
54 HG3 PRO 10 1HG PRO 10 -3.118 1.163 -7.938
55 HD2 PRO 10 2HD PRO 10 -3.378 -1.331 -7.020
56 HD3 PRO 10 1HD PRO 10 -1.842 -0.808 -7.748
57 H CYS 11 H CYS 11 -0.196 1.430 -3.050
58 HA CYS 11 HA CYS 11 -2.237 0.867 -1.076
59 HB2 CYS 11 2HB CYS 11 -0.639 1.715 0.556
60 HB3 CYS 11 1HB CYS 11 0.185 0.616 -0.542
61 H CYS 12 H CYS 12 -3.878 2.226 -0.630
62 HA CYS 12 HA CYS 12 -3.886 4.963 -1.582
63 HB2 CYS 12 2HB CYS 12 -6.192 4.973 -0.363
64 HB3 CYS 12 1HB CYS 12 -6.002 3.947 -1.778
65 H GLY 13 H GLY 13 -2.243 5.952 -0.521
66 HA2 GLY 13 2HA GLY 13 -1.846 5.811 2.331
67 HA3 GLY 13 1HA GLY 13 -0.926 6.769 1.184
68 H ARG 14 H ARG 14 -2.990 6.948 3.727
69 HA ARG 14 HA ARG 14 -4.603 9.234 3.157
70 HB2 ARG 14 2HB ARG 14 -3.668 7.998 5.786
71 HB3 ARG 14 1HB ARG 14 -4.876 9.277 5.679
72 HG2 ARG 14 2HG ARG 14 -6.347 7.759 4.387
73 HG3 ARG 14 1HG ARG 14 -5.144 6.476 4.527
74 HD2 ARG 14 2HD ARG 14 -5.406 6.468 6.969
75 HD3 ARG 14 1HD ARG 14 -6.546 7.815 6.872
76 HE ARG 14 HE ARG 14 -8.086 6.317 5.692
77 HH11 ARG 14 1HH1 ARG 14 -5.481 4.741 7.499
78 HH12 ARG 14 2HH1 ARG 14 -6.338 3.247 7.655
79 HH21 ARG 14 1HH2 ARG 14 -9.200 4.337 5.945
80 HH22 ARG 14 2HH2 ARG 14 -8.445 3.015 6.776
81 HA PRO 15 HA PRO 15 -1.770 12.603 3.260
82 HB2 PRO 15 2HB PRO 15 -2.986 14.564 4.819
83 HB3 PRO 15 1HB PRO 15 -3.491 14.143 3.169
84 HG2 PRO 15 2HG PRO 15 -4.629 13.166 5.782
85 HG3 PRO 15 1HG PRO 15 -5.484 13.767 4.342
86 HD2 PRO 15 2HD PRO 15 -5.296 11.135 4.760
87 HD3 PRO 15 1HD PRO 15 -5.103 11.788 3.115
88 H ASP 16 H ASP 16 -2.615 11.395 6.439
89 HA ASP 16 HA ASP 16 -0.552 12.770 7.903
90 HB2 ASP 16 2HB ASP 16 -1.147 11.189 9.752
91 HB3 ASP 16 1HB ASP 16 -2.544 12.013 9.079
92 H GLY 17 H GLY 17 -0.666 9.917 5.958
93 HA2 GLY 17 2HA GLY 17 1.527 9.286 5.030
94 HA3 GLY 17 1HA GLY 17 2.155 9.277 6.670
95 H ALA 18 H ALA 18 -0.914 8.028 6.868
96 HA ALA 18 HA ALA 18 0.066 5.358 7.278
97 HB1 ALA 18 3HB ALA 18 -1.700 6.332 8.709
98 HB2 ALA 18 1HB ALA 18 -2.246 4.845 7.928
99 HB3 ALA 18 2HB ALA 18 -2.784 6.410 7.315
100 H LYS 19 H LYS 19 0.713 4.412 5.392
101 HA LYS 19 HA LYS 19 -0.797 4.339 2.946
102 HB2 LYS 19 2HB LYS 19 1.437 2.468 3.887
103 HB3 LYS 19 1HB LYS 19 0.876 2.664 2.226
104 HG2 LYS 19 2HG LYS 19 1.763 4.908 2.127
105 HG3 LYS 19 1HG LYS 19 2.133 4.894 3.850
106 HD2 LYS 19 2HD LYS 19 3.479 3.178 1.719
107 HD3 LYS 19 1HD LYS 19 4.165 4.613 2.478
108 HE2 LYS 19 2HE LYS 19 4.032 3.398 4.694
109 HE3 LYS 19 1HE LYS 19 3.563 1.948 3.806
110 HZ1 LYS 19 3HZ LYS 19 5.895 1.850 4.170
111 HZ2 LYS 19 1HZ LYS 19 6.128 3.429 3.609
112 HZ3 LYS 19 2HZ LYS 19 5.677 2.213 2.538
113 H VAL 20 H VAL 20 -2.715 3.235 2.814
114 HA VAL 20 HA VAL 20 -3.432 1.232 4.763
115 HB VAL 20 HB VAL 20 -4.939 2.094 2.255
116 HG11 VAL 20 1HG1 VAL 20 -6.925 1.032 3.292
117 HG12 VAL 20 2HG1 VAL 20 -5.917 0.433 4.612
118 HG13 VAL 20 3HG1 VAL 20 -5.659 -0.157 2.966
119 HG21 VAL 20 3HG2 VAL 20 -5.325 2.919 5.152
120 HG22 VAL 20 1HG2 VAL 20 -6.348 3.410 3.797
121 HG23 VAL 20 2HG2 VAL 20 -4.662 3.933 3.867
122 H CYS 21 H CYS 21 -2.457 -0.621 4.666
123 HA CYS 21 HA CYS 21 -2.559 -2.333 2.289
124 HB2 CYS 21 2HB CYS 21 -0.056 -1.867 3.955
125 HB3 CYS 21 1HB CYS 21 -0.216 -3.071 2.681
126 H ASN 22 H ASN 22 -3.171 -4.429 2.867
127 HA ASN 22 HA ASN 22 -3.497 -5.085 5.679
128 HB2 ASN 22 2HB ASN 22 -4.547 -7.158 4.936
129 HB3 ASN 22 1HB ASN 22 -5.185 -5.827 3.992
130 HD21 ASN 22 1HD2 ASN 22 -4.708 -5.715 1.784
131 HD22 ASN 22 2HD2 ASN 22 -4.092 -7.076 0.911
132 H ASP 23 H ASP 23 -1.951 -5.941 6.901
133 HA ASP 23 HA ASP 23 0.675 -6.418 5.956
134 HB2 ASP 23 2HB ASP 23 1.160 -7.130 8.311
135 HB3 ASP 23 1HB ASP 23 0.319 -5.586 8.219
136 HA PRO 24 HA PRO 24 2.520 -7.811 6.839
137 HB2 PRO 24 2HB PRO 24 4.339 -9.507 5.882
138 HB3 PRO 24 1HB PRO 24 3.268 -10.032 7.202
139 HG2 PRO 24 2HG PRO 24 3.063 -10.638 4.259
140 HG3 PRO 24 1HG PRO 24 2.869 -11.736 5.646
141 HD2 PRO 24 2HD PRO 24 0.750 -10.493 4.307
142 HD3 PRO 24 1HD PRO 24 0.660 -11.151 5.956
143 H TRP 25 H TRP 25 1.020 -7.572 3.976
144 HA TRP 25 HA TRP 25 3.186 -6.988 2.162
145 HB2 TRP 25 2HB TRP 25 0.279 -6.138 1.838
146 HB3 TRP 25 1HB TRP 25 1.475 -6.395 0.566
147 HD1 TRP 25 HD1 TRP 25 -1.501 -7.992 1.564
148 HE1 TRP 25 HE1 TRP 25 -1.493 -10.542 1.259
149 HE3 TRP 25 HE3 TRP 25 3.554 -8.790 1.086
150 HZ2 TRP 25 HZ2 TRP 25 0.350 -12.601 0.859
151 HZ3 TRP 25 HZ3 TRP 25 4.341 -11.099 0.743
152 HH2 TRP 25 HH2 TRP 25 2.770 -12.968 0.634
153 H VAL 26 H VAL 26 4.465 -5.307 2.562
154 HA VAL 26 HA VAL 26 3.481 -2.794 3.720
155 HB VAL 26 HB VAL 26 6.328 -3.724 3.130
156 HG11 VAL 26 1HG1 VAL 26 6.201 -1.265 3.053
157 HG12 VAL 26 2HG1 VAL 26 7.066 -1.789 4.500
158 HG13 VAL 26 3HG1 VAL 26 5.391 -1.244 4.623
159 HG21 VAL 26 3HG2 VAL 26 4.822 -3.548 5.759
160 HG22 VAL 26 1HG2 VAL 26 6.528 -3.981 5.584
161 HG23 VAL 26 2HG2 VAL 26 5.276 -5.032 4.917
162 H CYS 27 H CYS 27 3.160 -0.987 2.481
163 HA CYS 27 HA CYS 27 3.515 -1.028 -0.351
164 HB2 CYS 27 2HB CYS 27 1.703 0.290 0.641
165 HB3 CYS 27 1HB CYS 27 2.863 1.320 1.471
166 H ILE 28 H ILE 28 5.470 -1.013 -1.204
167 HA ILE 28 HA ILE 28 7.687 0.550 -0.192
168 HB ILE 28 HB ILE 28 7.347 -0.930 -2.839
169 HG12 ILE 28 2HG1 ILE 28 7.196 -2.511 -0.989
170 HG13 ILE 28 1HG1 ILE 28 8.757 -2.721 -1.776
171 HG21 ILE 28 1HG2 ILE 28 9.087 0.776 -3.042
172 HG22 ILE 28 2HG2 ILE 28 9.809 -0.835 -3.043
173 HG23 ILE 28 3HG2 ILE 28 9.888 0.164 -1.591
174 HD11 ILE 28 3HD1 ILE 28 9.792 -1.410 0.053
175 HD12 ILE 28 1HD1 ILE 28 8.992 -2.887 0.594
176 HD13 ILE 28 2HD1 ILE 28 8.208 -1.328 0.835
177 H LEU 29 H LEU 29 8.180 2.641 -0.804
178 HA LEU 29 HA LEU 29 6.048 4.195 -1.877
179 HB2 LEU 29 2HB LEU 29 8.870 4.939 -1.032
180 HB3 LEU 29 1HB LEU 29 7.747 6.125 -1.665
181 HG LEU 29 HG LEU 29 7.743 6.315 0.739
182 HD11 LEU 29 1HD1 LEU 29 5.573 6.629 -0.326
183 HD12 LEU 29 2HD1 LEU 29 5.405 5.982 1.302
184 HD13 LEU 29 3HD1 LEU 29 5.192 4.920 -0.091
185 HD21 LEU 29 3HD2 LEU 29 7.175 4.499 2.281
186 HD22 LEU 29 1HD2 LEU 29 8.616 4.103 1.347
187 HD23 LEU 29 2HD2 LEU 29 7.067 3.361 0.935
188 H THR 30 H THR 30 9.122 3.069 -3.191
189 HA THR 30 HA THR 30 9.330 4.547 -5.546
190 HB THR 30 HB THR 30 10.108 1.617 -5.181
191 HG1 THR 30 HG1 THR 30 11.917 2.330 -4.195
192 HG21 THR 30 3HG2 THR 30 10.302 2.392 -7.544
193 HG22 THR 30 1HG2 THR 30 11.894 2.079 -6.833
194 HG23 THR 30 2HG2 THR 30 11.316 3.734 -7.020
195 H SER 31 H SER 31 7.568 1.530 -4.888
196 HA SER 31 HA SER 31 6.464 1.330 -7.598
197 HB2 SER 31 2HB SER 31 5.571 -0.833 -6.715
198 HB3 SER 31 1HB SER 31 7.316 -0.688 -6.493
199 HG SER 31 HG SER 31 6.061 -1.449 -4.624
200 H SER 32 H SER 32 5.644 2.681 -4.599
201 HA SER 32 HA SER 32 3.848 3.420 -3.504
202 HB2 SER 32 2HB SER 32 2.170 4.695 -4.853
203 HB3 SER 32 1HB SER 32 3.833 5.081 -5.280
204 HG SER 32 HG SER 32 2.585 3.079 -6.762
205 H ARG 33 H ARG 33 3.852 0.570 -3.906
206 HA ARG 33 HA ARG 33 0.974 -0.011 -3.659
207 HB2 ARG 33 2HB ARG 33 1.014 -1.851 -5.227
208 HB3 ARG 33 1HB ARG 33 1.643 -0.425 -6.046
209 HG2 ARG 33 2HG ARG 33 3.968 -1.314 -5.593
210 HG3 ARG 33 1HG ARG 33 3.218 -2.809 -5.025
211 HD2 ARG 33 2HD ARG 33 3.888 -3.086 -7.337
212 HD3 ARG 33 1HD ARG 33 2.123 -3.042 -7.264
213 HE ARG 33 HE ARG 33 3.207 -0.452 -7.737
214 HH11 ARG 33 1HH1 ARG 33 2.514 -3.487 -9.423
215 HH12 ARG 33 2HH1 ARG 33 2.356 -2.724 -10.970
216 HH21 ARG 33 1HH2 ARG 33 3.001 0.526 -9.751
217 HH22 ARG 33 2HH2 ARG 33 2.639 -0.428 -11.156
218 H CYS 34 H CYS 34 0.464 -1.804 -2.410
219 HA CYS 34 HA CYS 34 2.352 -2.506 -0.383
220 HB2 CYS 34 2HB CYS 34 -0.340 -3.813 -0.818
221 HB3 CYS 34 1HB CYS 34 0.529 -3.581 0.699
222 H GLU 35 H GLU 35 3.623 -4.341 -0.223
223 HA GLU 35 HA GLU 35 3.158 -6.763 -1.730
224 HB2 GLU 35 2HB GLU 35 5.281 -6.598 -3.065
225 HB3 GLU 35 1HB GLU 35 4.086 -5.389 -3.534
226 HG2 GLU 35 2HG GLU 35 5.288 -3.694 -2.164
227 HG3 GLU 35 1HG GLU 35 6.512 -4.905 -1.769
228 H ASN 36 H ASN 36 5.303 -8.195 -1.487
229 HA ASN 36 HA ASN 36 5.832 -8.477 1.286
230 HB2 ASN 36 2HB ASN 36 7.516 -10.199 0.566
231 HB3 ASN 36 1HB ASN 36 5.919 -10.438 -0.127
232 HD21 ASN 36 1HD2 ASN 36 9.244 -9.635 -0.781
233 HD22 ASN 36 2HD2 ASN 36 9.154 -9.728 -2.506
234 HA PRO 37 HA PRO 37 9.163 -5.350 1.461
235 HB2 PRO 37 2HB PRO 37 9.656 -5.442 4.138
236 HB3 PRO 37 1HB PRO 37 8.157 -4.731 3.497
237 HG2 PRO 37 2HG PRO 37 8.592 -7.484 4.638
238 HG3 PRO 37 1HG PRO 37 7.275 -6.337 4.964
239 HD2 PRO 37 2HD PRO 37 6.992 -8.403 3.212
240 HD3 PRO 37 1HD PRO 37 6.139 -6.859 3.013
Start of MODEL 20
1 H1 ASP 1 1H ASP 1 -6.501 0.225 -10.073
2 H2 ASP 1 2H ASP 1 -8.106 -0.184 -10.371
3 H3 ASP 1 3H ASP 1 -7.258 -0.972 -9.150
4 HA ASP 1 HA ASP 1 -7.124 1.000 -7.845
5 HB2 ASP 1 2HB ASP 1 -8.568 2.302 -10.191
6 HB3 ASP 1 1HB ASP 1 -8.331 3.083 -8.630
7 H GLY 2 H GLY 2 -9.206 2.222 -6.904
8 HA2 GLY 2 2HA GLY 2 -11.511 2.201 -6.381
9 HA3 GLY 2 1HA GLY 2 -11.687 0.643 -7.173
10 H GLU 3 H GLU 3 -9.419 -0.578 -5.889
11 HA GLU 3 HA GLU 3 -10.091 -0.534 -3.006
12 HB2 GLU 3 2HB GLU 3 -9.499 -2.914 -2.890
13 HB3 GLU 3 1HB GLU 3 -10.823 -2.666 -4.025
14 HG2 GLU 3 2HG GLU 3 -9.280 -2.867 -5.915
15 HG3 GLU 3 1HG GLU 3 -7.914 -3.020 -4.810
16 H CYS 4 H CYS 4 -7.986 -1.805 -1.900
17 HA CYS 4 HA CYS 4 -5.441 -0.979 -2.915
18 HB2 CYS 4 2HB CYS 4 -4.973 0.785 -1.193
19 HB3 CYS 4 1HB CYS 4 -6.265 1.255 -2.291
20 H GLY 5 H GLY 5 -3.699 -1.822 -1.694
21 HA2 GLY 5 2HA GLY 5 -2.792 -2.145 0.533
22 HA3 GLY 5 1HA GLY 5 -4.330 -2.794 1.047
23 H ASP 6 H ASP 6 -3.897 -4.195 -1.854
24 HA ASP 6 HA ASP 6 -2.933 -6.679 -0.607
25 HB2 ASP 6 2HB ASP 6 -4.515 -6.087 -3.133
26 HB3 ASP 6 1HB ASP 6 -3.877 -7.692 -2.788
27 H LYS 7 H LYS 7 -1.807 -8.212 -2.301
28 HA LYS 7 HA LYS 7 0.805 -7.165 -2.517
29 HB2 LYS 7 2HB LYS 7 -0.105 -9.696 -2.275
30 HB3 LYS 7 1HB LYS 7 0.125 -9.700 -4.014
31 HG2 LYS 7 2HG LYS 7 2.256 -9.168 -1.915
32 HG3 LYS 7 1HG LYS 7 2.070 -10.644 -2.860
33 HD2 LYS 7 2HD LYS 7 2.624 -9.420 -4.912
34 HD3 LYS 7 1HD LYS 7 2.707 -7.906 -4.011
35 HE2 LYS 7 2HE LYS 7 4.953 -8.663 -4.390
36 HE3 LYS 7 1HE LYS 7 4.596 -8.874 -2.678
37 HZ1 LYS 7 3HZ LYS 7 4.240 -11.221 -3.065
38 HZ2 LYS 7 1HZ LYS 7 5.766 -10.772 -3.635
39 HZ3 LYS 7 2HZ LYS 7 4.500 -11.028 -4.722
40 H ASP 8 H ASP 8 1.757 -6.074 -4.081
41 HA ASP 8 HA ASP 8 2.252 -4.971 -5.965
42 HB2 ASP 8 2HB ASP 8 1.030 -7.427 -7.261
43 HB3 ASP 8 1HB ASP 8 1.792 -6.142 -8.192
44 H GLU 9 H GLU 9 -0.335 -4.524 -4.654
45 HA GLU 9 HA GLU 9 -1.758 -3.127 -6.853
46 HB2 GLU 9 2HB GLU 9 -2.946 -4.482 -4.382
47 HB3 GLU 9 1HB GLU 9 -3.860 -3.458 -5.492
48 HG2 GLU 9 2HG GLU 9 -3.392 -5.016 -7.339
49 HG3 GLU 9 1HG GLU 9 -2.460 -6.044 -6.248
50 HA PRO 10 HA PRO 10 -0.619 0.648 -4.977
51 HB2 PRO 10 2HB PRO 10 -2.961 2.187 -5.274
52 HB3 PRO 10 1HB PRO 10 -1.775 1.884 -6.558
53 HG2 PRO 10 2HG PRO 10 -4.357 0.454 -6.009
54 HG3 PRO 10 1HG PRO 10 -3.682 0.998 -7.562
55 HD2 PRO 10 2HD PRO 10 -3.497 -1.569 -6.868
56 HD3 PRO 10 1HD PRO 10 -2.118 -0.761 -7.655
57 H CYS 11 H CYS 11 -0.481 1.509 -2.983
58 HA CYS 11 HA CYS 11 -2.315 0.663 -0.859
59 HB2 CYS 11 2HB CYS 11 -0.607 1.678 0.634
60 HB3 CYS 11 1HB CYS 11 0.104 0.507 -0.466
61 H CYS 12 H CYS 12 -3.866 1.994 -0.038
62 HA CYS 12 HA CYS 12 -4.310 4.563 -1.281
63 HB2 CYS 12 2HB CYS 12 -6.348 4.508 0.386
64 HB3 CYS 12 1HB CYS 12 -6.317 3.420 -0.994
65 H GLY 13 H GLY 13 -3.582 6.448 -0.564
66 HA2 GLY 13 2HA GLY 13 -2.036 6.550 1.899
67 HA3 GLY 13 1HA GLY 13 -2.106 7.761 0.633
68 H ARG 14 H ARG 14 -2.932 7.132 3.746
69 HA ARG 14 HA ARG 14 -5.263 8.740 4.101
70 HB2 ARG 14 2HB ARG 14 -3.046 7.788 5.967
71 HB3 ARG 14 1HB ARG 14 -4.381 8.783 6.543
72 HG2 ARG 14 2HG ARG 14 -4.653 6.040 5.268
73 HG3 ARG 14 1HG ARG 14 -4.749 6.394 6.995
74 HD2 ARG 14 2HD ARG 14 -6.738 7.865 6.519
75 HD3 ARG 14 1HD ARG 14 -6.670 7.337 4.836
76 HE ARG 14 HE ARG 14 -7.379 5.200 5.463
77 HH11 ARG 14 1HH1 ARG 14 -7.216 7.312 8.281
78 HH12 ARG 14 2HH1 ARG 14 -8.183 6.261 9.261
79 HH21 ARG 14 1HH2 ARG 14 -8.653 3.857 6.773
80 HH22 ARG 14 2HH2 ARG 14 -8.994 4.311 8.409
81 HA PRO 15 HA PRO 15 -3.880 12.971 3.784
82 HB2 PRO 15 2HB PRO 15 -4.845 13.447 6.606
83 HB3 PRO 15 1HB PRO 15 -5.237 14.338 5.119
84 HG2 PRO 15 2HG PRO 15 -7.011 12.665 6.155
85 HG3 PRO 15 1HG PRO 15 -6.772 12.737 4.394
86 HD2 PRO 15 2HD PRO 15 -5.799 10.660 6.343
87 HD3 PRO 15 1HD PRO 15 -6.418 10.457 4.687
88 H ASP 16 H ASP 16 -3.198 11.622 7.000
89 HA ASP 16 HA ASP 16 -0.976 13.229 7.680
90 HB2 ASP 16 2HB ASP 16 -0.545 11.448 9.412
91 HB3 ASP 16 1HB ASP 16 -2.191 12.067 9.405
92 H GLY 17 H GLY 17 -1.217 10.358 5.710
93 HA2 GLY 17 2HA GLY 17 0.527 10.242 3.969
94 HA3 GLY 17 1HA GLY 17 1.730 10.433 5.230
95 H ALA 18 H ALA 18 -0.693 8.468 6.431
96 HA ALA 18 HA ALA 18 0.964 6.161 6.455
97 HB1 ALA 18 3HB ALA 18 -0.642 6.661 8.237
98 HB2 ALA 18 1HB ALA 18 -0.916 5.052 7.565
99 HB3 ALA 18 2HB ALA 18 -1.984 6.389 7.122
100 H LYS 19 H LYS 19 1.345 4.901 4.746
101 HA LYS 19 HA LYS 19 -0.455 4.475 2.530
102 HB2 LYS 19 2HB LYS 19 2.072 2.972 3.341
103 HB3 LYS 19 1HB LYS 19 1.268 2.849 1.782
104 HG2 LYS 19 2HG LYS 19 2.494 5.422 2.827
105 HG3 LYS 19 1HG LYS 19 3.383 4.244 1.869
106 HD2 LYS 19 2HD LYS 19 2.738 5.720 0.211
107 HD3 LYS 19 1HD LYS 19 1.396 4.587 0.142
108 HE2 LYS 19 2HE LYS 19 0.543 6.847 0.035
109 HE3 LYS 19 1HE LYS 19 0.077 6.144 1.585
110 HZ1 LYS 19 3HZ LYS 19 0.899 8.428 1.780
111 HZ2 LYS 19 1HZ LYS 19 2.394 7.957 1.168
112 HZ3 LYS 19 2HZ LYS 19 1.859 7.351 2.653
113 H VAL 20 H VAL 20 -2.294 3.351 2.921
114 HA VAL 20 HA VAL 20 -2.520 1.399 5.037
115 HB VAL 20 HB VAL 20 -4.587 2.259 2.968
116 HG11 VAL 20 1HG1 VAL 20 -6.270 1.316 4.520
117 HG12 VAL 20 2HG1 VAL 20 -4.978 0.729 5.570
118 HG13 VAL 20 3HG1 VAL 20 -5.161 0.069 3.943
119 HG21 VAL 20 3HG2 VAL 20 -5.509 3.683 4.776
120 HG22 VAL 20 1HG2 VAL 20 -3.858 4.148 4.348
121 HG23 VAL 20 2HG2 VAL 20 -4.160 3.218 5.818
122 H CYS 21 H CYS 21 -2.052 -0.640 4.843
123 HA CYS 21 HA CYS 21 -2.624 -2.207 2.447
124 HB2 CYS 21 2HB CYS 21 0.069 -2.278 3.865
125 HB3 CYS 21 1HB CYS 21 -0.417 -3.329 2.539
126 H ASN 22 H ASN 22 -2.983 -4.463 2.940
127 HA ASN 22 HA ASN 22 -3.413 -5.087 5.787
128 HB2 ASN 22 2HB ASN 22 -4.425 -7.204 4.972
129 HB3 ASN 22 1HB ASN 22 -5.198 -5.794 4.269
130 HD21 ASN 22 1HD2 ASN 22 -5.182 -5.542 2.052
131 HD22 ASN 22 2HD2 ASN 22 -4.495 -6.692 0.964
132 H ASP 23 H ASP 23 -2.289 -6.750 6.871
133 HA ASP 23 HA ASP 23 0.452 -7.064 6.133
134 HB2 ASP 23 2HB ASP 23 0.675 -8.343 8.222
135 HB3 ASP 23 1HB ASP 23 -0.238 -6.864 8.490
136 HA PRO 24 HA PRO 24 2.159 -8.550 6.556
137 HB2 PRO 24 2HB PRO 24 3.999 -10.099 5.387
138 HB3 PRO 24 1HB PRO 24 2.841 -10.823 6.526
139 HG2 PRO 24 2HG PRO 24 2.823 -10.898 3.524
140 HG3 PRO 24 1HG PRO 24 2.458 -12.195 4.685
141 HD2 PRO 24 2HD PRO 24 0.545 -10.551 3.411
142 HD3 PRO 24 1HD PRO 24 0.250 -11.571 4.839
143 H TRP 25 H TRP 25 0.792 -7.691 3.784
144 HA TRP 25 HA TRP 25 3.050 -7.028 2.108
145 HB2 TRP 25 2HB TRP 25 0.191 -6.042 1.752
146 HB3 TRP 25 1HB TRP 25 1.444 -6.189 0.521
147 HD1 TRP 25 HD1 TRP 25 -1.621 -7.767 1.077
148 HE1 TRP 25 HE1 TRP 25 -1.663 -10.269 0.512
149 HE3 TRP 25 HE3 TRP 25 3.432 -8.714 0.997
150 HZ2 TRP 25 HZ2 TRP 25 0.159 -12.368 0.087
151 HZ3 TRP 25 HZ3 TRP 25 4.187 -11.004 0.505
152 HH2 TRP 25 HH2 TRP 25 2.581 -12.795 0.058
153 H VAL 26 H VAL 26 4.247 -5.282 2.256
154 HA VAL 26 HA VAL 26 3.339 -2.874 3.725
155 HB VAL 26 HB VAL 26 6.159 -3.866 3.073
156 HG11 VAL 26 1HG1 VAL 26 5.334 -1.391 4.637
157 HG12 VAL 26 2HG1 VAL 26 6.114 -1.402 3.053
158 HG13 VAL 26 3HG1 VAL 26 6.986 -1.994 4.469
159 HG21 VAL 26 3HG2 VAL 26 4.699 -3.696 5.730
160 HG22 VAL 26 1HG2 VAL 26 6.376 -4.202 5.511
161 HG23 VAL 26 2HG2 VAL 26 5.067 -5.177 4.839
162 H CYS 27 H CYS 27 3.035 -1.003 2.521
163 HA CYS 27 HA CYS 27 3.342 -1.042 -0.311
164 HB2 CYS 27 2HB CYS 27 1.640 0.377 0.770
165 HB3 CYS 27 1HB CYS 27 2.907 1.396 1.446
166 H ILE 28 H ILE 28 5.282 -1.194 -1.150
167 HA ILE 28 HA ILE 28 7.609 0.171 -0.159
168 HB ILE 28 HB ILE 28 7.189 -1.227 -2.837
169 HG12 ILE 28 2HG1 ILE 28 6.751 -2.821 -1.023
170 HG13 ILE 28 1HG1 ILE 28 8.280 -3.215 -1.806
171 HG21 ILE 28 1HG2 ILE 28 9.662 -1.430 -2.868
172 HG22 ILE 28 2HG2 ILE 28 9.751 -0.468 -1.393
173 HG23 ILE 28 3HG2 ILE 28 9.125 0.253 -2.880
174 HD11 ILE 28 3HD1 ILE 28 9.476 -2.169 0.081
175 HD12 ILE 28 1HD1 ILE 28 8.437 -3.506 0.570
176 HD13 ILE 28 2HD1 ILE 28 7.922 -1.847 0.859
177 H LEU 29 H LEU 29 7.809 2.271 -0.432
178 HA LEU 29 HA LEU 29 6.128 3.951 -1.906
179 HB2 LEU 29 2HB LEU 29 8.871 4.480 -0.691
180 HB3 LEU 29 1HB LEU 29 7.872 5.738 -1.387
181 HG LEU 29 HG LEU 29 7.635 5.892 0.981
182 HD11 LEU 29 1HD1 LEU 29 5.255 5.600 1.354
183 HD12 LEU 29 2HD1 LEU 29 5.133 4.560 -0.067
184 HD13 LEU 29 3HD1 LEU 29 5.575 6.260 -0.248
185 HD21 LEU 29 3HD2 LEU 29 8.432 3.674 1.644
186 HD22 LEU 29 1HD2 LEU 29 6.913 2.948 1.115
187 HD23 LEU 29 2HD2 LEU 29 6.932 4.082 2.469
188 H THR 30 H THR 30 9.157 2.433 -2.772
189 HA THR 30 HA THR 30 9.861 3.906 -5.065
190 HB THR 30 HB THR 30 10.388 0.958 -4.477
191 HG1 THR 30 HG1 THR 30 12.363 1.804 -3.571
192 HG21 THR 30 3HG2 THR 30 12.399 1.247 -5.880
193 HG22 THR 30 1HG2 THR 30 11.941 2.915 -6.221
194 HG23 THR 30 2HG2 THR 30 10.942 1.584 -6.817
195 H SER 31 H SER 31 8.016 0.831 -4.759
196 HA SER 31 HA SER 31 7.259 0.895 -7.597
197 HB2 SER 31 2HB SER 31 6.342 -1.395 -7.085
198 HB3 SER 31 1HB SER 31 8.056 -1.228 -6.707
199 HG SER 31 HG SER 31 7.126 -2.229 -4.978
200 H SER 32 H SER 32 6.065 2.195 -4.798
201 HA SER 32 HA SER 32 4.156 3.070 -4.020
202 HB2 SER 32 2HB SER 32 2.733 4.235 -5.689
203 HB3 SER 32 1HB SER 32 4.445 4.473 -6.008
204 HG SER 32 HG SER 32 3.199 2.341 -7.308
205 H ARG 33 H ARG 33 4.136 0.215 -4.156
206 HA ARG 33 HA ARG 33 1.232 -0.360 -4.217
207 HB2 ARG 33 2HB ARG 33 1.582 -2.437 -5.474
208 HB3 ARG 33 1HB ARG 33 2.216 -1.085 -6.408
209 HG2 ARG 33 2HG ARG 33 4.522 -1.685 -5.507
210 HG3 ARG 33 1HG ARG 33 3.803 -3.156 -4.855
211 HD2 ARG 33 2HD ARG 33 3.139 -3.807 -7.180
212 HD3 ARG 33 1HD ARG 33 3.953 -2.361 -7.790
213 HE ARG 33 HE ARG 33 5.820 -3.719 -6.253
214 HH11 ARG 33 1HH1 ARG 33 4.019 -4.440 -9.193
215 HH12 ARG 33 2HH1 ARG 33 5.244 -5.497 -9.813
216 HH21 ARG 33 1HH2 ARG 33 7.393 -5.102 -7.079
217 HH22 ARG 33 2HH2 ARG 33 7.155 -5.873 -8.619
218 H CYS 34 H CYS 34 0.596 -1.940 -2.691
219 HA CYS 34 HA CYS 34 2.338 -2.508 -0.505
220 HB2 CYS 34 2HB CYS 34 -0.338 -3.804 -1.126
221 HB3 CYS 34 1HB CYS 34 0.489 -3.793 0.433
222 H GLU 35 H GLU 35 4.091 -3.585 -1.245
223 HA GLU 35 HA GLU 35 3.823 -6.137 -2.712
224 HB2 GLU 35 2HB GLU 35 5.259 -4.185 -3.559
225 HB3 GLU 35 1HB GLU 35 6.302 -4.445 -2.172
226 HG2 GLU 35 2HG GLU 35 6.731 -6.774 -3.041
227 HG3 GLU 35 1HG GLU 35 5.824 -6.338 -4.492
228 H ASN 36 H ASN 36 5.799 -7.694 -1.944
229 HA ASN 36 HA ASN 36 5.527 -8.255 0.852
230 HB2 ASN 36 2HB ASN 36 7.182 -10.046 0.463
231 HB3 ASN 36 1HB ASN 36 5.934 -10.070 -0.773
232 HD21 ASN 36 1HD2 ASN 36 9.300 -9.365 -0.117
233 HD22 ASN 36 2HD2 ASN 36 9.819 -9.325 -1.767
234 HA PRO 37 HA PRO 37 8.808 -5.608 2.539
235 HB2 PRO 37 2HB PRO 37 9.375 -7.959 4.328
236 HB3 PRO 37 1HB PRO 37 9.070 -6.260 4.760
237 HG2 PRO 37 2HG PRO 37 7.183 -8.074 5.150
238 HG3 PRO 37 1HG PRO 37 6.758 -6.473 4.505
239 HD2 PRO 37 2HD PRO 37 7.026 -9.084 3.023
240 HD3 PRO 37 1HD PRO 37 5.799 -7.805 2.845
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