Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
592369 | 2n2q RC | 25605 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 1HT ASP 1 17.046 -4.802 -10.678
2 H2 ASP 1 2HT ASP 1 16.523 -3.456 -11.534
3 H3 ASP 1 3HT ASP 1 17.995 -4.164 -11.899
4 HA ASP 1 HA ASP 1 16.228 -4.689 -13.504
5 HB2 ASP 1 2HB ASP 1 17.305 -7.035 -11.913
6 HB3 ASP 1 1HB ASP 1 16.511 -7.183 -13.473
7 H GLY 2 H GLY 2 15.684 -6.634 -10.553
8 HA2 GLY 2 2HA GLY 2 12.899 -5.933 -10.660
9 HA3 GLY 2 1HA GLY 2 13.287 -7.625 -10.956
10 H VAL 3 H VAL 3 13.742 -4.996 -8.663
11 HA VAL 3 HA VAL 3 14.585 -6.691 -6.558
12 HB VAL 3 HB VAL 3 15.008 -4.201 -6.594
13 HG11 VAL 3 1HG1 VAL 3 12.875 -3.391 -7.365
14 HG12 VAL 3 2HG1 VAL 3 13.315 -2.654 -5.816
15 HG13 VAL 3 3HG1 VAL 3 12.122 -3.947 -5.864
16 HG21 VAL 3 3HG2 VAL 3 15.314 -5.416 -4.535
17 HG22 VAL 3 1HG2 VAL 3 13.602 -5.237 -4.154
18 HG23 VAL 3 2HG2 VAL 3 14.649 -3.817 -4.199
19 H LYS 4 H LYS 4 13.396 -7.689 -4.942
20 HA LYS 4 HA LYS 4 10.682 -8.250 -5.774
21 HB2 LYS 4 2HB LYS 4 12.290 -9.506 -3.550
22 HB3 LYS 4 1HB LYS 4 10.819 -10.133 -4.275
23 HG2 LYS 4 2HG LYS 4 13.472 -9.826 -5.678
24 HG3 LYS 4 1HG LYS 4 12.795 -11.333 -5.071
25 HD2 LYS 4 2HD LYS 4 10.947 -11.170 -6.636
26 HD3 LYS 4 1HD LYS 4 11.518 -9.589 -7.174
27 HE2 LYS 4 2HE LYS 4 12.137 -11.333 -8.767
28 HE3 LYS 4 1HE LYS 4 13.559 -10.603 -8.033
29 HZ1 LYS 4 3HZ LYS 4 12.364 -13.193 -7.190
30 HZ2 LYS 4 1HZ LYS 4 13.772 -12.501 -6.587
31 HZ3 LYS 4 2HZ LYS 4 13.710 -13.032 -8.183
32 H LEU 5 H LEU 5 9.153 -6.947 -5.044
33 HA LEU 5 HA LEU 5 9.446 -5.929 -2.317
34 HB2 LEU 5 2HB LEU 5 7.648 -4.752 -4.444
35 HB3 LEU 5 1HB LEU 5 8.092 -4.110 -2.873
36 HG LEU 5 HG LEU 5 10.028 -4.460 -5.126
37 HD11 LEU 5 1HD1 LEU 5 8.609 -1.983 -4.154
38 HD12 LEU 5 2HD1 LEU 5 8.383 -2.777 -5.714
39 HD13 LEU 5 3HD1 LEU 5 9.922 -2.005 -5.332
40 HD21 LEU 5 3HD2 LEU 5 11.106 -4.529 -2.977
41 HD22 LEU 5 1HD2 LEU 5 10.257 -3.068 -2.461
42 HD23 LEU 5 2HD2 LEU 5 11.453 -2.985 -3.751
43 H CYS 6 H CYS 6 7.852 -6.172 -0.962
44 HA CYS 6 HA CYS 6 5.713 -8.020 -1.763
45 HB2 CYS 6 2HB CYS 6 6.900 -7.581 0.979
46 HB3 CYS 6 1HB CYS 6 5.671 -8.769 0.560
47 H ASP 7 H ASP 7 3.739 -7.248 -1.752
48 HA ASP 7 HA ASP 7 3.168 -4.596 -0.786
49 HB2 ASP 7 2HB ASP 7 1.332 -6.692 -1.997
50 HB3 ASP 7 1HB ASP 7 0.886 -5.027 -1.681
51 H VAL 8 H VAL 8 2.925 -4.364 1.314
52 HA VAL 8 HA VAL 8 1.539 -6.476 2.793
53 HB VAL 8 HB VAL 8 2.600 -5.634 4.854
54 HG11 VAL 8 1HG1 VAL 8 4.569 -6.199 2.648
55 HG12 VAL 8 2HG1 VAL 8 3.715 -7.394 3.620
56 HG13 VAL 8 3HG1 VAL 8 4.907 -6.333 4.373
57 HG21 VAL 8 3HG2 VAL 8 2.863 -3.276 4.258
58 HG22 VAL 8 1HG2 VAL 8 4.068 -3.704 3.044
59 HG23 VAL 8 2HG2 VAL 8 4.411 -3.961 4.755
60 HA PRO 9 HA PRO 9 -1.902 -3.833 3.253
61 HB2 PRO 9 2HB PRO 9 -3.040 -4.898 5.489
62 HB3 PRO 9 1HB PRO 9 -3.127 -5.664 3.901
63 HG2 PRO 9 2HG PRO 9 -1.314 -6.269 6.196
64 HG3 PRO 9 1HG PRO 9 -2.138 -7.385 5.094
65 HD2 PRO 9 2HD PRO 9 0.484 -6.738 4.847
66 HD3 PRO 9 1HD PRO 9 -0.540 -7.140 3.455
67 H SER 10 H SER 10 -2.439 -1.959 4.241
68 HA SER 10 HA SER 10 -0.670 -1.023 6.307
69 HB2 SER 10 2HB SER 10 -1.865 1.156 5.762
70 HB3 SER 10 1HB SER 10 -0.927 0.442 4.446
71 HG SER 10 HG SER 10 -2.715 -0.037 3.399
72 H GLY 11 H GLY 11 -1.340 -0.399 8.335
73 HA2 GLY 11 2HA GLY 11 -4.068 -1.097 9.121
74 HA3 GLY 11 1HA GLY 11 -2.708 -0.816 10.208
75 H THR 12 H THR 12 -1.985 1.537 8.457
76 HA THR 12 HA THR 12 -3.325 3.557 9.899
77 HB THR 12 HB THR 12 -1.977 4.932 8.156
78 HG1 THR 12 1HG THR 12 -0.577 3.787 6.942
79 HG21 THR 12 3HG2 THR 12 -1.269 4.617 10.494
80 HG22 THR 12 1HG2 THR 12 0.117 4.508 9.412
81 HG23 THR 12 2HG2 THR 12 -0.596 3.041 10.089
82 H TRP 13 H TRP 13 -3.145 2.706 6.470
83 HA TRP 13 HA TRP 13 -5.290 4.464 5.740
84 HB2 TRP 13 2HB TRP 13 -3.295 3.851 4.282
85 HB3 TRP 13 1HB TRP 13 -4.026 2.269 4.085
86 HD1 TRP 13 HD TRP 13 -6.758 2.553 3.034
87 HE1 TRP 13 1HE TRP 13 -7.416 4.012 0.970
88 HE3 TRP 13 3HE TRP 13 -2.730 5.673 2.879
89 HZ2 TRP 13 2HZ TRP 13 -6.346 6.121 -0.506
90 HZ3 TRP 13 3HZ TRP 13 -2.613 7.376 1.103
91 HH2 TRP 13 HH TRP 13 -4.390 7.585 -0.554
92 H SER 14 H SER 14 -7.407 3.893 5.483
93 HA SER 14 HA SER 14 -8.163 1.113 5.310
94 HB2 SER 14 2HB SER 14 -9.243 2.984 7.449
95 HB3 SER 14 1HB SER 14 -9.865 1.370 7.104
96 HG SER 14 HG SER 14 -7.209 1.282 7.451
97 H GLY 15 H GLY 15 -10.377 0.913 4.539
98 HA2 GLY 15 2HA GLY 15 -12.389 1.866 3.711
99 HA3 GLY 15 1HA GLY 15 -11.540 3.391 3.495
100 H HIS 16 H HIS 16 -10.685 3.839 1.571
101 HA HIS 16 HA HIS 16 -10.458 1.699 -0.406
102 HB2 HIS 16 2HB HIS 16 -12.650 2.714 -0.760
103 HB3 HIS 16 1HB HIS 16 -11.945 4.320 -0.742
104 HD1 HIS 16 1HD HIS 16 -12.412 1.323 -2.995
105 HD2 HIS 16 2HD HIS 16 -10.794 5.152 -3.102
106 HE1 HIS 16 1HE HIS 16 -11.848 1.793 -5.415
107 H CYS 17 H CYS 17 -8.839 1.984 -1.847
108 HA CYS 17 HA CYS 17 -7.060 4.309 -1.501
109 HB2 CYS 17 2HB CYS 17 -6.129 2.001 -1.052
110 HB3 CYS 17 1HB CYS 17 -6.443 1.612 -2.734
111 H GLY 18 H GLY 18 -7.696 5.780 -3.020
112 HA2 GLY 18 2HA GLY 18 -8.455 4.773 -5.668
113 HA3 GLY 18 1HA GLY 18 -8.857 6.357 -5.025
114 H SER 19 H SER 19 -5.978 6.439 -4.023
115 HA SER 19 HA SER 19 -4.735 6.984 -6.596
116 HB2 SER 19 2HB SER 19 -3.651 9.015 -5.512
117 HB3 SER 19 1HB SER 19 -5.377 9.144 -5.835
118 HG SER 19 HG SER 19 -5.451 8.256 -3.518
119 H SER 20 H SER 20 -3.011 5.790 -6.856
120 HA SER 20 HA SER 20 -1.845 4.432 -4.686
121 HB2 SER 20 2HB SER 20 -0.268 3.648 -6.577
122 HB3 SER 20 1HB SER 20 -1.975 3.203 -6.662
123 HG SER 20 HG SER 20 -0.528 5.079 -8.143
124 H SER 21 H SER 21 -1.219 7.412 -6.334
125 HA SER 21 HA SER 21 1.493 7.720 -5.667
126 HB2 SER 21 2HB SER 21 0.915 10.145 -6.086
127 HB3 SER 21 1HB SER 21 0.515 9.036 -7.403
128 HG SER 21 HG SER 21 -1.147 10.542 -6.806
129 H LYS 22 H LYS 22 -1.528 8.621 -4.087
130 HA LYS 22 HA LYS 22 -0.154 9.804 -1.877
131 HB2 LYS 22 2HB LYS 22 -3.080 9.123 -2.190
132 HB3 LYS 22 1HB LYS 22 -2.404 9.994 -0.817
133 HG2 LYS 22 2HG LYS 22 -1.578 11.726 -2.388
134 HG3 LYS 22 1HG LYS 22 -2.407 10.882 -3.692
135 HD2 LYS 22 2HD LYS 22 -4.544 11.220 -2.543
136 HD3 LYS 22 1HD LYS 22 -3.704 12.063 -1.236
137 HE2 LYS 22 2HE LYS 22 -2.883 13.714 -2.888
138 HE3 LYS 22 1HE LYS 22 -3.832 12.901 -4.128
139 HZ1 LYS 22 3HZ LYS 22 -5.842 13.432 -2.855
140 HZ2 LYS 22 1HZ LYS 22 -4.987 14.821 -3.255
141 HZ3 LYS 22 2HZ LYS 22 -4.910 14.221 -1.698
142 H CYS 23 H CYS 23 -1.651 6.727 -2.544
143 HA CYS 23 HA CYS 23 -1.378 5.494 -0.062
144 HB2 CYS 23 2HB CYS 23 -2.488 4.345 -1.881
145 HB3 CYS 23 1HB CYS 23 -1.023 4.398 -2.850
146 H SER 24 H SER 24 1.002 5.672 -2.722
147 HA SER 24 HA SER 24 3.038 4.424 -1.289
148 HB2 SER 24 2HB SER 24 4.534 5.445 -3.079
149 HB3 SER 24 1HB SER 24 3.217 4.400 -3.617
150 HG SER 24 HG SER 24 2.156 6.064 -4.384
151 H GLN 25 H GLN 25 2.248 7.861 -1.686
152 HA GLN 25 HA GLN 25 4.436 8.862 -0.273
153 HB2 GLN 25 2HB GLN 25 2.974 10.361 -1.521
154 HB3 GLN 25 1HB GLN 25 1.624 9.966 -0.466
155 HG2 GLN 25 2HG GLN 25 2.600 12.157 0.043
156 HG3 GLN 25 1HG GLN 25 2.716 11.045 1.407
157 HE21 GLN 25 1HE2 GLN 25 4.416 12.131 2.328
158 HE22 GLN 25 2HE2 GLN 25 6.015 12.097 1.693
159 H GLN 26 H GLN 26 1.276 7.776 0.844
160 HA GLN 26 HA GLN 26 1.572 8.362 3.537
161 HB2 GLN 26 2HB GLN 26 -0.574 7.730 2.538
162 HB3 GLN 26 1HB GLN 26 0.020 6.119 2.216
163 HG2 GLN 26 2HG GLN 26 -0.117 7.163 5.023
164 HG3 GLN 26 1HG GLN 26 -1.552 6.519 4.252
165 HE21 GLN 26 1HE2 GLN 26 -0.138 4.414 2.788
166 HE22 GLN 26 2HE2 GLN 26 0.359 3.266 3.953
167 H CYS 27 H CYS 27 2.433 5.402 1.801
168 HA CYS 27 HA CYS 27 3.356 4.053 4.078
169 HB2 CYS 27 2HB CYS 27 4.104 3.630 1.185
170 HB3 CYS 27 1HB CYS 27 4.475 2.513 2.496
171 H LYS 28 H LYS 28 5.098 6.132 1.800
172 HA LYS 28 HA LYS 28 7.695 5.680 2.931
173 HB2 LYS 28 2HB LYS 28 6.672 8.012 1.312
174 HB3 LYS 28 1HB LYS 28 8.357 7.656 1.647
175 HG2 LYS 28 2HG LYS 28 8.282 5.691 0.321
176 HG3 LYS 28 1HG LYS 28 6.531 5.817 0.142
177 HD2 LYS 28 2HD LYS 28 6.872 7.999 -0.991
178 HD3 LYS 28 1HD LYS 28 8.611 7.736 -0.911
179 HE2 LYS 28 2HE LYS 28 8.373 5.726 -2.274
180 HE3 LYS 28 1HE LYS 28 6.628 5.963 -2.326
181 HZ1 LYS 28 3HZ LYS 28 8.684 7.763 -3.487
182 HZ2 LYS 28 1HZ LYS 28 7.031 8.096 -3.466
183 HZ3 LYS 28 2HZ LYS 28 7.612 6.781 -4.329
184 H ASP 29 H ASP 29 5.100 7.903 3.512
185 HA ASP 29 HA ASP 29 6.579 9.717 5.164
186 HB2 ASP 29 2HB ASP 29 4.659 10.482 3.896
187 HB3 ASP 29 1HB ASP 29 3.617 9.346 4.737
188 H ARG 30 H ARG 30 4.195 7.190 5.749
189 HA ARG 30 HA ARG 30 4.221 7.569 8.563
190 HB2 ARG 30 2HB ARG 30 2.929 5.625 6.723
191 HB3 ARG 30 1HB ARG 30 3.062 5.194 8.414
192 HG2 ARG 30 2HG ARG 30 0.889 6.191 7.827
193 HG3 ARG 30 1HG ARG 30 1.747 7.101 9.060
194 HD2 ARG 30 2HD ARG 30 2.377 8.775 7.432
195 HD3 ARG 30 1HD ARG 30 1.684 7.815 6.125
196 HE ARG 30 HE ARG 30 -0.428 8.073 7.595
197 HH11 ARG 30 1HH1 ARG 30 1.975 10.661 7.069
198 HH12 ARG 30 2HH1 ARG 30 0.830 11.902 7.130
199 HH21 ARG 30 1HH2 ARG 30 -1.995 9.840 7.644
200 HH22 ARG 30 2HH2 ARG 30 -1.447 11.441 7.444
201 H GLU 31 H GLU 31 5.728 5.152 6.402
202 HA GLU 31 HA GLU 31 7.311 4.391 8.709
203 HB2 GLU 31 2HB GLU 31 5.853 2.508 6.858
204 HB3 GLU 31 1HB GLU 31 7.106 1.995 7.979
205 HG2 GLU 31 2HG GLU 31 5.787 2.751 9.858
206 HG3 GLU 31 1HG GLU 31 4.559 3.381 8.771
207 H HIS 32 H HIS 32 8.764 2.408 7.436
208 HA HIS 32 HA HIS 32 10.599 4.149 6.003
209 HB2 HIS 32 2HB HIS 32 10.994 1.340 7.065
210 HB3 HIS 32 1HB HIS 32 12.252 2.398 6.450
211 HD1 HIS 32 1HD HIS 32 13.322 4.030 8.166
212 HD2 HIS 32 2HD HIS 32 9.902 2.122 9.589
213 HE1 HIS 32 1HE HIS 32 13.200 4.548 10.617
214 H PHE 33 H PHE 33 8.184 3.038 4.641
215 HA PHE 33 HA PHE 33 9.310 1.025 2.873
216 HB2 PHE 33 2HB PHE 33 6.530 2.220 2.847
217 HB3 PHE 33 1HB PHE 33 7.074 0.855 1.883
218 HD1 PHE 33 1HD PHE 33 8.063 -1.145 3.326
219 HD2 PHE 33 2HD PHE 33 5.359 1.803 4.756
220 HE1 PHE 33 1HE PHE 33 7.333 -2.677 5.130
221 HE2 PHE 33 2HE PHE 33 4.643 0.284 6.541
222 HZ PHE 33 HZ PHE 33 5.631 -1.959 6.722
223 H ALA 34 H ALA 34 10.864 2.437 2.074
224 HA ALA 34 HA ALA 34 10.353 4.867 0.771
225 HB1 ALA 34 1HB ALA 34 12.597 4.684 -0.123
226 HB2 ALA 34 2HB ALA 34 12.642 2.972 0.292
227 HB3 ALA 34 3HB ALA 34 12.565 4.187 1.569
228 H TYR 35 H TYR 35 9.786 1.676 -0.296
229 HA TYR 35 HA TYR 35 9.856 2.370 -3.096
230 HB2 TYR 35 2HB TYR 35 8.966 -0.198 -1.764
231 HB3 TYR 35 1HB TYR 35 9.161 0.044 -3.499
232 HD1 TYR 35 1HD TYR 35 11.450 0.577 -4.390
233 HD2 TYR 35 2HD TYR 35 10.779 -0.759 -0.438
234 HE1 TYR 35 1HE TYR 35 13.838 0.015 -4.207
235 HE2 TYR 35 2HE TYR 35 13.172 -1.315 -0.205
236 HH TYR 35 HH TYR 35 15.086 -1.888 -1.733
237 H GLY 36 H GLY 36 7.761 2.932 -0.658
238 HA2 GLY 36 2HA GLY 36 5.787 4.086 -0.863
239 HA3 GLY 36 1HA GLY 36 5.767 3.690 -2.574
240 H GLY 37 H GLY 37 3.946 2.709 -3.011
241 HA2 GLY 37 2HA GLY 37 3.198 0.260 -1.968
242 HA3 GLY 37 1HA GLY 37 2.289 1.535 -1.158
243 H ALA 38 H ALA 38 0.817 -0.093 -2.589
244 HA ALA 38 HA ALA 38 -0.009 1.571 -4.822
245 HB1 ALA 38 1HB ALA 38 -0.252 -0.377 -6.309
246 HB2 ALA 38 2HB ALA 38 0.506 -1.397 -5.085
247 HB3 ALA 38 3HB ALA 38 1.433 -0.111 -5.859
248 H CYS 39 H CYS 39 -2.187 0.907 -5.555
249 HA CYS 39 HA CYS 39 -3.797 0.235 -3.246
250 HB2 CYS 39 2HB CYS 39 -4.588 1.102 -6.044
251 HB3 CYS 39 1HB CYS 39 -5.683 0.923 -4.689
252 H HIS 40 H HIS 40 -4.291 -1.831 -2.918
253 HA HIS 40 HA HIS 40 -4.350 -3.662 -5.216
254 HB2 HIS 40 2HB HIS 40 -2.323 -3.966 -3.825
255 HB3 HIS 40 1HB HIS 40 -3.320 -4.150 -2.399
256 HD1 HIS 40 1HD HIS 40 -1.990 -6.029 -5.349
257 HD2 HIS 40 2HD HIS 40 -4.501 -6.669 -2.103
258 HE1 HIS 40 1HE HIS 40 -2.257 -8.521 -5.173
259 H TYR 41 H TYR 41 -6.042 -5.116 -5.249
260 HA TYR 41 HA TYR 41 -8.314 -4.347 -3.657
261 HB2 TYR 41 2HB TYR 41 -8.485 -4.864 -6.116
262 HB3 TYR 41 1HB TYR 41 -8.171 -6.549 -5.720
263 HD1 TYR 41 1HD TYR 41 -9.897 -7.889 -4.494
264 HD2 TYR 41 2HD TYR 41 -10.613 -3.842 -5.614
265 HE1 TYR 41 1HE TYR 41 -12.283 -8.194 -4.088
266 HE2 TYR 41 2HE TYR 41 -12.984 -4.138 -5.203
267 HH TYR 41 HH TYR 41 -14.293 -6.803 -3.578
268 H GLN 42 H GLN 42 -9.028 -5.276 -1.981
269 HA GLN 42 HA GLN 42 -8.391 -8.031 -1.371
270 HB2 GLN 42 2HB GLN 42 -6.792 -6.575 -0.117
271 HB3 GLN 42 1HB GLN 42 -8.145 -5.655 0.516
272 HG2 GLN 42 2HG GLN 42 -8.929 -7.602 1.724
273 HG3 GLN 42 1HG GLN 42 -7.622 -8.573 1.062
274 HE21 GLN 42 1HE2 GLN 42 -6.824 -9.023 3.093
275 HE22 GLN 42 2HE2 GLN 42 -6.004 -7.855 4.059
276 H PHE 43 H PHE 43 -10.084 -8.705 0.306
277 HA PHE 43 HA PHE 43 -12.558 -7.567 -0.448
278 HB2 PHE 43 2HB PHE 43 -12.231 -10.004 0.082
279 HB3 PHE 43 1HB PHE 43 -12.002 -9.563 1.767
280 HD1 PHE 43 2HD PHE 43 -14.410 -9.796 -0.987
281 HD2 PHE 43 1HD PHE 43 -13.892 -9.051 3.167
282 HE1 PHE 43 2HE PHE 43 -16.836 -10.008 -0.646
283 HE2 PHE 43 1HE PHE 43 -16.307 -9.268 3.515
284 HZ PHE 43 HZ PHE 43 -17.789 -9.746 1.600
285 HA PRO 44 HA PRO 44 -14.254 -6.782 -0.046
286 HB2 PRO 44 2HB PRO 44 -15.913 -4.745 0.790
287 HB3 PRO 44 1HB PRO 44 -15.984 -6.419 1.338
288 HG2 PRO 44 2HG PRO 44 -15.310 -4.144 2.920
289 HG3 PRO 44 1HG PRO 44 -15.215 -5.844 3.395
290 HD2 PRO 44 2HD PRO 44 -13.076 -4.045 2.352
291 HD3 PRO 44 1HD PRO 44 -12.964 -5.358 3.549
292 H SER 45 H SER 45 -12.027 -4.273 0.279
293 HA SER 45 HA SER 45 -12.926 -3.054 -2.194
294 HB2 SER 45 2HB SER 45 -12.485 -1.466 0.341
295 HB3 SER 45 1HB SER 45 -12.672 -0.757 -1.261
296 HG SER 45 HG SER 45 -14.661 -2.304 -1.121
297 H VAL 46 H VAL 46 -11.305 -1.495 -3.037
298 HA VAL 46 HA VAL 46 -8.679 -2.574 -3.034
299 HB VAL 46 HB VAL 46 -9.583 0.167 -3.988
300 HG11 VAL 46 1HG1 VAL 46 -7.178 -1.480 -4.749
301 HG12 VAL 46 2HG1 VAL 46 -7.172 -0.081 -3.685
302 HG13 VAL 46 3HG1 VAL 46 -7.603 0.112 -5.391
303 HG21 VAL 46 3HG2 VAL 46 -9.258 -2.359 -5.565
304 HG22 VAL 46 1HG2 VAL 46 -9.789 -0.803 -6.188
305 HG23 VAL 46 2HG2 VAL 46 -10.822 -1.700 -5.061
306 H LYS 47 H LYS 47 -7.162 -2.293 -1.547
307 HA LYS 47 HA LYS 47 -7.371 0.046 0.215
308 HB2 LYS 47 2HB LYS 47 -8.045 -2.114 1.279
309 HB3 LYS 47 1HB LYS 47 -6.453 -2.754 0.938
310 HG2 LYS 47 2HG LYS 47 -5.461 -1.104 2.431
311 HG3 LYS 47 1HG LYS 47 -7.059 -0.421 2.744
312 HD2 LYS 47 2HD LYS 47 -7.790 -2.572 3.672
313 HD3 LYS 47 1HD LYS 47 -6.185 -3.241 3.370
314 HE2 LYS 47 2HE LYS 47 -5.209 -1.593 4.877
315 HE3 LYS 47 1HE LYS 47 -6.803 -0.901 5.162
316 HZ1 LYS 47 3HZ LYS 47 -5.990 -3.676 5.871
317 HZ2 LYS 47 1HZ LYS 47 -7.492 -2.975 6.162
318 HZ3 LYS 47 2HZ LYS 47 -6.118 -2.386 6.928
319 H CYS 48 H CYS 48 -5.223 0.634 1.172
320 HA CYS 48 HA CYS 48 -3.219 0.701 -0.901
321 HB2 CYS 48 2HB CYS 48 -3.740 2.738 0.314
322 HB3 CYS 48 1HB CYS 48 -3.403 1.956 1.846
323 H PHE 49 H PHE 49 -1.530 -0.620 -1.005
324 HA PHE 49 HA PHE 49 -0.704 -2.060 1.407
325 HB2 PHE 49 2HB PHE 49 -0.834 -3.053 -1.454
326 HB3 PHE 49 1HB PHE 49 0.149 -3.812 -0.215
327 HD1 PHE 49 1HD PHE 49 -3.412 -2.706 -0.646
328 HD2 PHE 49 2HD PHE 49 -0.705 -5.632 0.822
329 HE1 PHE 49 1HE PHE 49 -5.308 -4.117 0.044
330 HE2 PHE 49 2HE PHE 49 -2.589 -7.030 1.522
331 HZ PHE 49 HZ PHE 49 -4.895 -6.275 1.137
332 H CYS 50 H CYS 50 1.280 -1.721 1.970
333 HA CYS 50 HA CYS 50 2.896 0.137 0.443
334 HB2 CYS 50 2HB CYS 50 3.370 -1.145 3.135
335 HB3 CYS 50 1HB CYS 50 4.305 0.175 2.442
336 H LYS 51 H LYS 51 4.905 -0.320 -0.419
337 HA LYS 51 HA LYS 51 5.427 -3.174 -0.788
338 HB2 LYS 51 2HB LYS 51 6.573 -0.832 -2.324
339 HB3 LYS 51 1HB LYS 51 6.894 -2.511 -2.613
340 HG2 LYS 51 2HG LYS 51 4.561 -2.961 -3.160
341 HG3 LYS 51 1HG LYS 51 4.166 -1.265 -2.896
342 HD2 LYS 51 2HD LYS 51 5.651 -0.618 -4.712
343 HD3 LYS 51 1HD LYS 51 6.128 -2.298 -4.942
344 HE2 LYS 51 2HE LYS 51 3.332 -1.206 -5.298
345 HE3 LYS 51 1HE LYS 51 4.460 -1.559 -6.603
346 HZ1 LYS 51 3HZ LYS 51 3.189 -3.528 -4.751
347 HZ2 LYS 51 1HZ LYS 51 4.433 -3.920 -5.832
348 HZ3 LYS 51 2HZ LYS 51 2.961 -3.368 -6.391
349 H ARG 52 H ARG 52 6.677 -3.947 0.677
350 HA ARG 52 HA ARG 52 9.045 -2.407 1.467
351 HB2 ARG 52 2HB ARG 52 9.432 -4.105 3.197
352 HB3 ARG 52 1HB ARG 52 7.815 -3.431 3.340
353 HG2 ARG 52 2HG ARG 52 6.794 -5.383 2.657
354 HG3 ARG 52 1HG ARG 52 8.231 -5.951 1.807
355 HD2 ARG 52 2HD ARG 52 8.069 -5.674 4.801
356 HD3 ARG 52 1HD ARG 52 7.693 -7.164 3.932
357 HE ARG 52 HE ARG 52 10.188 -6.447 3.038
358 HH11 ARG 52 1HH1 ARG 52 8.876 -7.104 6.275
359 HH12 ARG 52 2HH1 ARG 52 10.326 -7.721 6.883
360 HH21 ARG 52 1HH2 ARG 52 12.163 -7.359 3.859
361 HH22 ARG 52 2HH2 ARG 52 12.251 -7.900 5.457
362 H GLN 53 H GLN 53 11.100 -3.592 1.467
363 HA GLN 53 HA GLN 53 11.229 -5.143 -0.971
364 HB2 GLN 53 2HB GLN 53 12.832 -3.275 -0.407
365 HB3 GLN 53 1HB GLN 53 13.490 -4.327 0.842
366 HG2 GLN 53 2HG GLN 53 13.898 -6.020 -1.033
367 HG3 GLN 53 1HG GLN 53 13.458 -4.694 -2.097
368 HE21 GLN 53 1HE2 GLN 53 16.019 -6.143 -1.668
369 HE22 GLN 53 2HE2 GLN 53 17.173 -4.884 -1.431
370 H CYS 54 H CYS 54 11.642 -7.288 -0.967
371 HA CYS 54 HA CYS 54 12.145 -8.466 1.637
372 HB2 CYS 54 2HB CYS 54 10.662 -9.615 -0.742
373 HB3 CYS 54 1HB CYS 54 11.085 -10.539 0.700
Start of MODEL 2
1 H1 ASP 1 1HT ASP 1 10.485 -10.354 -12.263
2 H2 ASP 1 2HT ASP 1 10.771 -8.708 -12.558
3 H3 ASP 1 3HT ASP 1 10.494 -9.225 -11.002
4 HA ASP 1 HA ASP 1 12.535 -10.481 -11.011
5 HB2 ASP 1 2HB ASP 1 14.111 -10.214 -12.860
6 HB3 ASP 1 1HB ASP 1 12.598 -10.849 -13.489
7 H GLY 2 H GLY 2 14.782 -9.177 -11.062
8 HA2 GLY 2 2HA GLY 2 15.919 -7.253 -10.485
9 HA3 GLY 2 1HA GLY 2 14.417 -6.338 -10.643
10 H VAL 3 H VAL 3 14.166 -5.357 -8.709
11 HA VAL 3 HA VAL 3 14.626 -6.910 -6.352
12 HB VAL 3 HB VAL 3 14.046 -4.906 -5.093
13 HG11 VAL 3 1HG1 VAL 3 16.331 -5.105 -5.806
14 HG12 VAL 3 2HG1 VAL 3 15.849 -3.407 -5.845
15 HG13 VAL 3 3HG1 VAL 3 15.953 -4.331 -7.344
16 HG21 VAL 3 3HG2 VAL 3 12.296 -3.965 -6.485
17 HG22 VAL 3 1HG2 VAL 3 13.461 -3.614 -7.760
18 HG23 VAL 3 2HG2 VAL 3 13.553 -2.758 -6.222
19 H LYS 4 H LYS 4 13.100 -7.812 -5.150
20 HA LYS 4 HA LYS 4 10.397 -7.769 -6.217
21 HB2 LYS 4 2HB LYS 4 11.821 -9.682 -4.378
22 HB3 LYS 4 1HB LYS 4 10.071 -9.651 -4.455
23 HG2 LYS 4 2HG LYS 4 10.903 -11.415 -5.860
24 HG3 LYS 4 1HG LYS 4 10.179 -10.165 -6.861
25 HD2 LYS 4 2HD LYS 4 12.204 -10.925 -7.922
26 HD3 LYS 4 1HD LYS 4 12.481 -9.302 -7.302
27 HE2 LYS 4 2HE LYS 4 13.636 -10.202 -5.376
28 HE3 LYS 4 1HE LYS 4 13.293 -11.845 -5.908
29 HZ1 LYS 4 3HZ LYS 4 14.947 -9.866 -7.374
30 HZ2 LYS 4 1HZ LYS 4 14.608 -11.440 -7.876
31 HZ3 LYS 4 2HZ LYS 4 15.515 -11.203 -6.492
32 H LEU 5 H LEU 5 8.687 -7.141 -5.029
33 HA LEU 5 HA LEU 5 9.404 -5.781 -2.546
34 HB2 LEU 5 2HB LEU 5 7.236 -4.922 -4.470
35 HB3 LEU 5 1HB LEU 5 7.797 -4.087 -3.028
36 HG LEU 5 HG LEU 5 9.451 -4.528 -5.493
37 HD11 LEU 5 1HD1 LEU 5 9.161 -2.121 -5.893
38 HD12 LEU 5 2HD1 LEU 5 8.024 -2.047 -4.549
39 HD13 LEU 5 3HD1 LEU 5 7.642 -3.006 -5.984
40 HD21 LEU 5 3HD2 LEU 5 10.941 -2.825 -4.471
41 HD22 LEU 5 1HD2 LEU 5 10.834 -4.336 -3.569
42 HD23 LEU 5 2HD2 LEU 5 9.959 -2.908 -3.007
43 H CYS 6 H CYS 6 8.112 -6.043 -0.914
44 HA CYS 6 HA CYS 6 5.974 -8.031 -1.185
45 HB2 CYS 6 2HB CYS 6 7.359 -7.085 1.341
46 HB3 CYS 6 1HB CYS 6 6.196 -8.398 1.220
47 H ASP 7 H ASP 7 3.995 -7.296 -1.109
48 HA ASP 7 HA ASP 7 3.542 -4.497 -0.453
49 HB2 ASP 7 2HB ASP 7 1.656 -6.548 -1.620
50 HB3 ASP 7 1HB ASP 7 1.356 -4.824 -1.511
51 H VAL 8 H VAL 8 3.218 -4.205 1.630
52 HA VAL 8 HA VAL 8 1.685 -6.229 3.075
53 HB VAL 8 HB VAL 8 2.567 -5.302 5.172
54 HG11 VAL 8 1HG1 VAL 8 4.704 -5.843 3.129
55 HG12 VAL 8 2HG1 VAL 8 3.862 -7.041 4.120
56 HG13 VAL 8 3HG1 VAL 8 4.942 -5.860 4.871
57 HG21 VAL 8 3HG2 VAL 8 4.298 -3.561 5.180
58 HG22 VAL 8 1HG2 VAL 8 2.774 -2.963 4.518
59 HG23 VAL 8 2HG2 VAL 8 4.107 -3.376 3.434
60 HA PRO 9 HA PRO 9 -1.827 -3.624 3.005
61 HB2 PRO 9 2HB PRO 9 -3.113 -4.578 5.250
62 HB3 PRO 9 1HB PRO 9 -3.164 -5.357 3.669
63 HG2 PRO 9 2HG PRO 9 -1.510 -6.027 6.057
64 HG3 PRO 9 1HG PRO 9 -2.257 -7.109 4.869
65 HD2 PRO 9 2HD PRO 9 0.389 -6.496 4.866
66 HD3 PRO 9 1HD PRO 9 -0.500 -6.876 3.384
67 H SER 10 H SER 10 -1.753 -1.536 3.531
68 HA SER 10 HA SER 10 -0.531 -0.678 5.966
69 HB2 SER 10 2HB SER 10 -0.322 0.584 3.803
70 HB3 SER 10 1HB SER 10 -2.048 0.941 3.904
71 HG SER 10 HG SER 10 -1.164 2.648 4.833
72 H GLY 11 H GLY 11 -1.570 -0.664 7.820
73 HA2 GLY 11 2HA GLY 11 -4.375 -1.077 8.030
74 HA3 GLY 11 1HA GLY 11 -3.252 -0.773 9.350
75 H THR 12 H THR 12 -2.332 1.747 8.006
76 HA THR 12 HA THR 12 -4.213 3.455 9.240
77 HB THR 12 HB THR 12 -2.553 5.135 7.932
78 HG1 THR 12 1HG THR 12 -0.649 3.256 8.552
79 HG21 THR 12 3HG2 THR 12 -2.896 5.066 10.357
80 HG22 THR 12 1HG2 THR 12 -1.178 5.135 9.969
81 HG23 THR 12 2HG2 THR 12 -1.909 3.606 10.463
82 H TRP 13 H TRP 13 -4.150 2.057 6.210
83 HA TRP 13 HA TRP 13 -5.682 4.262 5.072
84 HB2 TRP 13 2HB TRP 13 -3.848 3.150 3.706
85 HB3 TRP 13 1HB TRP 13 -4.872 1.713 3.665
86 HD1 TRP 13 HD TRP 13 -7.261 1.983 2.356
87 HE1 TRP 13 1HE TRP 13 -7.939 3.548 0.412
88 HE3 TRP 13 3HE TRP 13 -3.421 5.318 2.626
89 HZ2 TRP 13 2HZ TRP 13 -6.946 5.882 -0.839
90 HZ3 TRP 13 3HZ TRP 13 -3.341 7.173 1.022
91 HH2 TRP 13 HH TRP 13 -5.083 7.439 -0.683
92 H SER 14 H SER 14 -7.794 4.156 5.117
93 HA SER 14 HA SER 14 -9.092 1.556 5.396
94 HB2 SER 14 2HB SER 14 -9.142 2.844 7.534
95 HB3 SER 14 1HB SER 14 -9.895 4.188 6.684
96 HG SER 14 HG SER 14 -11.120 2.336 7.899
97 H GLY 15 H GLY 15 -10.875 1.305 4.058
98 HA2 GLY 15 2HA GLY 15 -12.566 1.997 2.625
99 HA3 GLY 15 1HA GLY 15 -11.842 3.599 2.560
100 H HIS 16 H HIS 16 -12.265 3.308 0.262
101 HA HIS 16 HA HIS 16 -10.759 1.457 -1.297
102 HB2 HIS 16 2HB HIS 16 -12.872 2.368 -2.135
103 HB3 HIS 16 1HB HIS 16 -12.243 4.002 -2.048
104 HD1 HIS 16 1HD HIS 16 -12.103 0.887 -4.197
105 HD2 HIS 16 2HD HIS 16 -10.693 4.795 -4.206
106 HE1 HIS 16 1HE HIS 16 -11.194 1.298 -6.508
107 H CYS 17 H CYS 17 -8.909 1.795 -2.470
108 HA CYS 17 HA CYS 17 -7.325 4.171 -1.805
109 HB2 CYS 17 2HB CYS 17 -6.421 1.895 -1.164
110 HB3 CYS 17 1HB CYS 17 -6.371 1.495 -2.869
111 H GLY 18 H GLY 18 -7.873 5.589 -3.408
112 HA2 GLY 18 2HA GLY 18 -7.858 4.556 -6.151
113 HA3 GLY 18 1HA GLY 18 -8.613 6.061 -5.645
114 H SER 19 H SER 19 -6.610 7.182 -4.165
115 HA SER 19 HA SER 19 -4.861 8.039 -6.260
116 HB2 SER 19 2HB SER 19 -5.038 8.898 -3.378
117 HB3 SER 19 1HB SER 19 -4.129 9.713 -4.648
118 HG SER 19 HG SER 19 -6.717 9.323 -5.357
119 H SER 20 H SER 20 -3.293 6.650 -6.669
120 HA SER 20 HA SER 20 -2.100 4.894 -4.834
121 HB2 SER 20 2HB SER 20 -2.226 4.619 -7.342
122 HB3 SER 20 1HB SER 20 -0.965 5.837 -7.480
123 HG SER 20 HG SER 20 0.485 4.453 -6.585
124 H SER 21 H SER 21 -1.357 8.192 -5.839
125 HA SER 21 HA SER 21 1.263 8.214 -4.779
126 HB2 SER 21 2HB SER 21 -0.567 10.528 -5.431
127 HB3 SER 21 1HB SER 21 1.192 10.588 -5.274
128 HG SER 21 HG SER 21 0.540 10.434 -7.433
129 H LYS 22 H LYS 22 -1.906 8.769 -3.412
130 HA LYS 22 HA LYS 22 -0.915 10.025 -1.014
131 HB2 LYS 22 2HB LYS 22 -3.568 8.667 -1.543
132 HB3 LYS 22 1HB LYS 22 -3.173 9.484 -0.043
133 HG2 LYS 22 2HG LYS 22 -2.909 11.593 -1.358
134 HG3 LYS 22 1HG LYS 22 -3.498 10.709 -2.771
135 HD2 LYS 22 2HD LYS 22 -5.575 10.181 -1.561
136 HD3 LYS 22 1HD LYS 22 -4.988 11.092 -0.172
137 HE2 LYS 22 2HE LYS 22 -6.524 12.472 -1.407
138 HE3 LYS 22 1HE LYS 22 -4.899 13.119 -1.602
139 HZ1 LYS 22 3HZ LYS 22 -4.792 12.149 -3.811
140 HZ2 LYS 22 1HZ LYS 22 -6.188 13.064 -3.676
141 HZ3 LYS 22 2HZ LYS 22 -6.285 11.401 -3.606
142 H CYS 23 H CYS 23 -1.659 6.837 -2.122
143 HA CYS 23 HA CYS 23 -1.335 5.425 0.281
144 HB2 CYS 23 2HB CYS 23 -2.442 4.440 -1.647
145 HB3 CYS 23 1HB CYS 23 -0.983 4.601 -2.610
146 H SER 24 H SER 24 0.987 6.150 -2.391
147 HA SER 24 HA SER 24 3.130 4.913 -1.131
148 HB2 SER 24 2HB SER 24 4.486 6.380 -2.725
149 HB3 SER 24 1HB SER 24 3.325 5.267 -3.452
150 HG SER 24 HG SER 24 3.432 7.609 -4.109
151 H GLN 25 H GLN 25 1.973 8.246 -1.039
152 HA GLN 25 HA GLN 25 4.037 9.308 0.522
153 HB2 GLN 25 2HB GLN 25 2.275 10.676 -0.580
154 HB3 GLN 25 1HB GLN 25 1.115 10.081 0.600
155 HG2 GLN 25 2HG GLN 25 2.429 11.105 2.396
156 HG3 GLN 25 1HG GLN 25 3.559 11.729 1.198
157 HE21 GLN 25 1HE2 GLN 25 3.159 13.825 1.777
158 HE22 GLN 25 2HE2 GLN 25 1.707 14.649 1.382
159 H GLN 26 H GLN 26 1.012 7.715 1.451
160 HA GLN 26 HA GLN 26 1.203 8.025 4.218
161 HB2 GLN 26 2HB GLN 26 -0.873 7.292 3.142
162 HB3 GLN 26 1HB GLN 26 -0.099 5.802 2.634
163 HG2 GLN 26 2HG GLN 26 0.164 5.140 4.978
164 HG3 GLN 26 1HG GLN 26 -0.629 6.629 5.484
165 HE21 GLN 26 1HE2 GLN 26 -2.839 6.825 5.218
166 HE22 GLN 26 2HE2 GLN 26 -3.849 5.480 4.850
167 H CYS 27 H CYS 27 2.182 5.273 2.202
168 HA CYS 27 HA CYS 27 3.275 3.879 4.372
169 HB2 CYS 27 2HB CYS 27 3.733 3.566 1.425
170 HB3 CYS 27 1HB CYS 27 4.365 2.459 2.642
171 H LYS 28 H LYS 28 4.769 6.241 2.226
172 HA LYS 28 HA LYS 28 7.405 5.739 3.185
173 HB2 LYS 28 2HB LYS 28 6.205 8.160 1.828
174 HB3 LYS 28 1HB LYS 28 7.897 8.059 2.289
175 HG2 LYS 28 2HG LYS 28 8.233 6.180 0.794
176 HG3 LYS 28 1HG LYS 28 6.515 6.146 0.422
177 HD2 LYS 28 2HD LYS 28 7.764 7.214 -1.378
178 HD3 LYS 28 1HD LYS 28 6.691 8.366 -0.594
179 HE2 LYS 28 2HE LYS 28 8.840 9.403 -1.052
180 HE3 LYS 28 1HE LYS 28 8.606 9.255 0.684
181 HZ1 LYS 28 3HZ LYS 28 10.274 7.451 -1.000
182 HZ2 LYS 28 1HZ LYS 28 10.098 7.336 0.680
183 HZ3 LYS 28 2HZ LYS 28 10.846 8.666 -0.016
184 H ASP 29 H ASP 29 4.752 7.687 4.283
185 HA ASP 29 HA ASP 29 6.309 9.092 6.255
186 HB2 ASP 29 2HB ASP 29 4.401 10.227 5.326
187 HB3 ASP 29 1HB ASP 29 3.332 8.911 5.796
188 H ARG 30 H ARG 30 3.883 6.530 6.339
189 HA ARG 30 HA ARG 30 4.029 6.216 9.170
190 HB2 ARG 30 2HB ARG 30 2.876 4.394 7.062
191 HB3 ARG 30 1HB ARG 30 2.730 4.127 8.787
192 HG2 ARG 30 2HG ARG 30 1.595 6.474 7.260
193 HG3 ARG 30 1HG ARG 30 0.689 5.071 7.817
194 HD2 ARG 30 2HD ARG 30 0.253 6.725 9.427
195 HD3 ARG 30 1HD ARG 30 1.495 5.711 10.155
196 HE ARG 30 HE ARG 30 2.227 8.198 8.779
197 HH11 ARG 30 1HH1 ARG 30 2.197 6.318 11.815
198 HH12 ARG 30 2HH1 ARG 30 3.159 7.469 12.623
199 HH21 ARG 30 1HH2 ARG 30 3.468 9.643 9.870
200 HH22 ARG 30 2HH2 ARG 30 3.900 9.432 11.529
201 H GLU 31 H GLU 31 5.384 4.407 6.439
202 HA GLU 31 HA GLU 31 6.847 2.766 8.364
203 HB2 GLU 31 2HB GLU 31 6.526 2.331 5.389
204 HB3 GLU 31 1HB GLU 31 7.168 1.197 6.558
205 HG2 GLU 31 2HG GLU 31 4.309 2.102 6.289
206 HG3 GLU 31 1HG GLU 31 4.964 0.520 5.888
207 H HIS 32 H HIS 32 8.947 2.031 6.759
208 HA HIS 32 HA HIS 32 10.356 4.582 6.292
209 HB2 HIS 32 2HB HIS 32 11.423 1.906 7.247
210 HB3 HIS 32 1HB HIS 32 12.451 3.241 6.758
211 HD1 HIS 32 1HD HIS 32 13.250 4.669 8.691
212 HD2 HIS 32 2HD HIS 32 9.694 2.668 9.551
213 HE1 HIS 32 1HE HIS 32 12.724 5.178 11.093
214 H PHE 33 H PHE 33 8.704 2.998 4.394
215 HA PHE 33 HA PHE 33 10.737 1.661 2.813
216 HB2 PHE 33 2HB PHE 33 7.728 1.535 2.550
217 HB3 PHE 33 1HB PHE 33 8.874 0.620 1.574
218 HD1 PHE 33 1HD PHE 33 10.827 -0.341 3.444
219 HD2 PHE 33 2HD PHE 33 6.614 0.038 3.952
220 HE1 PHE 33 1HE PHE 33 10.881 -2.103 5.121
221 HE2 PHE 33 2HE PHE 33 6.665 -1.728 5.654
222 HZ PHE 33 HZ PHE 33 8.795 -2.801 6.255
223 H ALA 34 H ALA 34 11.636 2.584 1.260
224 HA ALA 34 HA ALA 34 11.041 5.204 0.384
225 HB1 ALA 34 1HB ALA 34 12.866 4.885 -1.200
226 HB2 ALA 34 2HB ALA 34 12.858 3.151 -0.879
227 HB3 ALA 34 3HB ALA 34 13.315 4.280 0.395
228 H TYR 35 H TYR 35 10.280 2.040 -0.835
229 HA TYR 35 HA TYR 35 9.373 2.919 -3.370
230 HB2 TYR 35 2HB TYR 35 9.021 0.331 -1.881
231 HB3 TYR 35 1HB TYR 35 8.251 0.620 -3.437
232 HD1 TYR 35 1HD TYR 35 11.470 0.099 -1.726
233 HD2 TYR 35 2HD TYR 35 9.526 0.719 -5.449
234 HE1 TYR 35 1HE TYR 35 13.525 -0.563 -2.907
235 HE2 TYR 35 2HE TYR 35 11.550 0.059 -6.633
236 HH TYR 35 HH TYR 35 13.870 -0.037 -6.268
237 H GLY 36 H GLY 36 7.987 3.171 -0.298
238 HA2 GLY 36 2HA GLY 36 6.032 4.144 0.308
239 HA3 GLY 36 1HA GLY 36 5.712 4.461 -1.392
240 H GLY 37 H GLY 37 3.899 3.546 -2.095
241 HA2 GLY 37 2HA GLY 37 3.217 0.878 -1.433
242 HA3 GLY 37 1HA GLY 37 2.220 2.074 -0.624
243 H ALA 38 H ALA 38 1.209 0.291 -2.476
244 HA ALA 38 HA ALA 38 0.193 2.177 -4.433
245 HB1 ALA 38 1HB ALA 38 1.157 -0.595 -5.188
246 HB2 ALA 38 2HB ALA 38 1.936 0.921 -5.635
247 HB3 ALA 38 3HB ALA 38 0.332 0.540 -6.254
248 H CYS 39 H CYS 39 -1.835 1.313 -5.418
249 HA CYS 39 HA CYS 39 -3.421 0.197 -3.256
250 HB2 CYS 39 2HB CYS 39 -4.264 1.345 -5.911
251 HB3 CYS 39 1HB CYS 39 -5.323 0.989 -4.557
252 H HIS 40 H HIS 40 -4.187 -1.829 -3.273
253 HA HIS 40 HA HIS 40 -4.408 -3.327 -5.776
254 HB2 HIS 40 2HB HIS 40 -2.182 -3.904 -4.865
255 HB3 HIS 40 1HB HIS 40 -2.898 -4.271 -3.307
256 HD1 HIS 40 1HD HIS 40 -3.355 -6.710 -2.919
257 HD2 HIS 40 2HD HIS 40 -3.109 -5.771 -6.961
258 HE1 HIS 40 1HE HIS 40 -3.513 -8.888 -4.132
259 H TYR 41 H TYR 41 -5.958 -5.086 -5.593
260 HA TYR 41 HA TYR 41 -8.026 -4.485 -3.661
261 HB2 TYR 41 2HB TYR 41 -8.478 -5.024 -6.101
262 HB3 TYR 41 1HB TYR 41 -8.055 -6.689 -5.722
263 HD1 TYR 41 2HD TYR 41 -9.595 -8.074 -4.272
264 HD2 TYR 41 1HD TYR 41 -10.541 -4.055 -5.355
265 HE1 TYR 41 2HE TYR 41 -11.882 -8.429 -3.580
266 HE2 TYR 41 1HE TYR 41 -12.845 -4.408 -4.650
267 HH TYR 41 HH TYR 41 -13.791 -7.077 -2.813
268 H GLN 42 H GLN 42 -8.655 -5.662 -2.013
269 HA GLN 42 HA GLN 42 -7.817 -8.363 -1.618
270 HB2 GLN 42 2HB GLN 42 -5.991 -7.070 -0.597
271 HB3 GLN 42 1HB GLN 42 -7.143 -6.101 0.316
272 HG2 GLN 42 2HG GLN 42 -7.795 -8.099 1.570
273 HG3 GLN 42 1HG GLN 42 -6.654 -9.056 0.632
274 HE21 GLN 42 1HE2 GLN 42 -7.022 -6.637 3.074
275 HE22 GLN 42 2HE2 GLN 42 -5.432 -6.724 3.702
276 H PHE 43 H PHE 43 -9.211 -9.140 0.267
277 HA PHE 43 HA PHE 43 -11.787 -8.119 -0.045
278 HB2 PHE 43 2HB PHE 43 -11.360 -10.431 0.520
279 HB3 PHE 43 1HB PHE 43 -10.646 -9.978 2.061
280 HD1 PHE 43 2HD PHE 43 -12.101 -9.204 3.925
281 HD2 PHE 43 1HD PHE 43 -13.738 -10.568 0.241
282 HE1 PHE 43 2HE PHE 43 -14.293 -9.446 4.992
283 HE2 PHE 43 1HE PHE 43 -15.934 -10.812 1.308
284 HZ PHE 43 HZ PHE 43 -16.214 -10.251 3.689
285 HA PRO 44 HA PRO 44 -13.362 -7.207 0.330
286 HB2 PRO 44 2HB PRO 44 -15.209 -5.670 1.375
287 HB3 PRO 44 1HB PRO 44 -14.694 -7.129 2.229
288 HG2 PRO 44 2HG PRO 44 -14.187 -4.293 2.914
289 HG3 PRO 44 1HG PRO 44 -14.157 -5.720 3.960
290 HD2 PRO 44 2HD PRO 44 -11.933 -4.391 2.605
291 HD3 PRO 44 1HD PRO 44 -11.879 -5.669 3.840
292 H SER 45 H SER 45 -11.188 -4.879 0.104
293 HA SER 45 HA SER 45 -12.574 -3.280 -1.819
294 HB2 SER 45 2HB SER 45 -13.344 -2.222 0.287
295 HB3 SER 45 1HB SER 45 -11.667 -2.018 0.787
296 HG SER 45 HG SER 45 -11.829 -0.193 -0.133
297 H VAL 46 H VAL 46 -11.066 -1.685 -2.758
298 HA VAL 46 HA VAL 46 -8.410 -2.704 -3.100
299 HB VAL 46 HB VAL 46 -9.465 0.047 -3.870
300 HG11 VAL 46 1HG1 VAL 46 -7.124 -1.523 -4.949
301 HG12 VAL 46 2HG1 VAL 46 -7.021 -0.157 -3.849
302 HG13 VAL 46 3HG1 VAL 46 -7.643 0.077 -5.487
303 HG21 VAL 46 3HG2 VAL 46 -10.804 -1.761 -4.873
304 HG22 VAL 46 1HG2 VAL 46 -9.325 -2.447 -5.543
305 HG23 VAL 46 2HG2 VAL 46 -9.883 -0.862 -6.082
306 H LYS 47 H LYS 47 -6.809 -2.416 -1.736
307 HA LYS 47 HA LYS 47 -7.068 -0.268 0.246
308 HB2 LYS 47 2HB LYS 47 -7.461 -2.620 1.037
309 HB3 LYS 47 1HB LYS 47 -5.806 -2.990 0.595
310 HG2 LYS 47 2HG LYS 47 -4.981 -1.441 2.239
311 HG3 LYS 47 1HG LYS 47 -6.615 -0.942 2.656
312 HD2 LYS 47 2HD LYS 47 -7.064 -3.365 3.216
313 HD3 LYS 47 1HD LYS 47 -5.326 -3.628 3.056
314 HE2 LYS 47 2HE LYS 47 -5.842 -3.281 5.363
315 HE3 LYS 47 1HE LYS 47 -4.957 -1.883 4.768
316 HZ1 LYS 47 3HZ LYS 47 -6.982 -0.601 4.684
317 HZ2 LYS 47 1HZ LYS 47 -6.890 -1.354 6.183
318 HZ3 LYS 47 2HZ LYS 47 -7.923 -1.958 5.002
319 H CYS 48 H CYS 48 -4.903 0.278 1.217
320 HA CYS 48 HA CYS 48 -2.951 0.693 -0.890
321 HB2 CYS 48 2HB CYS 48 -3.616 2.617 0.460
322 HB3 CYS 48 1HB CYS 48 -3.206 1.754 1.932
323 H PHE 49 H PHE 49 -1.123 -0.458 -0.977
324 HA PHE 49 HA PHE 49 -0.389 -2.023 1.380
325 HB2 PHE 49 2HB PHE 49 -0.239 -2.909 -1.510
326 HB3 PHE 49 1HB PHE 49 0.493 -3.743 -0.145
327 HD1 PHE 49 1HD PHE 49 -2.732 -2.724 -1.612
328 HD2 PHE 49 2HD PHE 49 -0.729 -5.193 1.190
329 HE1 PHE 49 1HE PHE 49 -4.807 -3.980 -1.243
330 HE2 PHE 49 2HE PHE 49 -2.800 -6.452 1.568
331 HZ PHE 49 HZ PHE 49 -4.836 -5.843 0.363
332 H CYS 50 H CYS 50 1.435 -1.472 2.115
333 HA CYS 50 HA CYS 50 3.192 0.332 0.797
334 HB2 CYS 50 2HB CYS 50 3.618 -1.273 3.321
335 HB3 CYS 50 1HB CYS 50 4.508 0.162 2.825
336 H LYS 51 H LYS 51 4.882 -0.153 -0.386
337 HA LYS 51 HA LYS 51 5.388 -2.977 -0.921
338 HB2 LYS 51 2HB LYS 51 6.323 -0.563 -2.482
339 HB3 LYS 51 1HB LYS 51 6.333 -2.245 -2.997
340 HG2 LYS 51 2HG LYS 51 3.918 -2.299 -3.032
341 HG3 LYS 51 1HG LYS 51 3.838 -0.652 -2.425
342 HD2 LYS 51 2HD LYS 51 3.464 -0.515 -4.755
343 HD3 LYS 51 1HD LYS 51 5.124 0.024 -4.501
344 HE2 LYS 51 2HE LYS 51 5.067 -1.432 -6.397
345 HE3 LYS 51 1HE LYS 51 5.891 -2.261 -5.078
346 HZ1 LYS 51 3HZ LYS 51 4.362 -3.739 -6.179
347 HZ2 LYS 51 1HZ LYS 51 3.083 -2.687 -5.938
348 HZ3 LYS 51 2HZ LYS 51 3.779 -3.463 -4.626
349 H ARG 52 H ARG 52 6.869 -3.678 0.452
350 HA ARG 52 HA ARG 52 9.184 -1.982 0.998
351 HB2 ARG 52 2HB ARG 52 9.751 -3.519 2.776
352 HB3 ARG 52 1HB ARG 52 8.106 -2.955 2.952
353 HG2 ARG 52 2HG ARG 52 7.264 -5.058 2.129
354 HG3 ARG 52 1HG ARG 52 8.915 -5.624 1.842
355 HD2 ARG 52 2HD ARG 52 7.738 -4.862 4.509
356 HD3 ARG 52 1HD ARG 52 8.024 -6.505 3.939
357 HE ARG 52 HE ARG 52 10.398 -4.938 3.867
358 HH11 ARG 52 1HH1 ARG 52 8.311 -6.709 6.105
359 HH12 ARG 52 2HH1 ARG 52 9.550 -7.048 7.212
360 HH21 ARG 52 1HH2 ARG 52 12.100 -5.357 5.419
361 HH22 ARG 52 2HH2 ARG 52 11.733 -6.241 6.831
362 H GLN 53 H GLN 53 11.266 -2.707 0.641
363 HA GLN 53 HA GLN 53 11.488 -4.337 -1.703
364 HB2 GLN 53 2HB GLN 53 12.759 -2.249 -1.383
365 HB3 GLN 53 1HB GLN 53 13.591 -2.988 -0.028
366 HG2 GLN 53 2HG GLN 53 14.559 -4.645 -1.530
367 HG3 GLN 53 1HG GLN 53 13.738 -3.879 -2.893
368 HE21 GLN 53 1HE2 GLN 53 15.629 -3.337 -3.910
369 HE22 GLN 53 2HE2 GLN 53 16.685 -2.103 -3.330
370 H CYS 54 H CYS 54 11.822 -6.449 -1.686
371 HA CYS 54 HA CYS 54 12.965 -7.638 0.709
372 HB2 CYS 54 2HB CYS 54 10.881 -8.774 -1.169
373 HB3 CYS 54 1HB CYS 54 11.590 -9.632 0.197
Start of MODEL 3
1 H1 ASP 1 1HT ASP 1 18.252 -7.130 -10.368
2 H2 ASP 1 2HT ASP 1 18.192 -6.378 -11.855
3 H3 ASP 1 3HT ASP 1 19.490 -7.395 -11.481
4 HA ASP 1 HA ASP 1 17.984 -8.497 -12.979
5 HB2 ASP 1 2HB ASP 1 19.116 -9.911 -11.324
6 HB3 ASP 1 1HB ASP 1 17.831 -9.605 -10.162
7 H GLY 2 H GLY 2 16.255 -8.285 -9.872
8 HA2 GLY 2 2HA GLY 2 14.039 -6.999 -10.961
9 HA3 GLY 2 1HA GLY 2 13.773 -8.737 -10.962
10 H VAL 3 H VAL 3 13.800 -5.937 -9.150
11 HA VAL 3 HA VAL 3 13.887 -7.211 -6.580
12 HB VAL 3 HB VAL 3 13.008 -4.410 -7.348
13 HG11 VAL 3 1HG1 VAL 3 13.338 -3.860 -4.991
14 HG12 VAL 3 2HG1 VAL 3 13.703 -5.555 -4.649
15 HG13 VAL 3 3HG1 VAL 3 12.093 -5.093 -5.200
16 HG21 VAL 3 3HG2 VAL 3 15.657 -5.373 -6.265
17 HG22 VAL 3 1HG2 VAL 3 15.206 -3.693 -6.552
18 HG23 VAL 3 2HG2 VAL 3 15.353 -4.810 -7.910
19 H LYS 4 H LYS 4 12.169 -8.201 -5.656
20 HA LYS 4 HA LYS 4 9.560 -7.810 -6.889
21 HB2 LYS 4 2HB LYS 4 10.551 -9.865 -4.882
22 HB3 LYS 4 1HB LYS 4 8.867 -9.685 -5.306
23 HG2 LYS 4 2HG LYS 4 9.783 -11.558 -6.506
24 HG3 LYS 4 1HG LYS 4 9.412 -10.276 -7.648
25 HD2 LYS 4 2HD LYS 4 11.539 -11.332 -8.196
26 HD3 LYS 4 1HD LYS 4 11.790 -9.661 -7.707
27 HE2 LYS 4 2HE LYS 4 12.463 -10.396 -5.476
28 HE3 LYS 4 1HE LYS 4 12.181 -12.075 -5.934
29 HZ1 LYS 4 3HZ LYS 4 14.126 -10.267 -7.247
30 HZ2 LYS 4 1HZ LYS 4 13.970 -11.920 -7.535
31 HZ3 LYS 4 2HZ LYS 4 14.546 -11.359 -6.050
32 H LEU 5 H LEU 5 7.796 -7.121 -5.624
33 HA LEU 5 HA LEU 5 8.652 -5.963 -3.082
34 HB2 LEU 5 2HB LEU 5 6.447 -4.832 -4.822
35 HB3 LEU 5 1HB LEU 5 7.160 -4.187 -3.337
36 HG LEU 5 HG LEU 5 8.690 -4.484 -5.898
37 HD11 LEU 5 1HD1 LEU 5 7.385 -2.022 -4.740
38 HD12 LEU 5 2HD1 LEU 5 6.870 -2.879 -6.193
39 HD13 LEU 5 3HD1 LEU 5 8.435 -2.064 -6.157
40 HD21 LEU 5 3HD2 LEU 5 10.266 -2.958 -4.787
41 HD22 LEU 5 1HD2 LEU 5 10.067 -4.474 -3.910
42 HD23 LEU 5 2HD2 LEU 5 9.269 -3.011 -3.332
43 H CYS 6 H CYS 6 7.516 -6.403 -1.438
44 HA CYS 6 HA CYS 6 5.290 -8.268 -1.832
45 HB2 CYS 6 2HB CYS 6 6.982 -7.898 0.649
46 HB3 CYS 6 1HB CYS 6 5.769 -9.143 0.378
47 H ASP 7 H ASP 7 3.343 -7.929 -0.851
48 HA ASP 7 HA ASP 7 2.716 -5.183 -0.282
49 HB2 ASP 7 2HB ASP 7 0.963 -7.636 -0.301
50 HB3 ASP 7 1HB ASP 7 0.379 -6.013 -0.003
51 H VAL 8 H VAL 8 2.768 -4.321 1.585
52 HA VAL 8 HA VAL 8 2.269 -5.964 3.975
53 HB VAL 8 HB VAL 8 3.764 -3.329 3.811
54 HG11 VAL 8 1HG1 VAL 8 2.738 -3.763 5.967
55 HG12 VAL 8 2HG1 VAL 8 4.503 -3.833 6.046
56 HG13 VAL 8 3HG1 VAL 8 3.561 -5.327 6.044
57 HG21 VAL 8 3HG2 VAL 8 5.814 -4.607 4.176
58 HG22 VAL 8 1HG2 VAL 8 5.041 -5.027 2.648
59 HG23 VAL 8 2HG2 VAL 8 4.894 -6.108 4.034
60 HA PRO 9 HA PRO 9 -1.634 -3.638 3.872
61 HB2 PRO 9 2HB PRO 9 -1.466 -4.387 6.763
62 HB3 PRO 9 1HB PRO 9 -2.839 -4.513 5.655
63 HG2 PRO 9 2HG PRO 9 -1.461 -6.675 6.279
64 HG3 PRO 9 1HG PRO 9 -1.992 -6.409 4.610
65 HD2 PRO 9 2HD PRO 9 0.729 -6.118 5.802
66 HD3 PRO 9 1HD PRO 9 0.254 -6.673 4.182
67 H SER 10 H SER 10 -1.970 -1.507 4.153
68 HA SER 10 HA SER 10 0.001 0.006 5.571
69 HB2 SER 10 2HB SER 10 -0.898 0.741 3.374
70 HB3 SER 10 1HB SER 10 -2.490 0.909 4.103
71 HG SER 10 HG SER 10 -0.630 2.679 3.953
72 H GLY 11 H GLY 11 -0.179 -0.002 7.726
73 HA2 GLY 11 2HA GLY 11 -2.693 -0.191 9.063
74 HA3 GLY 11 1HA GLY 11 -1.120 0.012 9.818
75 H THR 12 H THR 12 -2.971 1.913 7.554
76 HA THR 12 HA THR 12 -3.386 4.068 9.411
77 HB THR 12 HB THR 12 -2.479 5.724 7.629
78 HG1 THR 12 1HG THR 12 -1.038 3.386 6.874
79 HG21 THR 12 3HG2 THR 12 -1.440 5.572 9.815
80 HG22 THR 12 1HG2 THR 12 -0.176 5.681 8.592
81 HG23 THR 12 2HG2 THR 12 -0.555 4.126 9.332
82 H TRP 13 H TRP 13 -3.349 3.310 5.962
83 HA TRP 13 HA TRP 13 -5.563 4.858 5.220
84 HB2 TRP 13 2HB TRP 13 -3.730 3.870 3.746
85 HB3 TRP 13 1HB TRP 13 -4.635 2.363 3.824
86 HD1 TRP 13 HD TRP 13 -7.297 2.586 2.819
87 HE1 TRP 13 1HE TRP 13 -8.082 3.950 0.763
88 HE3 TRP 13 3HE TRP 13 -3.325 5.762 2.357
89 HZ2 TRP 13 2HZ TRP 13 -7.130 6.047 -0.830
90 HZ3 TRP 13 3HZ TRP 13 -3.339 7.404 0.542
91 HH2 TRP 13 HH TRP 13 -5.201 7.544 -1.019
92 H SER 14 H SER 14 -7.631 4.526 5.561
93 HA SER 14 HA SER 14 -8.581 1.792 5.965
94 HB2 SER 14 2HB SER 14 -9.547 4.285 7.381
95 HB3 SER 14 1HB SER 14 -10.129 2.637 7.649
96 HG SER 14 HG SER 14 -7.460 3.526 8.042
97 H GLY 15 H GLY 15 -10.110 1.232 4.557
98 HA2 GLY 15 2HA GLY 15 -12.195 1.709 3.463
99 HA3 GLY 15 1HA GLY 15 -11.623 3.355 3.206
100 H HIS 16 H HIS 16 -11.975 3.168 1.003
101 HA HIS 16 HA HIS 16 -10.625 1.142 -0.543
102 HB2 HIS 16 2HB HIS 16 -12.847 1.797 -1.248
103 HB3 HIS 16 1HB HIS 16 -12.391 3.490 -1.280
104 HD1 HIS 16 1HD HIS 16 -11.976 0.291 -3.259
105 HD2 HIS 16 2HD HIS 16 -11.239 4.363 -3.603
106 HE1 HIS 16 1HE HIS 16 -11.288 0.706 -5.674
107 H CYS 17 H CYS 17 -8.845 1.447 -1.770
108 HA CYS 17 HA CYS 17 -7.350 3.922 -1.363
109 HB2 CYS 17 2HB CYS 17 -6.328 1.632 -0.951
110 HB3 CYS 17 1HB CYS 17 -6.416 1.371 -2.684
111 H GLY 18 H GLY 18 -8.149 5.381 -2.834
112 HA2 GLY 18 2HA GLY 18 -8.233 4.438 -5.610
113 HA3 GLY 18 1HA GLY 18 -9.212 5.757 -4.994
114 H SER 19 H SER 19 -6.102 5.798 -3.723
115 HA SER 19 HA SER 19 -5.099 7.503 -5.842
116 HB2 SER 19 2HB SER 19 -6.110 9.016 -4.189
117 HB3 SER 19 1HB SER 19 -5.165 8.262 -2.908
118 HG SER 19 HG SER 19 -4.480 10.168 -4.708
119 H SER 20 H SER 20 -3.466 6.299 -6.475
120 HA SER 20 HA SER 20 -1.973 4.565 -4.801
121 HB2 SER 20 2HB SER 20 -2.358 4.307 -7.290
122 HB3 SER 20 1HB SER 20 -1.229 5.632 -7.539
123 HG SER 20 HG SER 20 -0.819 3.021 -6.888
124 H SER 21 H SER 21 -1.669 7.859 -5.876
125 HA SER 21 HA SER 21 1.060 8.246 -5.255
126 HB2 SER 21 2HB SER 21 -1.143 10.302 -5.430
127 HB3 SER 21 1HB SER 21 0.586 10.554 -5.697
128 HG SER 21 HG SER 21 0.397 9.042 -7.453
129 H LYS 22 H LYS 22 -2.002 8.809 -3.507
130 HA LYS 22 HA LYS 22 -0.586 9.912 -1.290
131 HB2 LYS 22 2HB LYS 22 -3.481 9.132 -1.571
132 HB3 LYS 22 1HB LYS 22 -2.792 9.853 -0.120
133 HG2 LYS 22 2HG LYS 22 -2.168 11.839 -1.377
134 HG3 LYS 22 1HG LYS 22 -2.801 11.117 -2.856
135 HD2 LYS 22 2HD LYS 22 -4.423 12.680 -1.972
136 HD3 LYS 22 1HD LYS 22 -5.034 11.034 -1.814
137 HE2 LYS 22 2HE LYS 22 -5.505 12.331 0.188
138 HE3 LYS 22 1HE LYS 22 -4.395 11.015 0.543
139 HZ1 LYS 22 3HZ LYS 22 -2.561 12.609 0.534
140 HZ2 LYS 22 1HZ LYS 22 -3.760 13.107 1.602
141 HZ3 LYS 22 2HZ LYS 22 -3.610 13.844 0.099
142 H CYS 23 H CYS 23 -1.859 6.765 -2.126
143 HA CYS 23 HA CYS 23 -1.605 5.484 0.335
144 HB2 CYS 23 2HB CYS 23 -2.653 4.353 -1.528
145 HB3 CYS 23 1HB CYS 23 -1.179 4.454 -2.480
146 H SER 24 H SER 24 0.796 5.904 -2.250
147 HA SER 24 HA SER 24 2.857 4.659 -0.818
148 HB2 SER 24 2HB SER 24 4.301 5.804 -2.563
149 HB3 SER 24 1HB SER 24 3.069 4.687 -3.154
150 HG SER 24 HG SER 24 1.948 6.301 -3.963
151 H GLN 25 H GLN 25 2.055 8.073 -1.365
152 HA GLN 25 HA GLN 25 4.106 9.327 -0.009
153 HB2 GLN 25 2HB GLN 25 2.442 10.533 -1.288
154 HB3 GLN 25 1HB GLN 25 1.189 10.056 -0.154
155 HG2 GLN 25 2HG GLN 25 2.305 11.354 1.599
156 HG3 GLN 25 1HG GLN 25 3.512 11.865 0.421
157 HE21 GLN 25 1HE2 GLN 25 2.984 13.979 0.657
158 HE22 GLN 25 2HE2 GLN 25 1.521 14.667 0.044
159 H GLN 26 H GLN 26 0.987 8.284 1.314
160 HA GLN 26 HA GLN 26 1.431 9.101 3.946
161 HB2 GLN 26 2HB GLN 26 -0.771 8.584 2.910
162 HB3 GLN 26 1HB GLN 26 -0.350 6.882 2.951
163 HG2 GLN 26 2HG GLN 26 -0.288 6.937 5.373
164 HG3 GLN 26 1HG GLN 26 -0.647 8.667 5.356
165 HE21 GLN 26 1HE2 GLN 26 -1.920 5.491 4.948
166 HE22 GLN 26 2HE2 GLN 26 -3.579 5.977 4.825
167 H CYS 27 H CYS 27 2.043 6.030 2.295
168 HA CYS 27 HA CYS 27 2.819 4.748 4.703
169 HB2 CYS 27 2HB CYS 27 2.025 3.445 2.763
170 HB3 CYS 27 1HB CYS 27 3.466 3.920 1.865
171 H LYS 28 H LYS 28 4.614 6.469 2.192
172 HA LYS 28 HA LYS 28 7.220 5.879 3.175
173 HB2 LYS 28 2HB LYS 28 6.195 8.230 1.567
174 HB3 LYS 28 1HB LYS 28 7.894 7.944 1.891
175 HG2 LYS 28 2HG LYS 28 7.820 5.875 0.636
176 HG3 LYS 28 1HG LYS 28 6.079 6.047 0.424
177 HD2 LYS 28 2HD LYS 28 7.181 6.709 -1.610
178 HD3 LYS 28 1HD LYS 28 6.480 8.133 -0.852
179 HE2 LYS 28 2HE LYS 28 8.693 8.631 -1.719
180 HE3 LYS 28 1HE LYS 28 8.698 8.733 0.036
181 HZ1 LYS 28 3HZ LYS 28 10.617 7.593 -0.964
182 HZ2 LYS 28 1HZ LYS 28 9.627 6.346 -1.483
183 HZ3 LYS 28 2HZ LYS 28 9.829 6.660 0.181
184 H ASP 29 H ASP 29 4.781 8.138 4.040
185 HA ASP 29 HA ASP 29 6.459 9.781 5.704
186 HB2 ASP 29 2HB ASP 29 4.637 10.849 4.592
187 HB3 ASP 29 1HB ASP 29 3.492 9.680 5.223
188 H ARG 30 H ARG 30 3.837 7.471 6.308
189 HA ARG 30 HA ARG 30 4.072 7.728 9.185
190 HB2 ARG 30 2HB ARG 30 2.418 5.816 7.542
191 HB3 ARG 30 1HB ARG 30 2.230 6.139 9.258
192 HG2 ARG 30 2HG ARG 30 1.884 8.197 7.099
193 HG3 ARG 30 1HG ARG 30 0.551 7.291 7.790
194 HD2 ARG 30 2HD ARG 30 1.081 8.229 9.987
195 HD3 ARG 30 1HD ARG 30 2.428 9.120 9.271
196 HE ARG 30 HE ARG 30 0.857 10.337 7.966
197 HH11 ARG 30 1HH1 ARG 30 -0.482 8.594 10.768
198 HH12 ARG 30 2HH1 ARG 30 -1.873 9.553 10.874
199 HH21 ARG 30 1HH2 ARG 30 -1.078 11.652 8.134
200 HH22 ARG 30 2HH2 ARG 30 -2.228 11.318 9.363
201 H GLU 31 H GLU 31 4.757 5.229 6.771
202 HA GLU 31 HA GLU 31 5.868 3.480 8.833
203 HB2 GLU 31 2HB GLU 31 5.067 3.029 5.954
204 HB3 GLU 31 1HB GLU 31 5.851 1.813 6.944
205 HG2 GLU 31 2HG GLU 31 3.166 3.058 7.489
206 HG3 GLU 31 1HG GLU 31 3.440 1.470 6.772
207 H HIS 32 H HIS 32 7.684 2.093 7.291
208 HA HIS 32 HA HIS 32 9.403 4.156 6.166
209 HB2 HIS 32 2HB HIS 32 10.258 3.571 8.429
210 HB3 HIS 32 1HB HIS 32 10.372 1.888 7.937
211 HD1 HIS 32 1HD HIS 32 12.568 1.189 6.878
212 HD2 HIS 32 2HD HIS 32 12.078 5.314 6.989
213 HE1 HIS 32 1HE HIS 32 14.760 2.172 6.093
214 H PHE 33 H PHE 33 8.461 3.499 4.212
215 HA PHE 33 HA PHE 33 9.831 1.194 3.115
216 HB2 PHE 33 2HB PHE 33 6.915 1.869 2.623
217 HB3 PHE 33 1HB PHE 33 7.825 0.698 1.682
218 HD1 PHE 33 2HD PHE 33 8.690 -1.361 2.829
219 HD2 PHE 33 1HD PHE 33 5.952 1.295 4.679
220 HE1 PHE 33 2HE PHE 33 8.103 -3.109 4.468
221 HE2 PHE 33 1HE PHE 33 5.363 -0.438 6.319
222 HZ PHE 33 HZ PHE 33 6.435 -2.644 6.210
223 H ALA 34 H ALA 34 11.112 1.864 1.635
224 HA ALA 34 HA ALA 34 11.215 4.472 0.625
225 HB1 ALA 34 1HB ALA 34 13.161 3.002 0.784
226 HB2 ALA 34 2HB ALA 34 12.964 3.646 -0.845
227 HB3 ALA 34 3HB ALA 34 12.493 1.982 -0.492
228 H TYR 35 H TYR 35 9.866 1.539 -0.677
229 HA TYR 35 HA TYR 35 9.246 2.690 -3.232
230 HB2 TYR 35 2HB TYR 35 8.488 0.073 -1.942
231 HB3 TYR 35 1HB TYR 35 7.951 0.538 -3.549
232 HD1 TYR 35 2HD TYR 35 9.496 0.610 -5.391
233 HD2 TYR 35 1HD TYR 35 10.823 -0.560 -1.529
234 HE1 TYR 35 2HE TYR 35 11.543 -0.314 -6.381
235 HE2 TYR 35 1HE TYR 35 12.878 -1.482 -2.525
236 HH TYR 35 HH TYR 35 13.889 -0.840 -5.635
237 H GLY 36 H GLY 36 7.857 2.897 -0.191
238 HA2 GLY 36 2HA GLY 36 5.943 3.880 0.512
239 HA3 GLY 36 1HA GLY 36 5.578 4.265 -1.166
240 H GLY 37 H GLY 37 3.998 3.176 -2.142
241 HA2 GLY 37 2HA GLY 37 3.239 0.571 -1.493
242 HA3 GLY 37 1HA GLY 37 2.205 1.730 -0.665
243 H ALA 38 H ALA 38 0.846 0.309 -2.262
244 HA ALA 38 HA ALA 38 0.063 2.120 -4.349
245 HB1 ALA 38 1HB ALA 38 0.850 -0.724 -4.996
246 HB2 ALA 38 2HB ALA 38 1.716 0.723 -5.505
247 HB3 ALA 38 3HB ALA 38 0.091 0.411 -6.112
248 H CYS 39 H CYS 39 -2.004 1.310 -5.316
249 HA CYS 39 HA CYS 39 -3.639 0.209 -3.186
250 HB2 CYS 39 2HB CYS 39 -4.387 1.437 -5.845
251 HB3 CYS 39 1HB CYS 39 -5.507 1.023 -4.562
252 H HIS 40 H HIS 40 -4.174 -1.910 -3.267
253 HA HIS 40 HA HIS 40 -4.434 -3.190 -5.886
254 HB2 HIS 40 2HB HIS 40 -2.121 -3.607 -4.852
255 HB3 HIS 40 1HB HIS 40 -2.954 -4.513 -3.599
256 HD1 HIS 40 1HD HIS 40 -3.348 -6.957 -4.099
257 HD2 HIS 40 2HD HIS 40 -2.477 -4.731 -7.496
258 HE1 HIS 40 1HE HIS 40 -3.112 -8.623 -5.986
259 H TYR 41 H TYR 41 -5.902 -4.978 -5.843
260 HA TYR 41 HA TYR 41 -7.941 -4.694 -3.804
261 HB2 TYR 41 2HB TYR 41 -8.453 -4.991 -6.267
262 HB3 TYR 41 1HB TYR 41 -7.908 -6.655 -6.098
263 HD1 TYR 41 1HD TYR 41 -9.225 -8.244 -4.630
264 HD2 TYR 41 2HD TYR 41 -10.582 -4.303 -5.467
265 HE1 TYR 41 1HE TYR 41 -11.447 -8.858 -3.866
266 HE2 TYR 41 2HE TYR 41 -12.816 -4.907 -4.693
267 HH TYR 41 HH TYR 41 -14.169 -6.900 -4.402
268 H GLN 42 H GLN 42 -8.340 -5.892 -2.199
269 HA GLN 42 HA GLN 42 -7.330 -8.612 -2.122
270 HB2 GLN 42 2HB GLN 42 -5.658 -7.414 -0.853
271 HB3 GLN 42 1HB GLN 42 -6.905 -6.583 0.065
272 HG2 GLN 42 2HG GLN 42 -7.530 -8.552 1.179
273 HG3 GLN 42 1HG GLN 42 -6.557 -9.570 0.136
274 HE21 GLN 42 1HE2 GLN 42 -4.302 -9.510 0.429
275 HE22 GLN 42 2HE2 GLN 42 -3.561 -8.900 1.867
276 H PHE 43 H PHE 43 -8.793 -6.605 0.123
277 HA PHE 43 HA PHE 43 -11.410 -7.457 -0.275
278 HB2 PHE 43 2HB PHE 43 -10.455 -9.570 0.679
279 HB3 PHE 43 1HB PHE 43 -10.062 -8.697 2.154
280 HD1 PHE 43 1HD PHE 43 -12.880 -9.743 -0.009
281 HD2 PHE 43 2HD PHE 43 -11.652 -8.513 3.872
282 HE1 PHE 43 1HE PHE 43 -15.104 -10.309 0.868
283 HE2 PHE 43 2HE PHE 43 -13.880 -9.076 4.755
284 HZ PHE 43 HZ PHE 43 -15.607 -9.976 3.251
285 HA PRO 44 HA PRO 44 -13.226 -7.001 0.407
286 HB2 PRO 44 2HB PRO 44 -15.223 -5.373 0.974
287 HB3 PRO 44 1HB PRO 44 -14.551 -6.394 2.253
288 HG2 PRO 44 2HG PRO 44 -14.095 -3.483 1.722
289 HG3 PRO 44 1HG PRO 44 -14.332 -4.303 3.273
290 HD2 PRO 44 2HD PRO 44 -11.867 -3.598 2.159
291 HD3 PRO 44 1HD PRO 44 -12.103 -4.788 3.454
292 H SER 45 H SER 45 -11.402 -4.425 -0.204
293 HA SER 45 HA SER 45 -12.541 -3.851 -2.772
294 HB2 SER 45 2HB SER 45 -13.740 -2.301 -1.175
295 HB3 SER 45 1HB SER 45 -12.179 -1.645 -0.697
296 HG SER 45 HG SER 45 -13.250 -1.628 -3.319
297 H VAL 46 H VAL 46 -10.964 -2.037 -3.693
298 HA VAL 46 HA VAL 46 -8.288 -2.930 -3.575
299 HB VAL 46 HB VAL 46 -9.310 -0.208 -4.462
300 HG11 VAL 46 1HG1 VAL 46 -6.784 -1.684 -5.161
301 HG12 VAL 46 2HG1 VAL 46 -6.915 -0.299 -4.082
302 HG13 VAL 46 3HG1 VAL 46 -7.282 -0.117 -5.804
303 HG21 VAL 46 3HG2 VAL 46 -8.874 -2.707 -6.096
304 HG22 VAL 46 1HG2 VAL 46 -9.320 -1.126 -6.734
305 HG23 VAL 46 2HG2 VAL 46 -10.436 -2.002 -5.685
306 H LYS 47 H LYS 47 -6.785 -2.584 -2.075
307 HA LYS 47 HA LYS 47 -7.340 -0.534 -0.050
308 HB2 LYS 47 2HB LYS 47 -7.758 -2.955 0.605
309 HB3 LYS 47 1HB LYS 47 -6.042 -3.232 0.393
310 HG2 LYS 47 2HG LYS 47 -6.544 -2.963 2.722
311 HG3 LYS 47 1HG LYS 47 -5.590 -1.581 2.173
312 HD2 LYS 47 2HD LYS 47 -7.629 -0.239 2.001
313 HD3 LYS 47 1HD LYS 47 -8.595 -1.627 2.498
314 HE2 LYS 47 2HE LYS 47 -6.473 -0.266 4.154
315 HE3 LYS 47 1HE LYS 47 -8.208 -0.047 4.334
316 HZ1 LYS 47 3HZ LYS 47 -8.404 -2.391 4.916
317 HZ2 LYS 47 1HZ LYS 47 -7.323 -1.622 5.949
318 HZ3 LYS 47 2HZ LYS 47 -6.755 -2.614 4.722
319 H CYS 48 H CYS 48 -5.270 0.079 1.138
320 HA CYS 48 HA CYS 48 -3.188 0.586 -0.819
321 HB2 CYS 48 2HB CYS 48 -4.022 2.481 0.455
322 HB3 CYS 48 1HB CYS 48 -3.707 1.647 1.964
323 H PHE 49 H PHE 49 -1.455 -0.640 -0.897
324 HA PHE 49 HA PHE 49 -0.630 -2.042 1.536
325 HB2 PHE 49 2HB PHE 49 -0.563 -3.049 -1.309
326 HB3 PHE 49 1HB PHE 49 0.269 -3.824 0.032
327 HD1 PHE 49 1HD PHE 49 -1.022 -4.847 1.852
328 HD2 PHE 49 2HD PHE 49 -2.886 -3.294 -1.634
329 HE1 PHE 49 1HE PHE 49 -3.055 -6.111 2.384
330 HE2 PHE 49 2HE PHE 49 -4.922 -4.551 -1.113
331 HZ PHE 49 HZ PHE 49 -5.003 -5.964 0.916
332 H CYS 50 H CYS 50 1.331 -1.676 2.130
333 HA CYS 50 HA CYS 50 2.992 0.122 0.674
334 HB2 CYS 50 2HB CYS 50 3.413 -1.439 3.221
335 HB3 CYS 50 1HB CYS 50 4.546 -0.252 2.584
336 H LYS 51 H LYS 51 4.942 -0.371 -0.251
337 HA LYS 51 HA LYS 51 5.154 -3.176 -1.071
338 HB2 LYS 51 2HB LYS 51 6.237 -0.679 -2.359
339 HB3 LYS 51 1HB LYS 51 6.481 -2.311 -2.954
340 HG2 LYS 51 2HG LYS 51 3.816 -0.912 -2.723
341 HG3 LYS 51 1HG LYS 51 4.784 -1.108 -4.184
342 HD2 LYS 51 2HD LYS 51 4.552 -3.533 -4.032
343 HD3 LYS 51 1HD LYS 51 3.604 -3.356 -2.552
344 HE2 LYS 51 2HE LYS 51 1.902 -2.125 -3.755
345 HE3 LYS 51 1HE LYS 51 2.848 -2.213 -5.238
346 HZ1 LYS 51 3HZ LYS 51 1.712 -4.524 -3.763
347 HZ2 LYS 51 1HZ LYS 51 2.589 -4.616 -5.199
348 HZ3 LYS 51 2HZ LYS 51 1.076 -3.873 -5.172
349 H ARG 52 H ARG 52 6.557 -4.219 0.069
350 HA ARG 52 HA ARG 52 8.950 -2.785 0.900
351 HB2 ARG 52 2HB ARG 52 9.424 -4.519 2.522
352 HB3 ARG 52 1HB ARG 52 7.737 -4.061 2.666
353 HG2 ARG 52 2HG ARG 52 7.071 -6.038 1.464
354 HG3 ARG 52 1HG ARG 52 8.762 -6.502 1.241
355 HD2 ARG 52 2HD ARG 52 7.282 -6.247 3.861
356 HD3 ARG 52 1HD ARG 52 7.805 -7.743 3.088
357 HE ARG 52 HE ARG 52 10.121 -6.550 3.354
358 HH11 ARG 52 1HH1 ARG 52 7.508 -6.926 5.711
359 HH12 ARG 52 2HH1 ARG 52 8.522 -6.777 7.063
360 HH21 ARG 52 1HH2 ARG 52 11.528 -6.367 5.246
361 HH22 ARG 52 2HH2 ARG 52 10.822 -6.427 6.791
362 H GLN 53 H GLN 53 11.014 -3.579 0.576
363 HA GLN 53 HA GLN 53 11.343 -4.636 -2.059
364 HB2 GLN 53 2HB GLN 53 12.743 -2.821 -1.109
365 HB3 GLN 53 1HB GLN 53 13.390 -3.961 0.047
366 HG2 GLN 53 2HG GLN 53 14.425 -5.252 -1.692
367 HG3 GLN 53 1HG GLN 53 13.658 -4.253 -2.925
368 HE21 GLN 53 1HE2 GLN 53 16.496 -4.786 -2.433
369 HE22 GLN 53 2HE2 GLN 53 17.210 -3.237 -2.206
370 H CYS 54 H CYS 54 11.412 -6.753 -2.510
371 HA CYS 54 HA CYS 54 12.471 -8.527 -0.471
372 HB2 CYS 54 2HB CYS 54 10.269 -9.051 -2.479
373 HB3 CYS 54 1HB CYS 54 10.957 -10.265 -1.403
Start of MODEL 4
1 H1 ASP 1 1HT ASP 1 11.648 -9.034 -12.245
2 H2 ASP 1 2HT ASP 1 9.972 -8.881 -11.964
3 H3 ASP 1 3HT ASP 1 11.050 -9.267 -10.709
4 HA ASP 1 HA ASP 1 11.233 -6.751 -12.191
5 HB2 ASP 1 2HB ASP 1 9.124 -6.966 -10.754
6 HB3 ASP 1 1HB ASP 1 10.185 -7.214 -9.375
7 H GLY 2 H GLY 2 12.686 -5.284 -10.842
8 HA2 GLY 2 2HA GLY 2 15.149 -6.566 -10.489
9 HA3 GLY 2 1HA GLY 2 14.767 -4.920 -10.012
10 H VAL 3 H VAL 3 12.750 -5.462 -8.175
11 HA VAL 3 HA VAL 3 14.236 -6.863 -6.061
12 HB VAL 3 HB VAL 3 14.382 -4.433 -5.724
13 HG11 VAL 3 1HG1 VAL 3 11.384 -4.436 -5.763
14 HG12 VAL 3 2HG1 VAL 3 12.460 -3.719 -6.959
15 HG13 VAL 3 3HG1 VAL 3 12.394 -3.059 -5.322
16 HG21 VAL 3 3HG2 VAL 3 14.210 -5.794 -3.697
17 HG22 VAL 3 1HG2 VAL 3 12.454 -5.667 -3.751
18 HG23 VAL 3 2HG2 VAL 3 13.435 -4.229 -3.463
19 H LYS 4 H LYS 4 12.894 -7.963 -4.478
20 HA LYS 4 HA LYS 4 10.222 -8.538 -5.488
21 HB2 LYS 4 2HB LYS 4 11.791 -9.872 -3.252
22 HB3 LYS 4 1HB LYS 4 10.144 -10.286 -3.674
23 HG2 LYS 4 2HG LYS 4 11.512 -11.956 -4.627
24 HG3 LYS 4 1HG LYS 4 11.023 -10.924 -5.962
25 HD2 LYS 4 2HD LYS 4 13.179 -9.795 -5.898
26 HD3 LYS 4 1HD LYS 4 13.650 -10.768 -4.503
27 HE2 LYS 4 2HE LYS 4 13.424 -12.797 -5.877
28 HE3 LYS 4 1HE LYS 4 13.035 -11.788 -7.270
29 HZ1 LYS 4 3HZ LYS 4 15.218 -10.761 -7.081
30 HZ2 LYS 4 1HZ LYS 4 15.376 -12.424 -7.253
31 HZ3 LYS 4 2HZ LYS 4 15.587 -11.700 -5.750
32 H LEU 5 H LEU 5 8.688 -7.255 -4.820
33 HA LEU 5 HA LEU 5 9.035 -6.031 -2.193
34 HB2 LEU 5 2HB LEU 5 7.115 -5.135 -4.357
35 HB3 LEU 5 1HB LEU 5 7.468 -4.423 -2.793
36 HG LEU 5 HG LEU 5 9.523 -4.621 -4.951
37 HD11 LEU 5 1HD1 LEU 5 9.099 -2.238 -5.365
38 HD12 LEU 5 2HD1 LEU 5 7.762 -2.274 -4.221
39 HD13 LEU 5 3HD1 LEU 5 7.667 -3.204 -5.717
40 HD21 LEU 5 3HD2 LEU 5 9.366 -3.061 -2.382
41 HD22 LEU 5 1HD2 LEU 5 10.635 -2.892 -3.601
42 HD23 LEU 5 2HD2 LEU 5 10.431 -4.420 -2.755
43 H CYS 6 H CYS 6 7.666 -6.386 -0.686
44 HA CYS 6 HA CYS 6 5.493 -8.272 -1.241
45 HB2 CYS 6 2HB CYS 6 6.725 -7.528 1.408
46 HB3 CYS 6 1HB CYS 6 5.552 -8.811 1.119
47 H ASP 7 H ASP 7 3.475 -7.672 -0.995
48 HA ASP 7 HA ASP 7 2.864 -4.918 -0.559
49 HB2 ASP 7 2HB ASP 7 1.151 -7.334 -1.167
50 HB3 ASP 7 1HB ASP 7 0.529 -5.697 -1.084
51 H VAL 8 H VAL 8 2.967 -4.299 1.485
52 HA VAL 8 HA VAL 8 1.974 -6.011 3.607
53 HB VAL 8 HB VAL 8 3.311 -3.287 3.723
54 HG11 VAL 8 1HG1 VAL 8 3.670 -3.736 6.090
55 HG12 VAL 8 2HG1 VAL 8 2.765 -5.246 5.952
56 HG13 VAL 8 3HG1 VAL 8 1.949 -3.700 5.697
57 HG21 VAL 8 3HG2 VAL 8 4.462 -6.032 4.184
58 HG22 VAL 8 1HG2 VAL 8 5.309 -4.508 4.458
59 HG23 VAL 8 2HG2 VAL 8 4.805 -4.959 2.828
60 HA PRO 9 HA PRO 9 -1.953 -3.898 3.081
61 HB2 PRO 9 2HB PRO 9 -3.113 -4.885 5.362
62 HB3 PRO 9 1HB PRO 9 -3.035 -5.764 3.828
63 HG2 PRO 9 2HG PRO 9 -1.280 -5.996 6.236
64 HG3 PRO 9 1HG PRO 9 -1.959 -7.278 5.218
65 HD2 PRO 9 2HD PRO 9 0.577 -6.486 4.975
66 HD3 PRO 9 1HD PRO 9 -0.378 -6.952 3.550
67 H SER 10 H SER 10 -1.982 -1.795 3.504
68 HA SER 10 HA SER 10 -0.771 -0.695 5.791
69 HB2 SER 10 2HB SER 10 -0.823 0.560 3.719
70 HB3 SER 10 1HB SER 10 -2.586 0.527 3.707
71 HG SER 10 HG SER 10 -1.301 2.448 4.600
72 H GLY 11 H GLY 11 -1.572 -0.636 7.718
73 HA2 GLY 11 2HA GLY 11 -4.412 -1.029 8.170
74 HA3 GLY 11 1HA GLY 11 -3.151 -0.988 9.404
75 H THR 12 H THR 12 -2.125 1.452 7.867
76 HA THR 12 HA THR 12 -3.509 3.338 9.477
77 HB THR 12 HB THR 12 -1.804 4.921 8.358
78 HG1 THR 12 1HG THR 12 -1.286 3.539 6.552
79 HG21 THR 12 3HG2 THR 12 -0.792 2.530 9.896
80 HG22 THR 12 1HG2 THR 12 -1.593 3.929 10.609
81 HG23 THR 12 2HG2 THR 12 -0.040 4.126 9.808
82 H TRP 13 H TRP 13 -3.484 2.376 6.142
83 HA TRP 13 HA TRP 13 -5.175 4.572 5.334
84 HB2 TRP 13 2HB TRP 13 -3.531 3.375 3.797
85 HB3 TRP 13 1HB TRP 13 -4.617 1.992 3.858
86 HD1 TRP 13 HD TRP 13 -7.187 2.485 2.840
87 HE1 TRP 13 1HE TRP 13 -7.876 3.985 0.892
88 HE3 TRP 13 3HE TRP 13 -2.980 5.337 2.514
89 HZ2 TRP 13 2HZ TRP 13 -6.763 6.094 -0.629
90 HZ3 TRP 13 3HZ TRP 13 -2.870 7.066 0.776
91 HH2 TRP 13 HH TRP 13 -4.721 7.436 -0.758
92 H SER 14 H SER 14 -7.353 4.500 5.485
93 HA SER 14 HA SER 14 -8.509 2.028 6.510
94 HB2 SER 14 2HB SER 14 -9.660 4.815 6.524
95 HB3 SER 14 1HB SER 14 -10.254 3.411 7.414
96 HG SER 14 HG SER 14 -7.932 4.932 7.796
97 H GLY 15 H GLY 15 -9.361 0.780 4.968
98 HA2 GLY 15 2HA GLY 15 -11.083 0.172 3.564
99 HA3 GLY 15 1HA GLY 15 -11.543 1.857 3.444
100 H HIS 16 H HIS 16 -11.758 2.088 1.383
101 HA HIS 16 HA HIS 16 -10.276 0.799 -0.640
102 HB2 HIS 16 2HB HIS 16 -12.561 1.398 -1.033
103 HB3 HIS 16 1HB HIS 16 -12.248 3.089 -0.694
104 HD1 HIS 16 1HD HIS 16 -11.827 0.491 -3.432
105 HD2 HIS 16 2HD HIS 16 -11.328 4.567 -2.815
106 HE1 HIS 16 1HE HIS 16 -11.434 1.487 -5.697
107 H CYS 17 H CYS 17 -8.616 1.383 -1.785
108 HA CYS 17 HA CYS 17 -7.154 3.821 -1.098
109 HB2 CYS 17 2HB CYS 17 -6.017 1.590 -1.079
110 HB3 CYS 17 1HB CYS 17 -6.306 1.478 -2.808
111 H GLY 18 H GLY 18 -8.004 5.489 -2.280
112 HA2 GLY 18 2HA GLY 18 -8.370 5.000 -5.146
113 HA3 GLY 18 1HA GLY 18 -9.188 6.253 -4.226
114 H SER 19 H SER 19 -5.797 5.677 -3.743
115 HA SER 19 HA SER 19 -4.955 7.639 -5.634
116 HB2 SER 19 2HB SER 19 -5.742 9.160 -3.901
117 HB3 SER 19 1HB SER 19 -4.823 8.288 -2.678
118 HG SER 19 HG SER 19 -4.033 10.317 -4.093
119 H SER 20 H SER 20 -3.343 6.451 -6.431
120 HA SER 20 HA SER 20 -1.754 4.631 -5.044
121 HB2 SER 20 2HB SER 20 -0.972 6.208 -7.488
122 HB3 SER 20 1HB SER 20 -0.499 4.559 -7.066
123 HG SER 20 HG SER 20 -2.512 3.854 -7.506
124 H SER 21 H SER 21 -1.401 8.052 -5.812
125 HA SER 21 HA SER 21 1.267 8.375 -5.010
126 HB2 SER 21 2HB SER 21 -0.889 10.472 -5.155
127 HB3 SER 21 1HB SER 21 0.855 10.704 -5.335
128 HG SER 21 HG SER 21 0.599 9.122 -7.153
129 H LYS 22 H LYS 22 -1.835 8.879 -3.264
130 HA LYS 22 HA LYS 22 -0.416 9.790 -0.959
131 HB2 LYS 22 2HB LYS 22 -3.305 9.233 -1.481
132 HB3 LYS 22 1HB LYS 22 -2.746 9.393 0.176
133 HG2 LYS 22 2HG LYS 22 -2.433 11.484 -1.980
134 HG3 LYS 22 1HG LYS 22 -3.661 11.497 -0.713
135 HD2 LYS 22 2HD LYS 22 -1.787 11.461 0.973
136 HD3 LYS 22 1HD LYS 22 -0.663 11.692 -0.360
137 HE2 LYS 22 2HE LYS 22 -2.883 13.569 0.434
138 HE3 LYS 22 1HE LYS 22 -1.171 13.796 0.770
139 HZ1 LYS 22 3HZ LYS 22 -1.827 15.094 -1.109
140 HZ2 LYS 22 1HZ LYS 22 -2.468 13.762 -1.897
141 HZ3 LYS 22 2HZ LYS 22 -0.802 13.884 -1.655
142 H CYS 23 H CYS 23 -1.622 6.712 -2.033
143 HA CYS 23 HA CYS 23 -1.316 5.291 0.368
144 HB2 CYS 23 2HB CYS 23 -2.446 4.301 -1.546
145 HB3 CYS 23 1HB CYS 23 -0.987 4.408 -2.513
146 H SER 24 H SER 24 0.959 5.871 -2.287
147 HA SER 24 HA SER 24 3.084 4.564 -1.031
148 HB2 SER 24 2HB SER 24 4.447 5.870 -2.775
149 HB3 SER 24 1HB SER 24 3.231 4.731 -3.358
150 HG SER 24 HG SER 24 1.979 6.320 -3.982
151 H GLN 25 H GLN 25 2.133 7.965 -1.161
152 HA GLN 25 HA GLN 25 4.351 8.991 0.181
153 HB2 GLN 25 2HB GLN 25 2.778 10.451 -0.985
154 HB3 GLN 25 1HB GLN 25 1.520 10.043 0.172
155 HG2 GLN 25 2HG GLN 25 2.774 11.112 1.950
156 HG3 GLN 25 1HG GLN 25 4.085 11.471 0.831
157 HE21 GLN 25 1HE2 GLN 25 3.843 13.110 -0.633
158 HE22 GLN 25 2HE2 GLN 25 2.561 14.256 -0.543
159 H GLN 26 H GLN 26 1.304 7.700 1.468
160 HA GLN 26 HA GLN 26 1.599 8.417 4.118
161 HB2 GLN 26 2HB GLN 26 -0.452 7.431 3.257
162 HB3 GLN 26 1HB GLN 26 0.368 5.905 2.981
163 HG2 GLN 26 2HG GLN 26 0.709 5.651 5.390
164 HG3 GLN 26 1HG GLN 26 -0.121 7.181 5.666
165 HE21 GLN 26 1HE2 GLN 26 -2.337 7.255 5.500
166 HE22 GLN 26 2HE2 GLN 26 -3.307 5.855 5.317
167 H CYS 27 H CYS 27 2.583 5.257 2.737
168 HA CYS 27 HA CYS 27 3.945 4.679 5.153
169 HB2 CYS 27 2HB CYS 27 3.745 3.161 2.576
170 HB3 CYS 27 1HB CYS 27 4.859 2.651 3.842
171 H LYS 28 H LYS 28 5.008 6.211 2.230
172 HA LYS 28 HA LYS 28 7.799 5.732 2.739
173 HB2 LYS 28 2HB LYS 28 6.880 6.255 0.466
174 HB3 LYS 28 1HB LYS 28 6.552 7.889 1.027
175 HG2 LYS 28 2HG LYS 28 8.999 8.119 1.520
176 HG3 LYS 28 1HG LYS 28 9.239 6.567 0.726
177 HD2 LYS 28 2HD LYS 28 9.723 8.335 -0.838
178 HD3 LYS 28 1HD LYS 28 8.234 7.531 -1.334
179 HE2 LYS 28 2HE LYS 28 6.893 9.315 -0.470
180 HE3 LYS 28 1HE LYS 28 8.285 10.055 0.319
181 HZ1 LYS 28 3HZ LYS 28 7.699 11.198 -1.699
182 HZ2 LYS 28 1HZ LYS 28 7.880 9.797 -2.610
183 HZ3 LYS 28 2HZ LYS 28 9.216 10.506 -1.849
184 H ASP 29 H ASP 29 5.464 8.167 3.600
185 HA ASP 29 HA ASP 29 7.441 10.020 4.596
186 HB2 ASP 29 2HB ASP 29 5.390 10.856 3.542
187 HB3 ASP 29 1HB ASP 29 4.426 10.065 4.778
188 H ARG 30 H ARG 30 5.054 7.810 5.936
189 HA ARG 30 HA ARG 30 5.656 8.501 8.654
190 HB2 ARG 30 2HB ARG 30 4.201 6.152 7.473
191 HB3 ARG 30 1HB ARG 30 4.355 6.444 9.191
192 HG2 ARG 30 2HG ARG 30 3.105 8.544 8.922
193 HG3 ARG 30 1HG ARG 30 2.933 8.193 7.195
194 HD2 ARG 30 2HD ARG 30 1.770 6.140 7.685
195 HD3 ARG 30 1HD ARG 30 2.035 6.378 9.407
196 HE ARG 30 HE ARG 30 0.399 8.204 7.798
197 HH11 ARG 30 1HH1 ARG 30 0.922 6.293 10.744
198 HH12 ARG 30 2HH1 ARG 30 -0.629 6.562 11.387
199 HH21 ARG 30 1HH2 ARG 30 -1.730 8.614 8.700
200 HH22 ARG 30 2HH2 ARG 30 -2.176 7.919 10.196
201 H GLU 31 H GLU 31 6.351 5.657 6.608
202 HA GLU 31 HA GLU 31 8.241 4.706 8.636
203 HB2 GLU 31 2HB GLU 31 6.754 3.298 6.426
204 HB3 GLU 31 1HB GLU 31 7.842 2.500 7.565
205 HG2 GLU 31 2HG GLU 31 5.243 3.882 8.248
206 HG3 GLU 31 1HG GLU 31 5.443 2.147 8.048
207 H HIS 32 H HIS 32 9.656 2.975 6.833
208 HA HIS 32 HA HIS 32 10.760 5.023 5.104
209 HB2 HIS 32 2HB HIS 32 13.017 3.919 5.281
210 HB3 HIS 32 1HB HIS 32 12.420 4.610 6.776
211 HD1 HIS 32 1HD HIS 32 13.800 1.539 5.369
212 HD2 HIS 32 2HD HIS 32 11.439 2.649 8.570
213 HE1 HIS 32 1HE HIS 32 13.847 -0.430 6.947
214 H PHE 33 H PHE 33 8.707 3.473 4.234
215 HA PHE 33 HA PHE 33 9.708 1.435 2.434
216 HB2 PHE 33 2HB PHE 33 7.020 2.838 2.605
217 HB3 PHE 33 1HB PHE 33 7.393 1.642 1.383
218 HD1 PHE 33 1HD PHE 33 7.270 2.073 5.068
219 HD2 PHE 33 2HD PHE 33 6.855 -0.567 1.782
220 HE1 PHE 33 1HE PHE 33 6.411 0.326 6.586
221 HE2 PHE 33 2HE PHE 33 6.007 -2.314 3.280
222 HZ PHE 33 HZ PHE 33 5.785 -1.872 5.685
223 H ALA 34 H ALA 34 11.097 2.207 0.922
224 HA ALA 34 HA ALA 34 11.109 4.843 -0.056
225 HB1 ALA 34 1HB ALA 34 12.362 2.400 -1.301
226 HB2 ALA 34 2HB ALA 34 13.088 3.396 -0.040
227 HB3 ALA 34 3HB ALA 34 12.787 4.078 -1.638
228 H TYR 35 H TYR 35 9.553 1.971 -1.195
229 HA TYR 35 HA TYR 35 8.725 3.234 -3.680
230 HB2 TYR 35 2HB TYR 35 8.057 0.496 -2.563
231 HB3 TYR 35 1HB TYR 35 7.631 1.069 -4.172
232 HD1 TYR 35 1HD TYR 35 9.379 1.394 -5.874
233 HD2 TYR 35 2HD TYR 35 10.272 -0.208 -2.054
234 HE1 TYR 35 1HE TYR 35 11.548 0.645 -6.720
235 HE2 TYR 35 2HE TYR 35 12.466 -0.969 -2.874
236 HH TYR 35 HH TYR 35 13.515 -1.550 -5.105
237 H GLY 36 H GLY 36 7.742 3.214 -0.527
238 HA2 GLY 36 2HA GLY 36 5.904 3.976 0.524
239 HA3 GLY 36 1HA GLY 36 5.302 4.495 -1.044
240 H GLY 37 H GLY 37 4.048 3.064 -2.280
241 HA2 GLY 37 2HA GLY 37 3.281 0.524 -1.642
242 HA3 GLY 37 1HA GLY 37 2.238 1.613 -0.717
243 H ALA 38 H ALA 38 0.965 0.138 -2.429
244 HA ALA 38 HA ALA 38 0.115 2.069 -4.412
245 HB1 ALA 38 1HB ALA 38 0.774 -0.776 -5.162
246 HB2 ALA 38 2HB ALA 38 1.756 0.627 -5.583
247 HB3 ALA 38 3HB ALA 38 0.122 0.470 -6.227
248 H CYS 39 H CYS 39 -1.992 1.431 -5.316
249 HA CYS 39 HA CYS 39 -3.616 0.280 -3.250
250 HB2 CYS 39 2HB CYS 39 -4.376 1.346 -5.983
251 HB3 CYS 39 1HB CYS 39 -5.484 1.000 -4.672
252 H HIS 40 H HIS 40 -3.814 -1.843 -3.159
253 HA HIS 40 HA HIS 40 -3.587 -3.473 -5.605
254 HB2 HIS 40 2HB HIS 40 -1.740 -3.656 -3.855
255 HB3 HIS 40 1HB HIS 40 -2.949 -4.224 -2.728
256 HD1 HIS 40 1HD HIS 40 -0.265 -5.658 -4.070
257 HD2 HIS 40 2HD HIS 40 -4.289 -6.604 -4.528
258 HE1 HIS 40 1HE HIS 40 -0.339 -8.088 -4.749
259 H TYR 41 H TYR 41 -5.209 -5.107 -5.823
260 HA TYR 41 HA TYR 41 -7.647 -4.513 -4.480
261 HB2 TYR 41 2HB TYR 41 -7.601 -5.253 -6.841
262 HB3 TYR 41 1HB TYR 41 -7.078 -6.851 -6.310
263 HD1 TYR 41 1HD TYR 41 -9.863 -4.422 -6.222
264 HD2 TYR 41 2HD TYR 41 -8.699 -8.441 -5.452
265 HE1 TYR 41 1HE TYR 41 -12.203 -5.034 -5.965
266 HE2 TYR 41 2HE TYR 41 -11.044 -9.075 -5.197
267 HH TYR 41 HH TYR 41 -13.186 -8.157 -4.798
268 H GLN 42 H GLN 42 -8.664 -5.529 -2.942
269 HA GLN 42 HA GLN 42 -7.675 -8.022 -1.855
270 HB2 GLN 42 2HB GLN 42 -6.683 -6.158 -0.530
271 HB3 GLN 42 1HB GLN 42 -8.288 -5.481 -0.307
272 HG2 GLN 42 2HG GLN 42 -8.950 -7.454 0.950
273 HG3 GLN 42 1HG GLN 42 -7.354 -8.150 0.718
274 HE21 GLN 42 1HE2 GLN 42 -8.712 -7.534 3.178
275 HE22 GLN 42 2HE2 GLN 42 -7.740 -6.404 4.031
276 H PHE 43 H PHE 43 -9.540 -8.991 -0.642
277 HA PHE 43 HA PHE 43 -11.936 -8.193 -1.922
278 HB2 PHE 43 2HB PHE 43 -11.489 -10.602 -1.493
279 HB3 PHE 43 1HB PHE 43 -11.582 -10.297 0.238
280 HD1 PHE 43 1HD PHE 43 -13.500 -10.546 -2.879
281 HD2 PHE 43 2HD PHE 43 -13.719 -10.007 1.341
282 HE1 PHE 43 1HE PHE 43 -15.923 -10.930 -2.958
283 HE2 PHE 43 2HE PHE 43 -16.149 -10.393 1.265
284 HZ PHE 43 HZ PHE 43 -17.252 -10.854 -0.889
285 HA PRO 44 HA PRO 44 -13.662 -7.504 -2.049
286 HB2 PRO 44 2HB PRO 44 -15.905 -6.159 -1.669
287 HB3 PRO 44 1HB PRO 44 -15.674 -7.732 -0.898
288 HG2 PRO 44 2HG PRO 44 -15.681 -5.035 0.312
289 HG3 PRO 44 1HG PRO 44 -16.023 -6.604 1.057
290 HD2 PRO 44 2HD PRO 44 -13.536 -5.106 1.076
291 HD3 PRO 44 1HD PRO 44 -13.906 -6.628 1.908
292 H SER 45 H SER 45 -11.981 -5.067 -0.796
293 HA SER 45 HA SER 45 -12.610 -3.276 -3.000
294 HB2 SER 45 2HB SER 45 -12.255 -2.368 -0.139
295 HB3 SER 45 1HB SER 45 -12.551 -1.327 -1.534
296 HG SER 45 HG SER 45 -14.490 -2.728 -1.807
297 H VAL 46 H VAL 46 -10.893 -2.096 -3.744
298 HA VAL 46 HA VAL 46 -8.258 -3.028 -3.467
299 HB VAL 46 HB VAL 46 -9.259 -0.333 -4.457
300 HG11 VAL 46 1HG1 VAL 46 -6.643 -1.725 -4.988
301 HG12 VAL 46 2HG1 VAL 46 -6.882 -0.323 -3.951
302 HG13 VAL 46 3HG1 VAL 46 -7.170 -0.192 -5.691
303 HG21 VAL 46 3HG2 VAL 46 -8.607 -2.815 -6.010
304 HG22 VAL 46 1HG2 VAL 46 -9.140 -1.281 -6.687
305 HG23 VAL 46 2HG2 VAL 46 -10.241 -2.228 -5.675
306 H LYS 47 H LYS 47 -6.764 -2.590 -1.940
307 HA LYS 47 HA LYS 47 -7.291 -0.349 -0.115
308 HB2 LYS 47 2HB LYS 47 -7.865 -2.622 0.848
309 HB3 LYS 47 1HB LYS 47 -6.182 -3.066 0.664
310 HG2 LYS 47 2HG LYS 47 -5.542 -1.313 2.256
311 HG3 LYS 47 1HG LYS 47 -7.239 -0.861 2.434
312 HD2 LYS 47 2HD LYS 47 -7.729 -3.154 3.225
313 HD3 LYS 47 1HD LYS 47 -6.012 -3.529 3.114
314 HE2 LYS 47 2HE LYS 47 -5.528 -1.790 4.770
315 HE3 LYS 47 1HE LYS 47 -7.246 -1.415 4.877
316 HZ1 LYS 47 3HZ LYS 47 -6.609 -2.852 6.695
317 HZ2 LYS 47 1HZ LYS 47 -5.969 -3.999 5.646
318 HZ3 LYS 47 2HZ LYS 47 -7.608 -3.714 5.656
319 H CYS 48 H CYS 48 -5.228 0.268 1.047
320 HA CYS 48 HA CYS 48 -3.127 0.555 -0.900
321 HB2 CYS 48 2HB CYS 48 -3.774 2.480 0.433
322 HB3 CYS 48 1HB CYS 48 -3.472 1.598 1.917
323 H PHE 49 H PHE 49 -1.416 -0.710 -1.030
324 HA PHE 49 HA PHE 49 -0.617 -2.214 1.334
325 HB2 PHE 49 2HB PHE 49 -0.641 -3.124 -1.546
326 HB3 PHE 49 1HB PHE 49 0.348 -3.874 -0.311
327 HD1 PHE 49 2HD PHE 49 -3.221 -3.013 -1.006
328 HD2 PHE 49 1HD PHE 49 -0.483 -5.644 0.905
329 HE1 PHE 49 2HE PHE 49 -5.077 -4.493 -0.375
330 HE2 PHE 49 1HE PHE 49 -2.332 -7.114 1.541
331 HZ PHE 49 HZ PHE 49 -4.634 -6.539 0.904
332 H CYS 50 H CYS 50 1.176 -1.572 2.030
333 HA CYS 50 HA CYS 50 2.873 0.129 0.472
334 HB2 CYS 50 2HB CYS 50 3.142 -0.849 3.324
335 HB3 CYS 50 1HB CYS 50 4.028 0.490 2.590
336 H LYS 51 H LYS 51 4.423 -0.613 -0.722
337 HA LYS 51 HA LYS 51 5.094 -3.426 -0.638
338 HB2 LYS 51 2HB LYS 51 5.889 -1.256 -2.582
339 HB3 LYS 51 1HB LYS 51 6.300 -2.941 -2.742
340 HG2 LYS 51 2HG LYS 51 3.935 -3.553 -2.909
341 HG3 LYS 51 1HG LYS 51 3.486 -1.855 -2.743
342 HD2 LYS 51 2HD LYS 51 4.717 -1.327 -4.795
343 HD3 LYS 51 1HD LYS 51 5.181 -3.018 -4.954
344 HE2 LYS 51 2HE LYS 51 2.335 -2.020 -4.953
345 HE3 LYS 51 1HE LYS 51 3.263 -2.333 -6.413
346 HZ1 LYS 51 3HZ LYS 51 3.449 -4.698 -5.600
347 HZ2 LYS 51 1HZ LYS 51 1.887 -4.189 -5.965
348 HZ3 LYS 51 2HZ LYS 51 2.344 -4.314 -4.384
349 H ARG 52 H ARG 52 6.581 -4.035 0.716
350 HA ARG 52 HA ARG 52 8.909 -2.304 1.173
351 HB2 ARG 52 2HB ARG 52 9.543 -3.802 3.005
352 HB3 ARG 52 1HB ARG 52 7.910 -3.199 3.231
353 HG2 ARG 52 2HG ARG 52 6.958 -5.264 2.786
354 HG3 ARG 52 1HG ARG 52 8.379 -5.836 1.913
355 HD2 ARG 52 2HD ARG 52 8.370 -5.253 4.866
356 HD3 ARG 52 1HD ARG 52 8.035 -6.848 4.189
357 HE ARG 52 HE ARG 52 10.452 -5.958 3.110
358 HH11 ARG 52 1HH1 ARG 52 9.221 -6.816 6.308
359 HH12 ARG 52 2HH1 ARG 52 10.681 -7.463 6.866
360 HH21 ARG 52 1HH2 ARG 52 12.465 -6.875 3.841
361 HH22 ARG 52 2HH2 ARG 52 12.582 -7.511 5.414
362 H GLN 53 H GLN 53 11.018 -3.161 1.038
363 HA GLN 53 HA GLN 53 11.407 -4.981 -1.116
364 HB2 GLN 53 2HB GLN 53 13.383 -3.751 0.806
365 HB3 GLN 53 1HB GLN 53 13.757 -4.563 -0.705
366 HG2 GLN 53 2HG GLN 53 12.522 -2.826 -1.915
367 HG3 GLN 53 1HG GLN 53 12.247 -1.987 -0.392
368 HE21 GLN 53 1HE2 GLN 53 13.366 -0.165 -0.962
369 HE22 GLN 53 2HE2 GLN 53 15.065 -0.111 -1.192
370 H CYS 54 H CYS 54 11.462 -7.085 -0.886
371 HA CYS 54 HA CYS 54 12.178 -8.164 1.721
372 HB2 CYS 54 2HB CYS 54 10.534 -9.354 -0.517
373 HB3 CYS 54 1HB CYS 54 10.997 -10.216 0.948
Start of MODEL 5
1 H1 ASP 1 1HT ASP 1 13.774 -9.239 -12.608
2 H2 ASP 1 2HT ASP 1 12.410 -8.346 -13.079
3 H3 ASP 1 3HT ASP 1 12.565 -8.934 -11.489
4 HA ASP 1 HA ASP 1 14.381 -6.977 -12.702
5 HB2 ASP 1 2HB ASP 1 12.061 -6.096 -12.263
6 HB3 ASP 1 1HB ASP 1 12.255 -6.570 -10.579
7 H GLY 2 H GLY 2 15.838 -6.060 -10.988
8 HA2 GLY 2 2HA GLY 2 16.994 -8.136 -9.513
9 HA3 GLY 2 1HA GLY 2 17.410 -6.432 -9.402
10 H VAL 3 H VAL 3 14.769 -5.552 -8.667
11 HA VAL 3 HA VAL 3 14.905 -6.398 -5.881
12 HB VAL 3 HB VAL 3 13.674 -3.893 -7.069
13 HG11 VAL 3 1HG1 VAL 3 14.061 -4.711 -4.195
14 HG12 VAL 3 2HG1 VAL 3 12.516 -4.581 -5.036
15 HG13 VAL 3 3HG1 VAL 3 13.483 -3.135 -4.734
16 HG21 VAL 3 3HG2 VAL 3 16.130 -3.948 -7.167
17 HG22 VAL 3 1HG2 VAL 3 16.160 -4.250 -5.431
18 HG23 VAL 3 2HG2 VAL 3 15.529 -2.719 -6.047
19 H LYS 4 H LYS 4 13.263 -7.423 -4.982
20 HA LYS 4 HA LYS 4 10.783 -7.692 -6.521
21 HB2 LYS 4 2HB LYS 4 11.873 -9.531 -4.360
22 HB3 LYS 4 1HB LYS 4 10.380 -9.772 -5.243
23 HG2 LYS 4 2HG LYS 4 11.911 -11.273 -6.194
24 HG3 LYS 4 1HG LYS 4 11.826 -9.937 -7.340
25 HD2 LYS 4 2HD LYS 4 13.896 -9.007 -6.360
26 HD3 LYS 4 1HD LYS 4 13.985 -10.389 -5.272
27 HE2 LYS 4 2HE LYS 4 14.157 -11.879 -7.226
28 HE3 LYS 4 1HE LYS 4 14.102 -10.469 -8.283
29 HZ1 LYS 4 3HZ LYS 4 16.138 -9.662 -7.181
30 HZ2 LYS 4 1HZ LYS 4 16.373 -11.153 -7.945
31 HZ3 LYS 4 2HZ LYS 4 16.190 -11.078 -6.274
32 H LEU 5 H LEU 5 8.825 -7.358 -5.355
33 HA LEU 5 HA LEU 5 9.254 -6.091 -2.754
34 HB2 LEU 5 2HB LEU 5 7.215 -5.163 -4.791
35 HB3 LEU 5 1HB LEU 5 7.611 -4.452 -3.237
36 HG LEU 5 HG LEU 5 9.533 -4.537 -5.550
37 HD11 LEU 5 1HD1 LEU 5 7.586 -3.140 -6.084
38 HD12 LEU 5 2HD1 LEU 5 9.047 -2.184 -5.863
39 HD13 LEU 5 3HD1 LEU 5 7.833 -2.231 -4.592
40 HD21 LEU 5 3HD2 LEU 5 9.570 -3.065 -2.920
41 HD22 LEU 5 1HD2 LEU 5 10.740 -2.854 -4.226
42 HD23 LEU 5 2HD2 LEU 5 10.613 -4.406 -3.404
43 H CYS 6 H CYS 6 7.600 -6.325 -1.327
44 HA CYS 6 HA CYS 6 5.609 -8.385 -2.027
45 HB2 CYS 6 2HB CYS 6 6.755 -7.826 0.718
46 HB3 CYS 6 1HB CYS 6 5.675 -9.143 0.279
47 H ASP 7 H ASP 7 3.504 -8.047 -1.342
48 HA ASP 7 HA ASP 7 2.786 -5.271 -0.940
49 HB2 ASP 7 2HB ASP 7 1.156 -7.741 -1.529
50 HB3 ASP 7 1HB ASP 7 0.407 -6.204 -1.131
51 H VAL 8 H VAL 8 2.798 -4.530 1.023
52 HA VAL 8 HA VAL 8 1.906 -6.257 3.219
53 HB VAL 8 HB VAL 8 3.433 -3.632 3.322
54 HG11 VAL 8 1HG1 VAL 8 2.812 -5.601 5.517
55 HG12 VAL 8 2HG1 VAL 8 2.110 -3.992 5.328
56 HG13 VAL 8 3HG1 VAL 8 3.834 -4.171 5.667
57 HG21 VAL 8 3HG2 VAL 8 5.376 -4.984 3.965
58 HG22 VAL 8 1HG2 VAL 8 4.792 -5.395 2.351
59 HG23 VAL 8 2HG2 VAL 8 4.428 -6.451 3.717
60 HA PRO 9 HA PRO 9 -1.837 -3.781 2.843
61 HB2 PRO 9 2HB PRO 9 -3.077 -4.785 5.097
62 HB3 PRO 9 1HB PRO 9 -3.122 -5.558 3.514
63 HG2 PRO 9 2HG PRO 9 -1.403 -6.185 5.870
64 HG3 PRO 9 1HG PRO 9 -2.163 -7.288 4.712
65 HD2 PRO 9 2HD PRO 9 0.459 -6.650 4.621
66 HD3 PRO 9 1HD PRO 9 -0.480 -7.010 3.158
67 H SER 10 H SER 10 -1.584 -1.717 3.325
68 HA SER 10 HA SER 10 -0.270 -0.807 5.663
69 HB2 SER 10 2HB SER 10 -0.174 0.403 3.503
70 HB3 SER 10 1HB SER 10 -1.904 0.718 3.613
71 HG SER 10 HG SER 10 0.224 1.815 5.032
72 H GLY 11 H GLY 11 -1.150 -0.811 7.585
73 HA2 GLY 11 2HA GLY 11 -3.974 -1.123 7.978
74 HA3 GLY 11 1HA GLY 11 -2.744 -0.993 9.233
75 H THR 12 H THR 12 -1.803 1.489 7.805
76 HA THR 12 HA THR 12 -3.395 3.284 9.344
77 HB THR 12 HB THR 12 -0.896 3.507 9.031
78 HG1 THR 12 1HG THR 12 -1.738 5.220 9.839
79 HG21 THR 12 3HG2 THR 12 -1.700 4.606 6.343
80 HG22 THR 12 1HG2 THR 12 -0.782 3.128 6.611
81 HG23 THR 12 2HG2 THR 12 -0.078 4.689 7.037
82 H TRP 13 H TRP 13 -3.695 1.979 6.280
83 HA TRP 13 HA TRP 13 -5.275 4.262 5.381
84 HB2 TRP 13 2HB TRP 13 -3.458 3.393 3.849
85 HB3 TRP 13 1HB TRP 13 -4.392 1.905 3.721
86 HD1 TRP 13 HD TRP 13 -7.015 2.292 2.674
87 HE1 TRP 13 1HE TRP 13 -7.733 3.883 0.775
88 HE3 TRP 13 3HE TRP 13 -2.992 5.454 2.650
89 HZ2 TRP 13 2HZ TRP 13 -6.730 6.122 -0.564
90 HZ3 TRP 13 3HZ TRP 13 -2.953 7.285 1.022
91 HH2 TRP 13 HH TRP 13 -4.789 7.610 -0.555
92 H SER 14 H SER 14 -7.255 4.002 6.103
93 HA SER 14 HA SER 14 -8.487 1.376 5.812
94 HB2 SER 14 2HB SER 14 -8.336 2.381 8.166
95 HB3 SER 14 1HB SER 14 -9.417 3.649 7.594
96 HG SER 14 HG SER 14 -11.037 2.308 7.609
97 H GLY 15 H GLY 15 -10.350 1.317 4.603
98 HA2 GLY 15 2HA GLY 15 -12.162 2.402 3.449
99 HA3 GLY 15 1HA GLY 15 -11.168 3.854 3.372
100 H HIS 16 H HIS 16 -11.827 3.672 1.115
101 HA HIS 16 HA HIS 16 -10.684 1.571 -0.473
102 HB2 HIS 16 2HB HIS 16 -12.849 2.558 -1.057
103 HB3 HIS 16 1HB HIS 16 -12.111 4.143 -1.204
104 HD1 HIS 16 1HD HIS 16 -12.635 0.944 -3.078
105 HD2 HIS 16 2HD HIS 16 -10.671 4.568 -3.551
106 HE1 HIS 16 1HE HIS 16 -11.920 1.068 -5.502
107 H CYS 17 H CYS 17 -8.873 1.707 -1.721
108 HA CYS 17 HA CYS 17 -7.206 4.111 -1.484
109 HB2 CYS 17 2HB CYS 17 -6.259 1.838 -0.872
110 HB3 CYS 17 1HB CYS 17 -6.447 1.381 -2.556
111 H GLY 18 H GLY 18 -7.893 5.467 -3.086
112 HA2 GLY 18 2HA GLY 18 -8.069 4.296 -5.777
113 HA3 GLY 18 1HA GLY 18 -8.994 5.693 -5.253
114 H SER 19 H SER 19 -6.044 6.052 -3.887
115 HA SER 19 HA SER 19 -4.958 7.405 -6.242
116 HB2 SER 19 2HB SER 19 -4.911 8.485 -3.417
117 HB3 SER 19 1HB SER 19 -4.287 9.287 -4.857
118 HG SER 19 HG SER 19 -6.872 8.910 -3.970
119 H SER 20 H SER 20 -3.258 6.164 -6.740
120 HA SER 20 HA SER 20 -1.826 4.574 -4.951
121 HB2 SER 20 2HB SER 20 -0.242 4.416 -6.956
122 HB3 SER 20 1HB SER 20 -1.922 3.932 -7.214
123 HG SER 20 HG SER 20 -1.771 5.257 -8.804
124 H SER 21 H SER 21 -1.298 7.807 -6.177
125 HA SER 21 HA SER 21 1.331 8.173 -5.272
126 HB2 SER 21 2HB SER 21 -0.779 10.303 -5.571
127 HB3 SER 21 1HB SER 21 0.968 10.472 -5.775
128 HG SER 21 HG SER 21 0.861 9.170 -7.592
129 H LYS 22 H LYS 22 -1.806 8.622 -3.701
130 HA LYS 22 HA LYS 22 -0.569 9.802 -1.390
131 HB2 LYS 22 2HB LYS 22 -3.427 9.018 -1.917
132 HB3 LYS 22 1HB LYS 22 -2.889 9.628 -0.358
133 HG2 LYS 22 2HG LYS 22 -2.106 11.682 -1.437
134 HG3 LYS 22 1HG LYS 22 -2.670 11.053 -2.986
135 HD2 LYS 22 2HD LYS 22 -4.948 11.068 -2.211
136 HD3 LYS 22 1HD LYS 22 -4.430 11.553 -0.594
137 HE2 LYS 22 2HE LYS 22 -3.598 13.650 -1.435
138 HE3 LYS 22 1HE LYS 22 -3.950 13.181 -3.092
139 HZ1 LYS 22 3HZ LYS 22 -5.621 14.668 -2.192
140 HZ2 LYS 22 1HZ LYS 22 -5.968 13.594 -0.945
141 HZ3 LYS 22 2HZ LYS 22 -6.299 13.178 -2.552
142 H CYS 23 H CYS 23 -1.754 6.670 -2.305
143 HA CYS 23 HA CYS 23 -1.571 5.327 0.127
144 HB2 CYS 23 2HB CYS 23 -2.516 4.241 -1.813
145 HB3 CYS 23 1HB CYS 23 -1.016 4.419 -2.706
146 H SER 24 H SER 24 0.917 5.822 -2.373
147 HA SER 24 HA SER 24 2.971 4.656 -0.877
148 HB2 SER 24 2HB SER 24 4.428 5.923 -2.565
149 HB3 SER 24 1HB SER 24 3.283 4.747 -3.213
150 HG SER 24 HG SER 24 2.199 6.286 -4.124
151 H GLN 25 H GLN 25 1.946 8.025 -1.314
152 HA GLN 25 HA GLN 25 3.938 9.335 0.069
153 HB2 GLN 25 2HB GLN 25 2.201 10.484 -1.229
154 HB3 GLN 25 1HB GLN 25 1.005 10.017 -0.033
155 HG2 GLN 25 2HG GLN 25 1.656 12.337 0.236
156 HG3 GLN 25 1HG GLN 25 2.101 11.377 1.644
157 HE21 GLN 25 1HE2 GLN 25 3.890 11.337 -1.362
158 HE22 GLN 25 2HE2 GLN 25 5.287 12.131 -0.779
159 H GLN 26 H GLN 26 0.825 8.262 1.404
160 HA GLN 26 HA GLN 26 1.346 9.077 4.037
161 HB2 GLN 26 2HB GLN 26 -0.892 8.622 3.122
162 HB3 GLN 26 1HB GLN 26 -0.504 6.917 3.036
163 HG2 GLN 26 2HG GLN 26 -0.360 6.773 5.433
164 HG3 GLN 26 1HG GLN 26 -0.598 8.513 5.582
165 HE21 GLN 26 1HE2 GLN 26 -2.106 5.488 4.844
166 HE22 GLN 26 2HE2 GLN 26 -3.734 6.055 4.968
167 H CYS 27 H CYS 27 1.888 6.017 2.402
168 HA CYS 27 HA CYS 27 2.644 4.619 4.725
169 HB2 CYS 27 2HB CYS 27 1.929 3.491 2.646
170 HB3 CYS 27 1HB CYS 27 3.406 4.033 1.858
171 H LYS 28 H LYS 28 4.530 6.455 2.332
172 HA LYS 28 HA LYS 28 7.106 5.865 3.475
173 HB2 LYS 28 2HB LYS 28 6.217 8.086 1.645
174 HB3 LYS 28 1HB LYS 28 7.886 7.778 2.083
175 HG2 LYS 28 2HG LYS 28 7.778 5.607 0.996
176 HG3 LYS 28 1HG LYS 28 6.082 5.894 0.603
177 HD2 LYS 28 2HD LYS 28 8.379 7.603 -0.341
178 HD3 LYS 28 1HD LYS 28 7.626 6.325 -1.289
179 HE2 LYS 28 2HE LYS 28 5.452 7.547 -1.101
180 HE3 LYS 28 1HE LYS 28 6.293 8.850 -0.272
181 HZ1 LYS 28 3HZ LYS 28 5.963 9.299 -2.639
182 HZ2 LYS 28 1HZ LYS 28 6.867 7.945 -3.039
183 HZ3 LYS 28 2HZ LYS 28 7.574 9.277 -2.254
184 H ASP 29 H ASP 29 4.625 8.126 4.061
185 HA ASP 29 HA ASP 29 6.223 10.060 5.415
186 HB2 ASP 29 2HB ASP 29 4.072 10.643 4.372
187 HB3 ASP 29 1HB ASP 29 3.240 9.610 5.528
188 H ARG 30 H ARG 30 4.074 7.473 6.425
189 HA ARG 30 HA ARG 30 4.712 8.031 9.179
190 HB2 ARG 30 2HB ARG 30 3.010 5.847 8.014
191 HB3 ARG 30 1HB ARG 30 3.165 6.224 9.726
192 HG2 ARG 30 2HG ARG 30 2.324 8.509 9.218
193 HG3 ARG 30 1HG ARG 30 1.991 7.958 7.576
194 HD2 ARG 30 2HD ARG 30 -0.014 7.822 8.900
195 HD3 ARG 30 1HD ARG 30 0.545 6.201 8.501
196 HE ARG 30 HE ARG 30 1.624 6.301 10.807
197 HH11 ARG 30 1HH1 ARG 30 -1.475 7.808 10.032
198 HH12 ARG 30 2HH1 ARG 30 -2.071 7.682 11.626
199 HH21 ARG 30 1HH2 ARG 30 0.826 6.182 12.954
200 HH22 ARG 30 2HH2 ARG 30 -0.718 6.764 13.342
201 H GLU 31 H GLU 31 5.181 5.221 7.021
202 HA GLU 31 HA GLU 31 7.148 4.295 8.954
203 HB2 GLU 31 2HB GLU 31 5.458 2.778 6.984
204 HB3 GLU 31 1HB GLU 31 6.918 2.084 7.658
205 HG2 GLU 31 2HG GLU 31 5.093 1.243 8.895
206 HG3 GLU 31 1HG GLU 31 5.923 2.399 9.924
207 H HIS 32 H HIS 32 8.743 2.742 7.619
208 HA HIS 32 HA HIS 32 9.840 4.582 5.664
209 HB2 HIS 32 2HB HIS 32 11.295 2.603 7.414
210 HB3 HIS 32 1HB HIS 32 12.057 3.662 6.228
211 HD1 HIS 32 1HD HIS 32 10.570 3.663 9.659
212 HD2 HIS 32 2HD HIS 32 12.111 6.379 6.927
213 HE1 HIS 32 1HE HIS 32 10.878 5.801 10.927
214 H PHE 33 H PHE 33 8.567 3.720 4.068
215 HA PHE 33 HA PHE 33 9.625 1.221 2.958
216 HB2 PHE 33 2HB PHE 33 6.884 2.466 2.652
217 HB3 PHE 33 1HB PHE 33 7.477 1.217 1.572
218 HD1 PHE 33 1HD PHE 33 6.609 1.939 5.099
219 HD2 PHE 33 2HD PHE 33 7.338 -1.042 2.163
220 HE1 PHE 33 1HE PHE 33 5.744 0.220 6.635
221 HE2 PHE 33 2HE PHE 33 6.467 -2.765 3.701
222 HZ PHE 33 HZ PHE 33 5.675 -2.130 5.933
223 H ALA 34 H ALA 34 11.081 1.733 1.557
224 HA ALA 34 HA ALA 34 11.429 4.279 0.419
225 HB1 ALA 34 1HB ALA 34 12.674 1.662 -0.389
226 HB2 ALA 34 2HB ALA 34 13.259 2.730 0.885
227 HB3 ALA 34 3HB ALA 34 13.265 3.273 -0.793
228 H TYR 35 H TYR 35 9.759 1.472 -0.677
229 HA TYR 35 HA TYR 35 9.447 2.628 -3.335
230 HB2 TYR 35 2HB TYR 35 8.803 -0.123 -2.276
231 HB3 TYR 35 1HB TYR 35 8.334 0.420 -3.886
232 HD1 TYR 35 2HD TYR 35 11.182 -0.421 -1.722
233 HD2 TYR 35 1HD TYR 35 9.931 0.637 -5.626
234 HE1 TYR 35 2HE TYR 35 13.410 -1.012 -2.578
235 HE2 TYR 35 1HE TYR 35 12.140 0.058 -6.515
236 HH TYR 35 HH TYR 35 14.493 -0.091 -5.610
237 H GLY 36 H GLY 36 7.989 2.933 -0.485
238 HA2 GLY 36 2HA GLY 36 6.007 3.814 0.156
239 HA3 GLY 36 1HA GLY 36 5.693 4.159 -1.539
240 H GLY 37 H GLY 37 3.974 3.197 -2.352
241 HA2 GLY 37 2HA GLY 37 3.255 0.545 -1.814
242 HA3 GLY 37 1HA GLY 37 2.259 1.669 -0.888
243 H ALA 38 H ALA 38 0.913 0.245 -2.564
244 HA ALA 38 HA ALA 38 0.020 2.129 -4.544
245 HB1 ALA 38 1HB ALA 38 0.077 0.441 -6.369
246 HB2 ALA 38 2HB ALA 38 0.981 -0.637 -5.299
247 HB3 ALA 38 3HB ALA 38 1.694 0.883 -5.818
248 H CYS 39 H CYS 39 -2.089 1.313 -5.429
249 HA CYS 39 HA CYS 39 -3.555 0.189 -3.219
250 HB2 CYS 39 2HB CYS 39 -4.519 1.180 -5.913
251 HB3 CYS 39 1HB CYS 39 -5.533 0.817 -4.525
252 H HIS 40 H HIS 40 -4.262 -1.868 -3.116
253 HA HIS 40 HA HIS 40 -4.300 -3.491 -5.541
254 HB2 HIS 40 2HB HIS 40 -2.098 -3.909 -4.501
255 HB3 HIS 40 1HB HIS 40 -2.865 -4.239 -2.960
256 HD1 HIS 40 1HD HIS 40 -1.873 -5.861 -6.153
257 HD2 HIS 40 2HD HIS 40 -4.189 -6.732 -2.824
258 HE1 HIS 40 1HE HIS 40 -2.261 -8.336 -6.218
259 H TYR 41 H TYR 41 -5.787 -5.261 -5.395
260 HA TYR 41 HA TYR 41 -8.013 -4.575 -3.778
261 HB2 TYR 41 2HB TYR 41 -8.464 -5.291 -6.026
262 HB3 TYR 41 1HB TYR 41 -7.659 -6.830 -5.746
263 HD1 TYR 41 2HD TYR 41 -10.522 -4.790 -4.467
264 HD2 TYR 41 1HD TYR 41 -8.934 -8.690 -5.102
265 HE1 TYR 41 2HE TYR 41 -12.624 -5.765 -3.704
266 HE2 TYR 41 1HE TYR 41 -11.028 -9.673 -4.347
267 HH TYR 41 HH TYR 41 -13.868 -7.855 -3.974
268 H GLN 42 H GLN 42 -8.786 -5.381 -2.069
269 HA GLN 42 HA GLN 42 -8.205 -8.025 -1.170
270 HB2 GLN 42 2HB GLN 42 -6.538 -6.694 0.034
271 HB3 GLN 42 1HB GLN 42 -7.749 -5.492 0.455
272 HG2 GLN 42 2HG GLN 42 -8.898 -7.120 1.851
273 HG3 GLN 42 1HG GLN 42 -7.729 -8.351 1.396
274 HE21 GLN 42 1HE2 GLN 42 -8.462 -7.222 3.977
275 HE22 GLN 42 2HE2 GLN 42 -6.992 -6.636 4.670
276 H PHE 43 H PHE 43 -10.064 -8.742 -0.074
277 HA PHE 43 HA PHE 43 -12.432 -7.307 -0.644
278 HB2 PHE 43 2HB PHE 43 -12.307 -9.812 -0.443
279 HB3 PHE 43 1HB PHE 43 -12.069 -9.631 1.288
280 HD1 PHE 43 1HD PHE 43 -14.459 -9.204 -1.477
281 HD2 PHE 43 2HD PHE 43 -13.926 -9.212 2.747
282 HE1 PHE 43 1HE PHE 43 -16.895 -9.207 -1.174
283 HE2 PHE 43 2HE PHE 43 -16.359 -9.216 3.058
284 HZ PHE 43 HZ PHE 43 -17.853 -9.212 1.090
285 HA PRO 44 HA PRO 44 -14.238 -6.709 -0.091
286 HB2 PRO 44 2HB PRO 44 -15.963 -4.863 0.774
287 HB3 PRO 44 1HB PRO 44 -15.842 -6.458 1.521
288 HG2 PRO 44 2HG PRO 44 -15.013 -3.838 2.579
289 HG3 PRO 44 1HG PRO 44 -15.330 -5.346 3.446
290 HD2 PRO 44 2HD PRO 44 -12.785 -4.230 2.617
291 HD3 PRO 44 1HD PRO 44 -13.094 -5.665 3.613
292 H SER 45 H SER 45 -12.065 -4.230 0.499
293 HA SER 45 HA SER 45 -12.839 -2.837 -1.916
294 HB2 SER 45 2HB SER 45 -12.510 -0.637 -0.699
295 HB3 SER 45 1HB SER 45 -13.982 -1.521 -0.296
296 HG SER 45 HG SER 45 -11.620 -1.843 1.249
297 H VAL 46 H VAL 46 -11.119 -2.111 -3.053
298 HA VAL 46 HA VAL 46 -8.548 -2.986 -2.752
299 HB VAL 46 HB VAL 46 -9.420 -0.363 -4.020
300 HG11 VAL 46 1HG1 VAL 46 -7.016 -0.408 -3.628
301 HG12 VAL 46 2HG1 VAL 46 -7.380 -0.516 -5.352
302 HG13 VAL 46 3HG1 VAL 46 -6.900 -1.958 -4.459
303 HG21 VAL 46 3HG2 VAL 46 -10.573 -2.261 -4.976
304 HG22 VAL 46 1HG2 VAL 46 -9.043 -3.105 -5.211
305 HG23 VAL 46 2HG2 VAL 46 -9.386 -1.637 -6.119
306 H LYS 47 H LYS 47 -6.897 -2.547 -1.494
307 HA LYS 47 HA LYS 47 -7.160 -0.312 0.397
308 HB2 LYS 47 2HB LYS 47 -7.507 -2.667 1.273
309 HB3 LYS 47 1HB LYS 47 -5.839 -2.991 0.856
310 HG2 LYS 47 2HG LYS 47 -5.112 -1.276 2.432
311 HG3 LYS 47 1HG LYS 47 -6.789 -0.962 2.875
312 HD2 LYS 47 2HD LYS 47 -6.951 -3.415 3.457
313 HD3 LYS 47 1HD LYS 47 -5.201 -3.486 3.266
314 HE2 LYS 47 2HE LYS 47 -5.686 -3.199 5.581
315 HE3 LYS 47 1HE LYS 47 -4.998 -1.700 4.974
316 HZ1 LYS 47 3HZ LYS 47 -7.162 -0.678 4.949
317 HZ2 LYS 47 1HZ LYS 47 -6.968 -1.414 6.447
318 HZ3 LYS 47 2HZ LYS 47 -7.931 -2.137 5.290
319 H CYS 48 H CYS 48 -4.942 0.238 1.316
320 HA CYS 48 HA CYS 48 -3.102 0.649 -0.877
321 HB2 CYS 48 2HB CYS 48 -3.633 2.533 0.580
322 HB3 CYS 48 1HB CYS 48 -3.137 1.616 1.988
323 H PHE 49 H PHE 49 -1.404 -0.606 -1.190
324 HA PHE 49 HA PHE 49 -0.504 -2.267 1.032
325 HB2 PHE 49 2HB PHE 49 -0.764 -2.983 -1.875
326 HB3 PHE 49 1HB PHE 49 0.297 -3.863 -0.791
327 HD1 PHE 49 2HD PHE 49 -3.240 -2.898 -1.326
328 HD2 PHE 49 1HD PHE 49 -0.518 -5.497 0.634
329 HE1 PHE 49 2HE PHE 49 -5.110 -4.290 -0.581
330 HE2 PHE 49 1HE PHE 49 -2.376 -6.881 1.390
331 HZ PHE 49 HZ PHE 49 -4.682 -6.278 0.792
332 H CYS 50 H CYS 50 1.236 -1.557 1.748
333 HA CYS 50 HA CYS 50 3.064 0.073 0.358
334 HB2 CYS 50 2HB CYS 50 3.292 -1.446 2.959
335 HB3 CYS 50 1HB CYS 50 4.457 -0.258 2.385
336 H LYS 51 H LYS 51 4.996 -0.467 -0.485
337 HA LYS 51 HA LYS 51 5.274 -3.302 -1.178
338 HB2 LYS 51 2HB LYS 51 6.451 -0.848 -2.501
339 HB3 LYS 51 1HB LYS 51 6.677 -2.510 -2.991
340 HG2 LYS 51 2HG LYS 51 3.956 -1.239 -2.904
341 HG3 LYS 51 1HG LYS 51 5.030 -1.210 -4.308
342 HD2 LYS 51 2HD LYS 51 5.054 -3.659 -4.347
343 HD3 LYS 51 1HD LYS 51 3.984 -3.694 -2.944
344 HE2 LYS 51 2HE LYS 51 3.244 -2.315 -5.518
345 HE3 LYS 51 1HE LYS 51 2.901 -4.015 -5.226
346 HZ1 LYS 51 3HZ LYS 51 1.933 -1.906 -3.351
347 HZ2 LYS 51 1HZ LYS 51 1.491 -3.526 -3.511
348 HZ3 LYS 51 2HZ LYS 51 1.041 -2.440 -4.710
349 H ARG 52 H ARG 52 6.654 -4.264 0.061
350 HA ARG 52 HA ARG 52 8.942 -2.682 0.979
351 HB2 ARG 52 2HB ARG 52 9.486 -4.398 2.623
352 HB3 ARG 52 1HB ARG 52 7.840 -3.840 2.831
353 HG2 ARG 52 2HG ARG 52 6.961 -5.839 1.928
354 HG3 ARG 52 1HG ARG 52 8.545 -6.352 1.347
355 HD2 ARG 52 2HD ARG 52 7.851 -5.961 4.260
356 HD3 ARG 52 1HD ARG 52 7.822 -7.517 3.432
357 HE ARG 52 HE ARG 52 10.205 -7.261 3.040
358 HH11 ARG 52 1HH1 ARG 52 8.843 -5.230 5.633
359 HH12 ARG 52 2HH1 ARG 52 10.346 -5.066 6.430
360 HH21 ARG 52 1HH2 ARG 52 12.243 -6.992 4.221
361 HH22 ARG 52 2HH2 ARG 52 12.239 -6.028 5.630
362 H GLN 53 H GLN 53 10.990 -3.310 0.761
363 HA GLN 53 HA GLN 53 11.661 -4.660 -1.648
364 HB2 GLN 53 2HB GLN 53 12.889 -2.722 -0.624
365 HB3 GLN 53 1HB GLN 53 13.402 -3.796 0.665
366 HG2 GLN 53 2HG GLN 53 14.553 -5.190 -1.019
367 HG3 GLN 53 1HG GLN 53 14.100 -4.006 -2.246
368 HE21 GLN 53 1HE2 GLN 53 16.111 -4.658 0.479
369 HE22 GLN 53 2HE2 GLN 53 17.123 -3.265 0.300
370 H CYS 54 H CYS 54 11.935 -6.803 -1.816
371 HA CYS 54 HA CYS 54 12.406 -8.282 0.644
372 HB2 CYS 54 2HB CYS 54 10.688 -9.048 -1.713
373 HB3 CYS 54 1HB CYS 54 11.094 -10.136 -0.386
Start of MODEL 6
1 H1 ASP 1 1HT ASP 1 9.710 -6.625 -13.071
2 H2 ASP 1 2HT ASP 1 8.155 -6.905 -12.439
3 H3 ASP 1 3HT ASP 1 9.280 -8.147 -12.499
4 HA ASP 1 HA ASP 1 9.606 -5.682 -10.931
5 HB2 ASP 1 2HB ASP 1 8.765 -8.455 -10.075
6 HB3 ASP 1 1HB ASP 1 9.262 -7.189 -8.958
7 H GLY 2 H GLY 2 11.657 -5.301 -10.531
8 HA2 GLY 2 2HA GLY 2 13.633 -7.382 -10.993
9 HA3 GLY 2 1HA GLY 2 13.954 -5.679 -10.679
10 H VAL 3 H VAL 3 12.196 -5.599 -8.375
11 HA VAL 3 HA VAL 3 13.789 -7.189 -6.511
12 HB VAL 3 HB VAL 3 14.372 -4.793 -6.346
13 HG11 VAL 3 1HG1 VAL 3 11.462 -4.330 -5.769
14 HG12 VAL 3 2HG1 VAL 3 12.394 -3.734 -7.148
15 HG13 VAL 3 3HG1 VAL 3 12.737 -3.138 -5.526
16 HG21 VAL 3 3HG2 VAL 3 14.500 -6.089 -4.299
17 HG22 VAL 3 1HG2 VAL 3 12.799 -5.767 -3.959
18 HG23 VAL 3 2HG2 VAL 3 13.968 -4.447 -3.933
19 H LYS 4 H LYS 4 12.619 -8.121 -4.782
20 HA LYS 4 HA LYS 4 9.808 -8.371 -5.442
21 HB2 LYS 4 2HB LYS 4 11.472 -9.979 -3.502
22 HB3 LYS 4 1HB LYS 4 9.808 -10.319 -3.945
23 HG2 LYS 4 2HG LYS 4 12.246 -10.496 -5.710
24 HG3 LYS 4 1HG LYS 4 11.224 -11.821 -5.148
25 HD2 LYS 4 2HD LYS 4 10.369 -9.593 -7.014
26 HD3 LYS 4 1HD LYS 4 10.812 -11.219 -7.512
27 HE2 LYS 4 2HE LYS 4 8.550 -10.603 -5.621
28 HE3 LYS 4 1HE LYS 4 8.341 -10.779 -7.357
29 HZ1 LYS 4 3HZ LYS 4 9.159 -13.056 -7.166
30 HZ2 LYS 4 1HZ LYS 4 7.813 -12.807 -6.191
31 HZ3 LYS 4 2HZ LYS 4 9.340 -12.873 -5.495
32 H LEU 5 H LEU 5 8.518 -7.053 -4.558
33 HA LEU 5 HA LEU 5 9.222 -5.891 -1.988
34 HB2 LEU 5 2HB LEU 5 7.038 -5.044 -3.878
35 HB3 LEU 5 1HB LEU 5 7.654 -4.222 -2.452
36 HG LEU 5 HG LEU 5 9.251 -4.698 -4.934
37 HD11 LEU 5 1HD1 LEU 5 8.978 -2.279 -5.328
38 HD12 LEU 5 2HD1 LEU 5 7.870 -2.205 -3.953
39 HD13 LEU 5 3HD1 LEU 5 7.440 -3.142 -5.384
40 HD21 LEU 5 3HD2 LEU 5 10.767 -3.031 -3.915
41 HD22 LEU 5 1HD2 LEU 5 10.636 -4.537 -3.008
42 HD23 LEU 5 2HD2 LEU 5 9.784 -3.096 -2.451
43 H CYS 6 H CYS 6 8.093 -6.281 -0.326
44 HA CYS 6 HA CYS 6 5.941 -8.219 -0.540
45 HB2 CYS 6 2HB CYS 6 7.393 -7.167 1.887
46 HB3 CYS 6 1HB CYS 6 6.189 -8.455 1.893
47 H ASP 7 H ASP 7 3.930 -7.731 -0.276
48 HA ASP 7 HA ASP 7 3.206 -4.954 0.125
49 HB2 ASP 7 2HB ASP 7 1.631 -7.362 -0.776
50 HB3 ASP 7 1HB ASP 7 0.896 -5.796 -0.467
51 H VAL 8 H VAL 8 2.455 -4.240 1.923
52 HA VAL 8 HA VAL 8 1.389 -6.190 3.815
53 HB VAL 8 HB VAL 8 2.184 -4.818 5.683
54 HG11 VAL 8 1HG1 VAL 8 3.644 -6.579 4.931
55 HG12 VAL 8 2HG1 VAL 8 4.601 -5.202 5.479
56 HG13 VAL 8 3HG1 VAL 8 4.388 -5.498 3.755
57 HG21 VAL 8 3HG2 VAL 8 3.759 -2.971 5.336
58 HG22 VAL 8 1HG2 VAL 8 2.166 -2.624 4.655
59 HG23 VAL 8 2HG2 VAL 8 3.497 -3.097 3.595
60 HA PRO 9 HA PRO 9 -2.357 -3.783 3.592
61 HB2 PRO 9 2HB PRO 9 -2.604 -4.488 6.473
62 HB3 PRO 9 1HB PRO 9 -3.755 -4.748 5.159
63 HG2 PRO 9 2HG PRO 9 -2.383 -6.780 6.166
64 HG3 PRO 9 1HG PRO 9 -2.673 -6.670 4.419
65 HD2 PRO 9 2HD PRO 9 -0.201 -6.050 5.983
66 HD3 PRO 9 1HD PRO 9 -0.381 -6.851 4.406
67 H SER 10 H SER 10 -2.311 -1.611 3.703
68 HA SER 10 HA SER 10 -0.506 -0.243 5.323
69 HB2 SER 10 2HB SER 10 -1.376 0.600 3.167
70 HB3 SER 10 1HB SER 10 -2.946 0.846 3.924
71 HG SER 10 HG SER 10 -0.735 2.356 3.964
72 H GLY 11 H GLY 11 -0.627 -0.093 7.430
73 HA2 GLY 11 2HA GLY 11 -3.095 -0.375 8.875
74 HA3 GLY 11 1HA GLY 11 -1.496 -0.116 9.557
75 H THR 12 H THR 12 -1.757 2.135 7.298
76 HA THR 12 HA THR 12 -2.755 4.115 9.192
77 HB THR 12 HB THR 12 -0.429 4.485 8.686
78 HG1 THR 12 1HG THR 12 -1.765 6.346 8.757
79 HG21 THR 12 3HG2 THR 12 0.400 4.894 6.400
80 HG22 THR 12 1HG2 THR 12 -1.205 4.509 5.773
81 HG23 THR 12 2HG2 THR 12 -0.258 3.266 6.587
82 H TRP 13 H TRP 13 -3.431 2.611 6.186
83 HA TRP 13 HA TRP 13 -4.875 4.901 5.142
84 HB2 TRP 13 2HB TRP 13 -3.491 3.342 3.685
85 HB3 TRP 13 1HB TRP 13 -4.737 2.131 3.961
86 HD1 TRP 13 HD TRP 13 -7.099 2.490 2.709
87 HE1 TRP 13 1HE TRP 13 -7.784 4.006 0.742
88 HE3 TRP 13 3HE TRP 13 -3.037 5.578 2.604
89 HZ2 TRP 13 2HZ TRP 13 -6.730 6.194 -0.672
90 HZ3 TRP 13 3HZ TRP 13 -2.949 7.347 0.919
91 HH2 TRP 13 HH TRP 13 -4.754 7.653 -0.685
92 H SER 14 H SER 14 -7.062 5.008 4.976
93 HA SER 14 HA SER 14 -8.538 2.967 6.437
94 HB2 SER 14 2HB SER 14 -8.359 5.216 7.535
95 HB3 SER 14 1HB SER 14 -9.178 5.911 6.144
96 HG SER 14 HG SER 14 -10.170 4.659 8.286
97 H GLY 15 H GLY 15 -9.383 1.714 4.839
98 HA2 GLY 15 2HA GLY 15 -11.274 1.253 3.569
99 HA3 GLY 15 1HA GLY 15 -11.475 2.966 3.272
100 H HIS 16 H HIS 16 -11.775 2.892 1.203
101 HA HIS 16 HA HIS 16 -10.489 1.252 -0.688
102 HB2 HIS 16 2HB HIS 16 -12.728 2.075 -1.055
103 HB3 HIS 16 1HB HIS 16 -12.194 3.735 -0.917
104 HD1 HIS 16 1HD HIS 16 -12.175 0.821 -3.365
105 HD2 HIS 16 2HD HIS 16 -11.286 4.880 -3.218
106 HE1 HIS 16 1HE HIS 16 -11.900 1.555 -5.748
107 H CYS 17 H CYS 17 -8.783 1.591 -1.939
108 HA CYS 17 HA CYS 17 -7.253 4.049 -1.524
109 HB2 CYS 17 2HB CYS 17 -6.172 1.771 -1.205
110 HB3 CYS 17 1HB CYS 17 -6.355 1.533 -2.936
111 H GLY 18 H GLY 18 -8.134 5.509 -2.890
112 HA2 GLY 18 2HA GLY 18 -8.264 4.727 -5.721
113 HA3 GLY 18 1HA GLY 18 -9.271 5.972 -4.980
114 H SER 19 H SER 19 -6.139 5.840 -3.810
115 HA SER 19 HA SER 19 -5.200 7.934 -5.594
116 HB2 SER 19 2HB SER 19 -5.151 8.078 -2.582
117 HB3 SER 19 1HB SER 19 -4.539 9.305 -3.693
118 HG SER 19 HG SER 19 -6.882 9.109 -4.507
119 H SER 20 H SER 20 -3.669 6.611 -6.452
120 HA SER 20 HA SER 20 -2.162 4.707 -5.080
121 HB2 SER 20 2HB SER 20 -1.611 6.082 -7.708
122 HB3 SER 20 1HB SER 20 -0.893 4.566 -7.157
123 HG SER 20 HG SER 20 -3.145 4.898 -8.460
124 H SER 21 H SER 21 -1.305 7.993 -6.177
125 HA SER 21 HA SER 21 1.371 7.879 -5.302
126 HB2 SER 21 2HB SER 21 -0.341 10.338 -5.732
127 HB3 SER 21 1HB SER 21 1.419 10.235 -5.811
128 HG SER 21 HG SER 21 0.876 8.513 -7.471
129 H LYS 22 H LYS 22 -1.614 8.890 -3.811
130 HA LYS 22 HA LYS 22 -0.482 10.053 -1.487
131 HB2 LYS 22 2HB LYS 22 -3.191 8.830 -1.963
132 HB3 LYS 22 1HB LYS 22 -2.746 9.657 -0.479
133 HG2 LYS 22 2HG LYS 22 -2.716 10.919 -3.208
134 HG3 LYS 22 1HG LYS 22 -4.048 11.051 -2.062
135 HD2 LYS 22 2HD LYS 22 -2.517 12.101 -0.438
136 HD3 LYS 22 1HD LYS 22 -1.212 12.009 -1.623
137 HE2 LYS 22 2HE LYS 22 -2.213 14.231 -1.566
138 HE3 LYS 22 1HE LYS 22 -2.458 13.454 -3.126
139 HZ1 LYS 22 3HZ LYS 22 -4.453 14.568 -2.358
140 HZ2 LYS 22 1HZ LYS 22 -4.480 13.634 -0.954
141 HZ3 LYS 22 2HZ LYS 22 -4.718 12.917 -2.471
142 H CYS 23 H CYS 23 -1.672 6.793 -2.204
143 HA CYS 23 HA CYS 23 -1.206 5.588 0.249
144 HB2 CYS 23 2HB CYS 23 -2.463 4.469 -1.489
145 HB3 CYS 23 1HB CYS 23 -1.093 4.518 -2.582
146 H SER 24 H SER 24 0.981 6.023 -2.536
147 HA SER 24 HA SER 24 3.199 4.721 -1.503
148 HB2 SER 24 2HB SER 24 3.195 7.142 -3.325
149 HB3 SER 24 1HB SER 24 4.452 5.905 -3.193
150 HG SER 24 HG SER 24 2.495 4.462 -3.720
151 H GLN 25 H GLN 25 2.414 8.206 -1.413
152 HA GLN 25 HA GLN 25 4.673 8.974 0.048
153 HB2 GLN 25 2HB GLN 25 1.992 10.342 -0.177
154 HB3 GLN 25 1HB GLN 25 3.423 11.071 0.534
155 HG2 GLN 25 2HG GLN 25 4.572 10.839 -1.640
156 HG3 GLN 25 1HG GLN 25 3.080 10.203 -2.327
157 HE21 GLN 25 1HE2 GLN 25 4.678 12.993 -1.071
158 HE22 GLN 25 2HE2 GLN 25 3.564 14.178 -1.645
159 H GLN 26 H GLN 26 1.446 8.034 1.153
160 HA GLN 26 HA GLN 26 1.848 8.836 3.850
161 HB2 GLN 26 2HB GLN 26 -0.371 8.564 2.737
162 HB3 GLN 26 1HB GLN 26 -0.128 6.829 2.768
163 HG2 GLN 26 2HG GLN 26 -0.147 6.827 5.179
164 HG3 GLN 26 1HG GLN 26 -0.238 8.588 5.199
165 HE21 GLN 26 1HE2 GLN 26 -2.067 6.669 6.320
166 HE22 GLN 26 2HE2 GLN 26 -3.596 6.972 5.576
167 H CYS 27 H CYS 27 2.118 5.652 2.260
168 HA CYS 27 HA CYS 27 2.833 4.324 4.645
169 HB2 CYS 27 2HB CYS 27 3.456 3.603 1.773
170 HB3 CYS 27 1HB CYS 27 3.797 2.562 3.149
171 H LYS 28 H LYS 28 4.747 5.975 2.174
172 HA LYS 28 HA LYS 28 7.282 5.256 3.250
173 HB2 LYS 28 2HB LYS 28 6.908 5.942 0.894
174 HB3 LYS 28 1HB LYS 28 6.508 7.555 1.449
175 HG2 LYS 28 2HG LYS 28 8.762 7.929 2.176
176 HG3 LYS 28 1HG LYS 28 9.189 6.247 1.862
177 HD2 LYS 28 2HD LYS 28 10.012 7.621 0.041
178 HD3 LYS 28 1HD LYS 28 8.691 6.604 -0.531
179 HE2 LYS 28 2HE LYS 28 8.446 8.805 -1.459
180 HE3 LYS 28 1HE LYS 28 7.155 8.533 -0.300
181 HZ1 LYS 28 3HZ LYS 28 8.383 9.874 1.306
182 HZ2 LYS 28 1HZ LYS 28 8.118 10.723 -0.119
183 HZ3 LYS 28 2HZ LYS 28 9.638 10.076 0.205
184 H ASP 29 H ASP 29 4.973 7.691 3.968
185 HA ASP 29 HA ASP 29 6.685 9.379 5.495
186 HB2 ASP 29 2HB ASP 29 4.603 10.242 4.572
187 HB3 ASP 29 1HB ASP 29 3.678 9.068 5.498
188 H ARG 30 H ARG 30 4.311 6.903 6.322
189 HA ARG 30 HA ARG 30 4.722 7.064 9.126
190 HB2 ARG 30 2HB ARG 30 3.504 4.834 7.503
191 HB3 ARG 30 1HB ARG 30 3.438 4.955 9.253
192 HG2 ARG 30 2HG ARG 30 2.283 6.972 7.338
193 HG3 ARG 30 1HG ARG 30 1.370 5.704 8.151
194 HD2 ARG 30 2HD ARG 30 1.886 6.669 10.313
195 HD3 ARG 30 1HD ARG 30 2.911 7.889 9.558
196 HE ARG 30 HE ARG 30 0.718 8.437 8.327
197 HH11 ARG 30 1HH1 ARG 30 0.975 7.554 11.738
198 HH12 ARG 30 2HH1 ARG 30 -0.355 8.455 12.247
199 HH21 ARG 30 1HH2 ARG 30 -1.119 9.713 8.989
200 HH22 ARG 30 2HH2 ARG 30 -1.576 9.740 10.631
201 H GLU 31 H GLU 31 5.806 4.518 6.858
202 HA GLU 31 HA GLU 31 7.885 3.863 8.829
203 HB2 GLU 31 2HB GLU 31 6.366 1.958 7.032
204 HB3 GLU 31 1HB GLU 31 7.768 1.505 7.976
205 HG2 GLU 31 2HG GLU 31 6.575 1.931 10.037
206 HG3 GLU 31 1HG GLU 31 5.182 2.528 9.139
207 H HIS 32 H HIS 32 9.661 2.478 7.536
208 HA HIS 32 HA HIS 32 10.383 4.249 5.385
209 HB2 HIS 32 2HB HIS 32 12.096 3.753 7.103
210 HB3 HIS 32 1HB HIS 32 12.053 2.053 6.648
211 HD1 HIS 32 1HD HIS 32 13.683 1.375 4.838
212 HD2 HIS 32 2HD HIS 32 13.068 5.477 4.968
213 HE1 HIS 32 1HE HIS 32 15.301 2.366 3.183
214 H PHE 33 H PHE 33 8.727 3.519 4.104
215 HA PHE 33 HA PHE 33 9.288 1.028 2.687
216 HB2 PHE 33 2HB PHE 33 6.952 2.937 2.538
217 HB3 PHE 33 1HB PHE 33 7.165 1.589 1.432
218 HD1 PHE 33 1HD PHE 33 7.284 -0.710 2.402
219 HD2 PHE 33 2HD PHE 33 5.900 2.637 4.599
220 HE1 PHE 33 1HE PHE 33 6.144 -2.215 3.951
221 HE2 PHE 33 2HE PHE 33 4.743 1.132 6.167
222 HZ PHE 33 HZ PHE 33 4.867 -1.284 5.855
223 H ALA 34 H ALA 34 10.851 1.292 1.294
224 HA ALA 34 HA ALA 34 11.684 3.724 0.198
225 HB1 ALA 34 1HB ALA 34 13.118 1.740 0.411
226 HB2 ALA 34 2HB ALA 34 13.146 2.424 -1.212
227 HB3 ALA 34 3HB ALA 34 12.212 0.962 -0.890
228 H TYR 35 H TYR 35 9.270 1.510 -0.880
229 HA TYR 35 HA TYR 35 8.940 3.100 -3.329
230 HB2 TYR 35 2HB TYR 35 8.180 0.227 -2.797
231 HB3 TYR 35 1HB TYR 35 7.713 1.112 -4.243
232 HD1 TYR 35 1HD TYR 35 9.399 1.767 -5.888
233 HD2 TYR 35 2HD TYR 35 10.413 -0.545 -2.489
234 HE1 TYR 35 1HE TYR 35 11.528 1.190 -6.939
235 HE2 TYR 35 2HE TYR 35 12.556 -1.142 -3.513
236 HH TYR 35 HH TYR 35 13.555 -1.278 -5.802
237 H GLY 36 H GLY 36 7.858 3.202 -0.421
238 HA2 GLY 36 2HA GLY 36 5.958 3.954 0.574
239 HA3 GLY 36 1HA GLY 36 5.419 4.424 -1.029
240 H GLY 37 H GLY 37 3.916 3.187 -2.070
241 HA2 GLY 37 2HA GLY 37 3.132 0.619 -1.364
242 HA3 GLY 37 1HA GLY 37 2.122 1.799 -0.517
243 H ALA 38 H ALA 38 0.941 0.186 -2.314
244 HA ALA 38 HA ALA 38 0.206 2.107 -4.382
245 HB1 ALA 38 1HB ALA 38 0.865 -0.780 -4.973
246 HB2 ALA 38 2HB ALA 38 1.865 0.604 -5.399
247 HB3 ALA 38 3HB ALA 38 0.271 0.414 -6.131
248 H CYS 39 H CYS 39 -1.897 1.672 -5.271
249 HA CYS 39 HA CYS 39 -3.702 0.540 -3.349
250 HB2 CYS 39 2HB CYS 39 -4.202 1.614 -6.140
251 HB3 CYS 39 1HB CYS 39 -5.451 1.190 -4.982
252 H HIS 40 H HIS 40 -4.213 -1.556 -3.298
253 HA HIS 40 HA HIS 40 -4.015 -3.035 -5.792
254 HB2 HIS 40 2HB HIS 40 -1.951 -3.474 -4.601
255 HB3 HIS 40 1HB HIS 40 -2.827 -3.839 -3.126
256 HD1 HIS 40 1HD HIS 40 -3.033 -6.273 -2.689
257 HD2 HIS 40 2HD HIS 40 -2.678 -5.438 -6.741
258 HE1 HIS 40 1HE HIS 40 -2.976 -8.505 -3.854
259 H TYR 41 H TYR 41 -5.706 -4.159 -6.234
260 HA TYR 41 HA TYR 41 -7.854 -4.447 -4.314
261 HB2 TYR 41 2HB TYR 41 -8.147 -3.876 -6.820
262 HB3 TYR 41 1HB TYR 41 -7.755 -5.565 -7.109
263 HD1 TYR 41 1HD TYR 41 -9.201 -7.269 -5.494
264 HD2 TYR 41 2HD TYR 41 -10.400 -3.364 -6.728
265 HE1 TYR 41 1HE TYR 41 -11.499 -7.864 -5.094
266 HE2 TYR 41 2HE TYR 41 -12.729 -3.959 -6.319
267 HH TYR 41 HH TYR 41 -14.069 -6.151 -6.266
268 H GLN 42 H GLN 42 -7.711 -6.104 -2.982
269 HA GLN 42 HA GLN 42 -6.957 -8.650 -4.168
270 HB2 GLN 42 2HB GLN 42 -5.003 -7.926 -2.899
271 HB3 GLN 42 1HB GLN 42 -6.002 -7.707 -1.469
272 HG2 GLN 42 2HG GLN 42 -6.351 -10.007 -1.224
273 HG3 GLN 42 1HG GLN 42 -5.756 -10.365 -2.841
274 HE21 GLN 42 1HE2 GLN 42 -4.902 -9.548 0.411
275 HE22 GLN 42 2HE2 GLN 42 -3.216 -9.883 0.268
276 H PHE 43 H PHE 43 -8.009 -7.524 -1.173
277 HA PHE 43 HA PHE 43 -10.567 -8.709 -1.493
278 HB2 PHE 43 2HB PHE 43 -9.215 -10.677 -1.068
279 HB3 PHE 43 1HB PHE 43 -8.653 -10.007 0.459
280 HD1 PHE 43 1HD PHE 43 -11.551 -11.390 -1.331
281 HD2 PHE 43 2HD PHE 43 -9.998 -10.165 2.436
282 HE1 PHE 43 1HE PHE 43 -13.440 -12.470 -0.205
283 HE2 PHE 43 2HE PHE 43 -11.893 -11.245 3.570
284 HZ PHE 43 HZ PHE 43 -13.614 -12.402 2.250
285 HA PRO 44 HA PRO 44 -12.318 -8.460 -0.922
286 HB2 PRO 44 2HB PRO 44 -14.485 -7.148 0.115
287 HB3 PRO 44 1HB PRO 44 -13.841 -8.643 0.794
288 HG2 PRO 44 2HG PRO 44 -13.837 -5.995 1.964
289 HG3 PRO 44 1HG PRO 44 -13.297 -7.514 2.683
290 HD2 PRO 44 2HD PRO 44 -11.719 -5.373 1.422
291 HD3 PRO 44 1HD PRO 44 -11.195 -6.650 2.537
292 H SER 45 H SER 45 -10.951 -5.559 -0.745
293 HA SER 45 HA SER 45 -12.255 -4.451 -3.068
294 HB2 SER 45 2HB SER 45 -12.040 -2.993 -0.411
295 HB3 SER 45 1HB SER 45 -12.564 -2.245 -1.914
296 HG SER 45 HG SER 45 -13.991 -4.419 -1.594
297 H VAL 46 H VAL 46 -10.918 -2.222 -3.453
298 HA VAL 46 HA VAL 46 -8.132 -3.016 -3.265
299 HB VAL 46 HB VAL 46 -8.709 -2.307 -5.507
300 HG11 VAL 46 1HG1 VAL 46 -10.644 -1.098 -5.082
301 HG12 VAL 46 2HG1 VAL 46 -9.508 -0.088 -6.005
302 HG13 VAL 46 3HG1 VAL 46 -9.740 0.186 -4.266
303 HG21 VAL 46 3HG2 VAL 46 -6.498 -1.593 -4.801
304 HG22 VAL 46 1HG2 VAL 46 -7.176 -0.091 -4.172
305 HG23 VAL 46 2HG2 VAL 46 -7.211 -0.415 -5.905
306 H LYS 47 H LYS 47 -6.881 -2.507 -1.858
307 HA LYS 47 HA LYS 47 -7.414 -0.112 -0.255
308 HB2 LYS 47 2HB LYS 47 -8.059 -2.266 0.857
309 HB3 LYS 47 1HB LYS 47 -6.390 -2.786 0.733
310 HG2 LYS 47 2HG LYS 47 -5.689 -0.977 2.198
311 HG3 LYS 47 1HG LYS 47 -7.343 -0.372 2.268
312 HD2 LYS 47 2HD LYS 47 -6.454 -3.090 3.208
313 HD3 LYS 47 1HD LYS 47 -6.688 -1.685 4.255
314 HE2 LYS 47 2HE LYS 47 -9.073 -1.617 3.553
315 HE3 LYS 47 1HE LYS 47 -8.802 -3.057 2.576
316 HZ1 LYS 47 3HZ LYS 47 -8.581 -2.900 5.540
317 HZ2 LYS 47 1HZ LYS 47 -8.281 -4.280 4.622
318 HZ3 LYS 47 2HZ LYS 47 -9.818 -3.612 4.682
319 H CYS 48 H CYS 48 -5.389 0.581 0.861
320 HA CYS 48 HA CYS 48 -3.228 0.697 -1.012
321 HB2 CYS 48 2HB CYS 48 -3.836 2.691 0.189
322 HB3 CYS 48 1HB CYS 48 -3.701 1.867 1.729
323 H PHE 49 H PHE 49 -1.569 -0.631 -1.044
324 HA PHE 49 HA PHE 49 -0.901 -2.097 1.390
325 HB2 PHE 49 2HB PHE 49 -0.784 -3.044 -1.484
326 HB3 PHE 49 1HB PHE 49 0.086 -3.835 -0.184
327 HD1 PHE 49 1HD PHE 49 -3.331 -2.957 -1.347
328 HD2 PHE 49 2HD PHE 49 -0.961 -5.388 1.210
329 HE1 PHE 49 1HE PHE 49 -5.296 -4.334 -0.848
330 HE2 PHE 49 2HE PHE 49 -2.924 -6.767 1.727
331 HZ PHE 49 HZ PHE 49 -5.099 -6.246 0.705
332 H CYS 50 H CYS 50 0.877 -1.433 2.172
333 HA CYS 50 HA CYS 50 2.647 0.291 0.725
334 HB2 CYS 50 2HB CYS 50 3.102 -0.980 3.424
335 HB3 CYS 50 1HB CYS 50 3.806 0.504 2.807
336 H LYS 51 H LYS 51 4.760 -0.249 0.041
337 HA LYS 51 HA LYS 51 5.193 -3.163 -0.164
338 HB2 LYS 51 2HB LYS 51 6.002 -1.117 -2.239
339 HB3 LYS 51 1HB LYS 51 6.068 -2.860 -2.372
340 HG2 LYS 51 2HG LYS 51 3.613 -2.981 -2.296
341 HG3 LYS 51 1HG LYS 51 3.533 -1.226 -2.189
342 HD2 LYS 51 2HD LYS 51 3.142 -1.747 -4.465
343 HD3 LYS 51 1HD LYS 51 4.810 -1.184 -4.393
344 HE2 LYS 51 2HE LYS 51 4.762 -3.116 -5.794
345 HE3 LYS 51 1HE LYS 51 5.523 -3.589 -4.278
346 HZ1 LYS 51 3HZ LYS 51 3.252 -4.491 -3.619
347 HZ2 LYS 51 1HZ LYS 51 3.980 -5.275 -4.931
348 HZ3 LYS 51 2HZ LYS 51 2.761 -4.150 -5.167
349 H ARG 52 H ARG 52 6.879 -3.741 0.989
350 HA ARG 52 HA ARG 52 9.191 -1.927 1.057
351 HB2 ARG 52 2HB ARG 52 9.970 -3.175 3.092
352 HB3 ARG 52 1HB ARG 52 8.505 -2.239 3.333
353 HG2 ARG 52 2HG ARG 52 7.198 -4.250 3.173
354 HG3 ARG 52 1HG ARG 52 8.639 -5.202 2.851
355 HD2 ARG 52 2HD ARG 52 7.864 -5.312 5.244
356 HD3 ARG 52 1HD ARG 52 9.532 -4.787 5.036
357 HE ARG 52 HE ARG 52 8.626 -2.467 5.320
358 HH11 ARG 52 1HH1 ARG 52 7.009 -5.225 6.914
359 HH12 ARG 52 2HH1 ARG 52 6.355 -4.269 8.150
360 HH21 ARG 52 1HH2 ARG 52 7.767 -1.231 7.006
361 HH22 ARG 52 2HH2 ARG 52 6.794 -1.855 8.232
362 H GLN 53 H GLN 53 11.258 -2.775 0.745
363 HA GLN 53 HA GLN 53 11.400 -4.846 -1.177
364 HB2 GLN 53 2HB GLN 53 13.625 -3.498 0.357
365 HB3 GLN 53 1HB GLN 53 13.789 -4.477 -1.086
366 HG2 GLN 53 2HG GLN 53 12.456 -2.832 -2.320
367 HG3 GLN 53 1HG GLN 53 12.411 -1.819 -0.880
368 HE21 GLN 53 1HE2 GLN 53 14.346 -0.820 -0.186
369 HE22 GLN 53 2HE2 GLN 53 15.675 -0.615 -1.257
370 H CYS 54 H CYS 54 11.748 -6.977 -0.899
371 HA CYS 54 HA CYS 54 12.812 -7.812 1.685
372 HB2 CYS 54 2HB CYS 54 10.906 -9.293 -0.141
373 HB3 CYS 54 1HB CYS 54 11.621 -9.968 1.320
Start of MODEL 7
1 H1 ASP 1 1HT ASP 1 11.745 -8.795 -13.157
2 H2 ASP 1 2HT ASP 1 11.003 -7.671 -14.152
3 H3 ASP 1 3HT ASP 1 10.274 -9.155 -13.900
4 HA ASP 1 HA ASP 1 9.163 -7.452 -12.658
5 HB2 ASP 1 2HB ASP 1 9.320 -8.417 -10.381
6 HB3 ASP 1 1HB ASP 1 9.239 -9.671 -11.610
7 H GLY 2 H GLY 2 12.644 -7.581 -11.887
8 HA2 GLY 2 2HA GLY 2 13.802 -5.485 -11.791
9 HA3 GLY 2 1HA GLY 2 12.373 -4.795 -11.022
10 H VAL 3 H VAL 3 12.065 -5.040 -8.869
11 HA VAL 3 HA VAL 3 14.068 -6.610 -7.448
12 HB VAL 3 HB VAL 3 14.486 -4.165 -7.190
13 HG11 VAL 3 1HG1 VAL 3 12.254 -3.290 -7.412
14 HG12 VAL 3 2HG1 VAL 3 12.983 -2.762 -5.887
15 HG13 VAL 3 3HG1 VAL 3 11.793 -4.057 -5.889
16 HG21 VAL 3 3HG2 VAL 3 15.188 -5.607 -5.392
17 HG22 VAL 3 1HG2 VAL 3 13.583 -5.530 -4.662
18 HG23 VAL 3 2HG2 VAL 3 14.594 -4.086 -4.729
19 H LYS 4 H LYS 4 13.279 -7.959 -5.881
20 HA LYS 4 HA LYS 4 10.539 -8.600 -5.931
21 HB2 LYS 4 2HB LYS 4 12.722 -9.462 -4.040
22 HB3 LYS 4 1HB LYS 4 11.117 -10.160 -4.073
23 HG2 LYS 4 2HG LYS 4 13.109 -10.206 -6.335
24 HG3 LYS 4 1HG LYS 4 12.750 -11.545 -5.248
25 HD2 LYS 4 2HD LYS 4 10.793 -10.220 -7.111
26 HD3 LYS 4 1HD LYS 4 11.594 -11.759 -7.419
27 HE2 LYS 4 2HE LYS 4 10.548 -12.697 -5.381
28 HE3 LYS 4 1HE LYS 4 9.722 -11.168 -5.121
29 HZ1 LYS 4 3HZ LYS 4 8.299 -12.799 -6.154
30 HZ2 LYS 4 1HZ LYS 4 9.336 -12.939 -7.465
31 HZ3 LYS 4 2HZ LYS 4 8.511 -11.485 -7.173
32 H LEU 5 H LEU 5 8.957 -7.516 -4.997
33 HA LEU 5 HA LEU 5 9.453 -6.313 -2.356
34 HB2 LEU 5 2HB LEU 5 7.591 -5.131 -4.432
35 HB3 LEU 5 1HB LEU 5 7.985 -4.493 -2.853
36 HG LEU 5 HG LEU 5 9.904 -4.720 -5.137
37 HD11 LEU 5 1HD1 LEU 5 8.501 -2.311 -3.982
38 HD12 LEU 5 2HD1 LEU 5 8.190 -3.038 -5.557
39 HD13 LEU 5 3HD1 LEU 5 9.743 -2.267 -5.232
40 HD21 LEU 5 3HD2 LEU 5 10.191 -3.503 -2.397
41 HD22 LEU 5 1HD2 LEU 5 11.326 -3.249 -3.730
42 HD23 LEU 5 2HD2 LEU 5 11.081 -4.867 -3.094
43 H CYS 6 H CYS 6 7.864 -6.522 -0.931
44 HA CYS 6 HA CYS 6 5.636 -8.306 -1.685
45 HB2 CYS 6 2HB CYS 6 6.804 -7.862 1.073
46 HB3 CYS 6 1HB CYS 6 5.592 -9.057 0.624
47 H ASP 7 H ASP 7 3.603 -7.531 -1.446
48 HA ASP 7 HA ASP 7 3.347 -4.758 -0.621
49 HB2 ASP 7 2HB ASP 7 1.305 -6.646 -1.848
50 HB3 ASP 7 1HB ASP 7 1.065 -4.928 -1.589
51 H VAL 8 H VAL 8 3.078 -4.467 1.468
52 HA VAL 8 HA VAL 8 1.602 -6.470 2.997
53 HB VAL 8 HB VAL 8 2.662 -5.567 5.020
54 HG11 VAL 8 1HG1 VAL 8 3.813 -7.351 3.834
55 HG12 VAL 8 2HG1 VAL 8 4.975 -6.240 4.566
56 HG13 VAL 8 3HG1 VAL 8 4.652 -6.154 2.841
57 HG21 VAL 8 3HG2 VAL 8 4.127 -3.676 3.168
58 HG22 VAL 8 1HG2 VAL 8 4.474 -3.891 4.885
59 HG23 VAL 8 2HG2 VAL 8 2.923 -3.224 4.376
60 HA PRO 9 HA PRO 9 -1.864 -3.709 3.237
61 HB2 PRO 9 2HB PRO 9 -2.491 -4.895 5.857
62 HB3 PRO 9 1HB PRO 9 -3.444 -4.903 4.373
63 HG2 PRO 9 2HG PRO 9 -2.213 -7.107 5.309
64 HG3 PRO 9 1HG PRO 9 -2.441 -6.804 3.580
65 HD2 PRO 9 2HD PRO 9 0.021 -6.541 5.241
66 HD3 PRO 9 1HD PRO 9 -0.174 -7.050 3.550
67 H SER 10 H SER 10 -1.596 -1.615 3.737
68 HA SER 10 HA SER 10 -0.141 -0.784 6.025
69 HB2 SER 10 2HB SER 10 -1.813 0.838 4.104
70 HB3 SER 10 1HB SER 10 -0.486 1.412 5.118
71 HG SER 10 HG SER 10 0.854 0.795 3.618
72 H GLY 11 H GLY 11 -1.060 -0.808 8.000
73 HA2 GLY 11 2HA GLY 11 -3.893 -0.884 8.420
74 HA3 GLY 11 1HA GLY 11 -2.657 -0.785 9.668
75 H THR 12 H THR 12 -1.617 1.596 8.068
76 HA THR 12 HA THR 12 -2.822 3.665 9.568
77 HB THR 12 HB THR 12 -1.361 5.021 7.929
78 HG1 THR 12 1HG THR 12 0.132 2.820 7.374
79 HG21 THR 12 3HG2 THR 12 -0.124 2.861 9.658
80 HG22 THR 12 1HG2 THR 12 -0.659 4.443 10.223
81 HG23 THR 12 2HG2 THR 12 0.699 4.318 9.103
82 H TRP 13 H TRP 13 -3.435 2.212 6.527
83 HA TRP 13 HA TRP 13 -4.938 4.505 5.527
84 HB2 TRP 13 2HB TRP 13 -3.281 3.366 4.041
85 HB3 TRP 13 1HB TRP 13 -4.235 1.896 4.171
86 HD1 TRP 13 HD TRP 13 -6.685 1.930 2.933
87 HE1 TRP 13 1HE TRP 13 -7.497 3.267 0.909
88 HE3 TRP 13 3HE TRP 13 -3.062 5.547 2.839
89 HZ2 TRP 13 2HZ TRP 13 -6.696 5.562 -0.555
90 HZ3 TRP 13 3HZ TRP 13 -3.158 7.259 1.091
91 HH2 TRP 13 HH TRP 13 -4.934 7.261 -0.572
92 H SER 14 H SER 14 -7.112 4.432 5.443
93 HA SER 14 HA SER 14 -8.421 1.879 5.875
94 HB2 SER 14 2HB SER 14 -8.394 3.163 8.025
95 HB3 SER 14 1HB SER 14 -9.191 4.499 7.200
96 HG SER 14 HG SER 14 -10.888 3.516 7.901
97 H GLY 15 H GLY 15 -9.734 1.524 4.225
98 HA2 GLY 15 2HA GLY 15 -11.713 2.291 3.064
99 HA3 GLY 15 1HA GLY 15 -10.920 3.855 2.922
100 H HIS 16 H HIS 16 -11.581 3.425 0.717
101 HA HIS 16 HA HIS 16 -10.267 1.461 -0.862
102 HB2 HIS 16 2HB HIS 16 -12.407 2.243 -1.584
103 HB3 HIS 16 1HB HIS 16 -11.893 3.917 -1.504
104 HD1 HIS 16 1HD HIS 16 -11.535 0.827 -3.713
105 HD2 HIS 16 2HD HIS 16 -10.784 4.918 -3.771
106 HE1 HIS 16 1HE HIS 16 -10.874 1.384 -6.064
107 H CYS 17 H CYS 17 -8.438 1.578 -1.967
108 HA CYS 17 HA CYS 17 -6.775 3.933 -1.656
109 HB2 CYS 17 2HB CYS 17 -5.875 1.591 -1.328
110 HB3 CYS 17 1HB CYS 17 -6.126 1.331 -3.049
111 H GLY 18 H GLY 18 -7.487 5.456 -3.006
112 HA2 GLY 18 2HA GLY 18 -8.185 4.678 -5.724
113 HA3 GLY 18 1HA GLY 18 -8.570 6.215 -4.954
114 H SER 19 H SER 19 -6.027 6.739 -3.923
115 HA SER 19 HA SER 19 -4.634 7.337 -6.409
116 HB2 SER 19 2HB SER 19 -5.353 9.293 -5.178
117 HB3 SER 19 1HB SER 19 -4.555 8.714 -3.719
118 HG SER 19 HG SER 19 -3.414 9.642 -6.133
119 H SER 20 H SER 20 -3.103 5.874 -6.778
120 HA SER 20 HA SER 20 -1.808 4.347 -4.835
121 HB2 SER 20 2HB SER 20 -0.862 5.039 -7.626
122 HB3 SER 20 1HB SER 20 -0.357 3.657 -6.657
123 HG SER 20 HG SER 20 -2.043 3.288 -8.287
124 H SER 21 H SER 21 -1.159 7.471 -6.256
125 HA SER 21 HA SER 21 1.498 7.768 -5.385
126 HB2 SER 21 2HB SER 21 0.637 9.138 -7.186
127 HB3 SER 21 1HB SER 21 -0.620 9.793 -6.142
128 HG SER 21 HG SER 21 2.187 10.184 -5.873
129 H LYS 22 H LYS 22 -1.633 8.644 -3.936
130 HA LYS 22 HA LYS 22 -0.382 9.824 -1.675
131 HB2 LYS 22 2HB LYS 22 -3.226 8.876 -2.024
132 HB3 LYS 22 1HB LYS 22 -2.630 9.755 -0.623
133 HG2 LYS 22 2HG LYS 22 -2.034 11.642 -2.056
134 HG3 LYS 22 1HG LYS 22 -2.656 10.760 -3.450
135 HD2 LYS 22 2HD LYS 22 -4.873 10.698 -2.372
136 HD3 LYS 22 1HD LYS 22 -4.227 11.668 -1.047
137 HE2 LYS 22 2HE LYS 22 -5.395 13.078 -2.641
138 HE3 LYS 22 1HE LYS 22 -3.674 13.457 -2.621
139 HZ1 LYS 22 3HZ LYS 22 -3.434 12.093 -4.664
140 HZ2 LYS 22 1HZ LYS 22 -4.508 13.379 -4.864
141 HZ3 LYS 22 2HZ LYS 22 -5.104 11.834 -4.661
142 H CYS 23 H CYS 23 -1.528 6.632 -2.457
143 HA CYS 23 HA CYS 23 -1.242 5.445 0.050
144 HB2 CYS 23 2HB CYS 23 -2.284 4.241 -1.769
145 HB3 CYS 23 1HB CYS 23 -0.818 4.336 -2.731
146 H SER 24 H SER 24 1.176 5.873 -2.566
147 HA SER 24 HA SER 24 3.342 4.709 -1.251
148 HB2 SER 24 2HB SER 24 3.470 7.039 -3.176
149 HB3 SER 24 1HB SER 24 4.699 5.803 -2.875
150 HG SER 24 HG SER 24 2.798 4.354 -3.586
151 H GLN 25 H GLN 25 2.259 8.090 -1.396
152 HA GLN 25 HA GLN 25 4.360 9.133 0.146
153 HB2 GLN 25 2HB GLN 25 1.663 10.226 -0.580
154 HB3 GLN 25 1HB GLN 25 2.835 11.144 0.352
155 HG2 GLN 25 2HG GLN 25 4.423 11.014 -1.464
156 HG3 GLN 25 1HG GLN 25 3.306 10.017 -2.394
157 HE21 GLN 25 1HE2 GLN 25 1.575 10.960 -3.347
158 HE22 GLN 25 2HE2 GLN 25 1.394 12.662 -3.534
159 H GLN 26 H GLN 26 1.067 8.179 1.058
160 HA GLN 26 HA GLN 26 1.099 8.981 3.727
161 HB2 GLN 26 2HB GLN 26 -0.892 8.176 2.405
162 HB3 GLN 26 1HB GLN 26 -0.259 6.553 2.498
163 HG2 GLN 26 2HG GLN 26 -1.017 8.131 4.949
164 HG3 GLN 26 1HG GLN 26 -2.184 7.188 4.040
165 HE21 GLN 26 1HE2 GLN 26 -2.035 4.912 4.133
166 HE22 GLN 26 2HE2 GLN 26 -1.105 4.150 5.390
167 H CYS 27 H CYS 27 2.018 5.932 2.227
168 HA CYS 27 HA CYS 27 2.786 4.603 4.536
169 HB2 CYS 27 2HB CYS 27 2.355 3.494 2.399
170 HB3 CYS 27 1HB CYS 27 3.795 4.242 1.718
171 H LYS 28 H LYS 28 4.733 6.615 2.312
172 HA LYS 28 HA LYS 28 7.206 6.158 3.682
173 HB2 LYS 28 2HB LYS 28 6.418 8.375 1.789
174 HB3 LYS 28 1HB LYS 28 8.051 8.073 2.353
175 HG2 LYS 28 2HG LYS 28 8.029 5.897 1.241
176 HG3 LYS 28 1HG LYS 28 6.379 6.204 0.691
177 HD2 LYS 28 2HD LYS 28 7.159 8.175 -0.537
178 HD3 LYS 28 1HD LYS 28 8.803 7.861 0.013
179 HE2 LYS 28 2HE LYS 28 8.768 5.701 -1.156
180 HE3 LYS 28 1HE LYS 28 7.126 6.040 -1.703
181 HZ1 LYS 28 3HZ LYS 28 7.996 7.990 -2.885
182 HZ2 LYS 28 1HZ LYS 28 8.732 6.580 -3.441
183 HZ3 LYS 28 2HZ LYS 28 9.543 7.618 -2.398
184 H ASP 29 H ASP 29 4.565 8.306 4.172
185 HA ASP 29 HA ASP 29 6.063 10.182 5.775
186 HB2 ASP 29 2HB ASP 29 4.256 11.047 4.422
187 HB3 ASP 29 1HB ASP 29 3.110 9.962 5.193
188 H ARG 30 H ARG 30 3.519 7.788 6.368
189 HA ARG 30 HA ARG 30 3.648 8.222 9.204
190 HB2 ARG 30 2HB ARG 30 2.165 6.214 7.534
191 HB3 ARG 30 1HB ARG 30 2.208 6.094 9.277
192 HG2 ARG 30 2HG ARG 30 0.141 7.123 8.485
193 HG3 ARG 30 1HG ARG 30 1.072 8.238 9.475
194 HD2 ARG 30 2HD ARG 30 1.637 9.564 7.656
195 HD3 ARG 30 1HD ARG 30 1.336 8.270 6.497
196 HE ARG 30 HE ARG 30 -1.061 8.646 7.570
197 HH11 ARG 30 1HH1 ARG 30 1.196 11.104 6.422
198 HH12 ARG 30 2HH1 ARG 30 0.035 12.005 5.571
199 HH21 ARG 30 1HH2 ARG 30 -2.688 9.862 6.429
200 HH22 ARG 30 2HH2 ARG 30 -2.262 11.274 5.597
201 H GLU 31 H GLU 31 4.654 5.630 7.006
202 HA GLU 31 HA GLU 31 6.077 4.353 9.219
203 HB2 GLU 31 2HB GLU 31 5.115 3.302 6.553
204 HB3 GLU 31 1HB GLU 31 6.060 2.375 7.704
205 HG2 GLU 31 2HG GLU 31 3.313 3.493 8.215
206 HG3 GLU 31 1HG GLU 31 3.666 1.832 7.747
207 H HIS 32 H HIS 32 7.848 2.895 7.691
208 HA HIS 32 HA HIS 32 9.302 4.877 6.127
209 HB2 HIS 32 2HB HIS 32 10.487 2.963 8.157
210 HB3 HIS 32 1HB HIS 32 11.427 3.911 7.016
211 HD1 HIS 32 1HD HIS 32 11.866 6.355 7.627
212 HD2 HIS 32 2HD HIS 32 9.299 4.434 10.258
213 HE1 HIS 32 1HE HIS 32 11.605 7.910 9.585
214 H PHE 33 H PHE 33 8.566 3.996 4.259
215 HA PHE 33 HA PHE 33 9.874 1.518 3.513
216 HB2 PHE 33 2HB PHE 33 6.972 2.174 2.887
217 HB3 PHE 33 1HB PHE 33 7.882 0.918 2.065
218 HD1 PHE 33 2HD PHE 33 8.402 -1.195 3.209
219 HD2 PHE 33 1HD PHE 33 6.204 1.888 5.156
220 HE1 PHE 33 2HE PHE 33 7.716 -2.774 4.952
221 HE2 PHE 33 1HE PHE 33 5.514 0.290 6.893
222 HZ PHE 33 HZ PHE 33 6.270 -2.040 6.782
223 H ALA 34 H ALA 34 11.270 2.119 2.089
224 HA ALA 34 HA ALA 34 11.192 4.609 0.765
225 HB1 ALA 34 1HB ALA 34 13.282 3.487 1.388
226 HB2 ALA 34 2HB ALA 34 13.235 3.885 -0.330
227 HB3 ALA 34 3HB ALA 34 12.948 2.227 0.198
228 H TYR 35 H TYR 35 10.099 1.463 -0.100
229 HA TYR 35 HA TYR 35 9.773 2.239 -2.869
230 HB2 TYR 35 2HB TYR 35 9.111 -0.348 -1.462
231 HB3 TYR 35 1HB TYR 35 8.834 -0.056 -3.176
232 HD1 TYR 35 1HD TYR 35 11.345 -0.608 -0.605
233 HD2 TYR 35 2HD TYR 35 10.664 0.079 -4.714
234 HE1 TYR 35 1HE TYR 35 13.670 -1.260 -1.073
235 HE2 TYR 35 2HE TYR 35 12.984 -0.575 -5.230
236 HH TYR 35 HH TYR 35 15.006 -2.057 -2.848
237 H GLY 36 H GLY 36 8.175 2.943 -0.181
238 HA2 GLY 36 2HA GLY 36 6.177 3.931 0.185
239 HA3 GLY 36 1HA GLY 36 5.973 3.998 -1.558
240 H GLY 37 H GLY 37 4.155 3.121 -2.148
241 HA2 GLY 37 2HA GLY 37 3.393 0.536 -1.372
242 HA3 GLY 37 1HA GLY 37 2.433 1.771 -0.556
243 H ALA 38 H ALA 38 1.290 0.036 -2.293
244 HA ALA 38 HA ALA 38 0.404 1.894 -4.322
245 HB1 ALA 38 1HB ALA 38 1.296 -0.917 -4.955
246 HB2 ALA 38 2HB ALA 38 2.126 0.576 -5.405
247 HB3 ALA 38 3HB ALA 38 0.536 0.216 -6.084
248 H CYS 39 H CYS 39 -1.622 1.151 -5.272
249 HA CYS 39 HA CYS 39 -3.331 0.131 -3.231
250 HB2 CYS 39 2HB CYS 39 -3.895 0.819 -6.118
251 HB3 CYS 39 1HB CYS 39 -5.107 0.557 -4.871
252 H HIS 40 H HIS 40 -3.558 -1.964 -2.873
253 HA HIS 40 HA HIS 40 -3.321 -3.804 -5.138
254 HB2 HIS 40 2HB HIS 40 -1.367 -3.926 -3.554
255 HB3 HIS 40 1HB HIS 40 -2.483 -4.287 -2.256
256 HD1 HIS 40 1HD HIS 40 -0.470 -5.876 -4.879
257 HD2 HIS 40 2HD HIS 40 -3.705 -6.898 -2.484
258 HE1 HIS 40 1HE HIS 40 -0.640 -8.395 -4.977
259 H TYR 41 H TYR 41 -5.004 -5.152 -5.388
260 HA TYR 41 HA TYR 41 -7.342 -4.561 -3.982
261 HB2 TYR 41 2HB TYR 41 -7.360 -5.336 -6.339
262 HB3 TYR 41 1HB TYR 41 -6.903 -6.946 -5.786
263 HD1 TYR 41 1HD TYR 41 -9.591 -4.431 -5.794
264 HD2 TYR 41 2HD TYR 41 -8.526 -8.409 -4.746
265 HE1 TYR 41 1HE TYR 41 -11.946 -4.942 -5.390
266 HE2 TYR 41 2HE TYR 41 -10.890 -8.941 -4.350
267 HH TYR 41 HH TYR 41 -13.392 -7.089 -5.405
268 H GLN 42 H GLN 42 -8.324 -5.429 -2.346
269 HA GLN 42 HA GLN 42 -7.468 -7.973 -1.253
270 HB2 GLN 42 2HB GLN 42 -6.367 -6.172 0.052
271 HB3 GLN 42 1HB GLN 42 -7.916 -5.375 0.258
272 HG2 GLN 42 2HG GLN 42 -8.728 -7.279 1.549
273 HG3 GLN 42 1HG GLN 42 -7.174 -8.079 1.357
274 HE21 GLN 42 1HE2 GLN 42 -8.897 -5.500 2.848
275 HE22 GLN 42 2HE2 GLN 42 -7.727 -5.120 4.050
276 H PHE 43 H PHE 43 -9.337 -8.810 0.051
277 HA PHE 43 HA PHE 43 -11.708 -8.082 -1.305
278 HB2 PHE 43 2HB PHE 43 -11.305 -10.454 -0.843
279 HB3 PHE 43 1HB PHE 43 -11.279 -10.133 0.888
280 HD1 PHE 43 1HD PHE 43 -13.446 -10.088 -2.111
281 HD2 PHE 43 2HD PHE 43 -13.277 -10.131 2.142
282 HE1 PHE 43 1HE PHE 43 -15.867 -10.456 -2.013
283 HE2 PHE 43 2HE PHE 43 -15.693 -10.499 2.241
284 HZ PHE 43 HZ PHE 43 -16.995 -10.661 0.161
285 HA PRO 44 HA PRO 44 -13.463 -7.516 -1.473
286 HB2 PRO 44 2HB PRO 44 -15.683 -6.016 -1.156
287 HB3 PRO 44 1HB PRO 44 -15.524 -7.643 -0.490
288 HG2 PRO 44 2HG PRO 44 -15.690 -5.119 0.930
289 HG3 PRO 44 1HG PRO 44 -15.703 -6.760 1.587
290 HD2 PRO 44 2HD PRO 44 -13.454 -4.855 1.348
291 HD3 PRO 44 1HD PRO 44 -13.625 -6.268 2.411
292 H SER 45 H SER 45 -11.733 -5.038 -0.502
293 HA SER 45 HA SER 45 -12.325 -3.402 -2.810
294 HB2 SER 45 2HB SER 45 -12.203 -1.329 -1.282
295 HB3 SER 45 1HB SER 45 -13.704 -2.260 -1.290
296 HG SER 45 HG SER 45 -11.924 -3.208 0.533
297 H VAL 46 H VAL 46 -10.585 -2.271 -3.601
298 HA VAL 46 HA VAL 46 -8.058 -3.284 -2.830
299 HB VAL 46 HB VAL 46 -8.339 -2.839 -5.198
300 HG11 VAL 46 1HG1 VAL 46 -8.832 0.005 -4.465
301 HG12 VAL 46 2HG1 VAL 46 -9.988 -1.155 -5.182
302 HG13 VAL 46 3HG1 VAL 46 -8.557 -0.629 -6.088
303 HG21 VAL 46 3HG2 VAL 46 -6.087 -2.491 -4.431
304 HG22 VAL 46 1HG2 VAL 46 -6.461 -0.812 -4.051
305 HG23 VAL 46 2HG2 VAL 46 -6.474 -1.359 -5.729
306 H LYS 47 H LYS 47 -6.528 -2.573 -1.606
307 HA LYS 47 HA LYS 47 -7.038 -0.061 -0.194
308 HB2 LYS 47 2HB LYS 47 -7.791 -2.069 1.072
309 HB3 LYS 47 1HB LYS 47 -6.167 -2.712 0.985
310 HG2 LYS 47 2HG LYS 47 -5.348 -0.912 2.377
311 HG3 LYS 47 1HG LYS 47 -6.949 -0.166 2.382
312 HD2 LYS 47 2HD LYS 47 -7.872 -2.140 3.480
313 HD3 LYS 47 1HD LYS 47 -6.280 -2.897 3.467
314 HE2 LYS 47 2HE LYS 47 -5.409 -1.186 4.916
315 HE3 LYS 47 1HE LYS 47 -6.929 -0.298 4.839
316 HZ1 LYS 47 3HZ LYS 47 -8.025 -2.113 5.913
317 HZ2 LYS 47 1HZ LYS 47 -6.745 -1.595 6.874
318 HZ3 LYS 47 2HZ LYS 47 -6.626 -3.024 5.962
319 H CYS 48 H CYS 48 -5.015 0.638 0.979
320 HA CYS 48 HA CYS 48 -2.823 0.686 -0.853
321 HB2 CYS 48 2HB CYS 48 -3.512 2.671 0.401
322 HB3 CYS 48 1HB CYS 48 -3.186 1.846 1.913
323 H PHE 49 H PHE 49 -1.131 -0.614 -0.848
324 HA PHE 49 HA PHE 49 -0.439 -2.088 1.580
325 HB2 PHE 49 2HB PHE 49 -0.508 -3.040 -1.289
326 HB3 PHE 49 1HB PHE 49 0.479 -3.808 -0.058
327 HD1 PHE 49 2HD PHE 49 -3.106 -2.721 -0.392
328 HD2 PHE 49 1HD PHE 49 -0.361 -5.747 0.764
329 HE1 PHE 49 2HE PHE 49 -4.978 -4.202 0.193
330 HE2 PHE 49 1HE PHE 49 -2.221 -7.227 1.343
331 HZ PHE 49 HZ PHE 49 -4.538 -6.456 1.063
332 H CYS 50 H CYS 50 1.493 -1.530 2.230
333 HA CYS 50 HA CYS 50 3.268 0.069 0.670
334 HB2 CYS 50 2HB CYS 50 3.656 -1.300 3.334
335 HB3 CYS 50 1HB CYS 50 4.841 -0.236 2.592
336 H LYS 51 H LYS 51 5.101 -0.509 -0.367
337 HA LYS 51 HA LYS 51 5.373 -3.385 -0.855
338 HB2 LYS 51 2HB LYS 51 6.679 -1.144 -2.435
339 HB3 LYS 51 1HB LYS 51 6.518 -2.828 -2.879
340 HG2 LYS 51 2HG LYS 51 4.072 -2.589 -3.035
341 HG3 LYS 51 1HG LYS 51 4.220 -0.883 -2.632
342 HD2 LYS 51 2HD LYS 51 4.003 -0.980 -4.984
343 HD3 LYS 51 1HD LYS 51 5.710 -0.670 -4.678
344 HE2 LYS 51 2HE LYS 51 5.591 -2.317 -6.391
345 HE3 LYS 51 1HE LYS 51 6.093 -3.148 -4.922
346 HZ1 LYS 51 3HZ LYS 51 3.411 -3.193 -6.197
347 HZ2 LYS 51 1HZ LYS 51 3.678 -3.812 -4.644
348 HZ3 LYS 51 2HZ LYS 51 4.473 -4.468 -5.964
349 H ARG 52 H ARG 52 6.669 -4.218 0.634
350 HA ARG 52 HA ARG 52 9.038 -2.689 1.394
351 HB2 ARG 52 2HB ARG 52 9.323 -4.142 3.278
352 HB3 ARG 52 1HB ARG 52 7.610 -3.782 3.182
353 HG2 ARG 52 2HG ARG 52 7.175 -5.965 2.217
354 HG3 ARG 52 1HG ARG 52 8.902 -6.331 2.221
355 HD2 ARG 52 2HD ARG 52 8.864 -5.978 4.717
356 HD3 ARG 52 1HD ARG 52 7.109 -5.886 4.607
357 HE ARG 52 HE ARG 52 8.400 -8.247 3.508
358 HH11 ARG 52 1HH1 ARG 52 6.570 -6.865 6.217
359 HH12 ARG 52 2HH1 ARG 52 6.173 -8.352 6.919
360 HH21 ARG 52 1HH2 ARG 52 7.903 -10.316 4.506
361 HH22 ARG 52 2HH2 ARG 52 6.962 -10.386 5.917
362 H GLN 53 H GLN 53 11.123 -3.584 1.239
363 HA GLN 53 HA GLN 53 11.349 -5.177 -1.154
364 HB2 GLN 53 2HB GLN 53 12.832 -3.195 -0.677
365 HB3 GLN 53 1HB GLN 53 13.596 -4.159 0.584
366 HG2 GLN 53 2HG GLN 53 14.141 -5.862 -1.157
367 HG3 GLN 53 1HG GLN 53 13.521 -4.742 -2.355
368 HE21 GLN 53 1HE2 GLN 53 16.147 -5.875 -2.025
369 HE22 GLN 53 2HE2 GLN 53 17.246 -4.555 -1.922
370 H CYS 54 H CYS 54 11.533 -7.288 -1.159
371 HA CYS 54 HA CYS 54 12.234 -8.563 1.356
372 HB2 CYS 54 2HB CYS 54 10.613 -9.605 -0.972
373 HB3 CYS 54 1HB CYS 54 11.046 -10.564 0.444
Start of MODEL 8
1 H1 ASP 1 1HT ASP 1 10.258 -5.081 -9.837
2 H2 ASP 1 2HT ASP 1 10.075 -6.552 -9.044
3 H3 ASP 1 3HT ASP 1 9.044 -6.146 -10.320
4 HA ASP 1 HA ASP 1 10.759 -7.745 -10.982
5 HB2 ASP 1 2HB ASP 1 11.078 -4.983 -12.201
6 HB3 ASP 1 1HB ASP 1 11.620 -6.486 -12.944
7 H GLY 2 H GLY 2 12.900 -8.306 -11.041
8 HA2 GLY 2 2HA GLY 2 15.133 -8.205 -10.453
9 HA3 GLY 2 1HA GLY 2 14.910 -6.513 -9.991
10 H VAL 3 H VAL 3 13.580 -6.148 -8.108
11 HA VAL 3 HA VAL 3 14.139 -8.066 -6.010
12 HB VAL 3 HB VAL 3 13.362 -6.199 -4.484
13 HG11 VAL 3 1HG1 VAL 3 15.738 -6.592 -4.881
14 HG12 VAL 3 2HG1 VAL 3 15.405 -4.871 -4.693
15 HG13 VAL 3 3HG1 VAL 3 15.674 -5.544 -6.300
16 HG21 VAL 3 3HG2 VAL 3 13.267 -3.916 -5.385
17 HG22 VAL 3 1HG2 VAL 3 12.015 -4.938 -6.092
18 HG23 VAL 3 2HG2 VAL 3 13.465 -4.550 -7.017
19 H LYS 4 H LYS 4 12.517 -9.051 -4.916
20 HA LYS 4 HA LYS 4 9.862 -8.864 -6.034
21 HB2 LYS 4 2HB LYS 4 10.981 -10.665 -3.874
22 HB3 LYS 4 1HB LYS 4 9.358 -10.759 -4.537
23 HG2 LYS 4 2HG LYS 4 11.941 -11.320 -5.974
24 HG3 LYS 4 1HG LYS 4 10.697 -12.484 -5.514
25 HD2 LYS 4 2HD LYS 4 9.103 -11.238 -6.989
26 HD3 LYS 4 1HD LYS 4 10.475 -10.255 -7.513
27 HE2 LYS 4 2HE LYS 4 10.088 -11.980 -9.136
28 HE3 LYS 4 1HE LYS 4 11.599 -12.316 -8.294
29 HZ1 LYS 4 3HZ LYS 4 10.418 -13.958 -6.945
30 HZ2 LYS 4 1HZ LYS 4 10.238 -14.296 -8.591
31 HZ3 LYS 4 2HZ LYS 4 8.977 -13.583 -7.741
32 H LEU 5 H LEU 5 8.561 -7.397 -5.252
33 HA LEU 5 HA LEU 5 9.015 -6.504 -2.521
34 HB2 LEU 5 2HB LEU 5 7.386 -5.136 -4.666
35 HB3 LEU 5 1HB LEU 5 7.850 -4.525 -3.078
36 HG LEU 5 HG LEU 5 9.795 -5.148 -5.272
37 HD11 LEU 5 1HD1 LEU 5 8.361 -3.267 -5.891
38 HD12 LEU 5 2HD1 LEU 5 10.006 -2.731 -5.551
39 HD13 LEU 5 3HD1 LEU 5 8.734 -2.476 -4.358
40 HD21 LEU 5 3HD2 LEU 5 10.121 -3.768 -2.612
41 HD22 LEU 5 1HD2 LEU 5 11.362 -3.856 -3.865
42 HD23 LEU 5 2HD2 LEU 5 10.786 -5.330 -3.095
43 H CYS 6 H CYS 6 7.515 -6.684 -1.096
44 HA CYS 6 HA CYS 6 5.155 -8.232 -1.870
45 HB2 CYS 6 2HB CYS 6 6.282 -7.801 0.900
46 HB3 CYS 6 1HB CYS 6 4.952 -8.875 0.476
47 H ASP 7 H ASP 7 3.196 -7.410 -1.763
48 HA ASP 7 HA ASP 7 2.875 -4.618 -1.137
49 HB2 ASP 7 2HB ASP 7 0.916 -6.715 -2.143
50 HB3 ASP 7 1HB ASP 7 0.480 -5.036 -1.903
51 H VAL 8 H VAL 8 2.768 -4.122 0.902
52 HA VAL 8 HA VAL 8 1.427 -5.892 2.844
53 HB VAL 8 HB VAL 8 3.373 -3.614 3.320
54 HG11 VAL 8 1HG1 VAL 8 3.544 -4.467 5.604
55 HG12 VAL 8 2HG1 VAL 8 2.303 -5.671 5.249
56 HG13 VAL 8 3HG1 VAL 8 1.901 -3.954 5.218
57 HG21 VAL 8 3HG2 VAL 8 3.852 -6.588 3.427
58 HG22 VAL 8 1HG2 VAL 8 5.018 -5.332 3.843
59 HG23 VAL 8 2HG2 VAL 8 4.439 -5.482 2.184
60 HA PRO 9 HA PRO 9 -1.894 -2.804 2.811
61 HB2 PRO 9 2HB PRO 9 -2.580 -4.102 5.394
62 HB3 PRO 9 1HB PRO 9 -3.597 -3.853 3.971
63 HG2 PRO 9 2HG PRO 9 -2.662 -6.267 4.602
64 HG3 PRO 9 1HG PRO 9 -2.787 -5.742 2.913
65 HD2 PRO 9 2HD PRO 9 -0.371 -5.936 4.661
66 HD3 PRO 9 1HD PRO 9 -0.559 -6.294 2.931
67 H SER 10 H SER 10 -1.268 -0.806 3.339
68 HA SER 10 HA SER 10 0.475 -0.043 5.366
69 HB2 SER 10 2HB SER 10 -1.629 1.687 4.110
70 HB3 SER 10 1HB SER 10 -0.001 2.135 4.630
71 HG SER 10 HG SER 10 0.850 1.168 2.917
72 H GLY 11 H GLY 11 0.153 0.547 7.473
73 HA2 GLY 11 2HA GLY 11 -2.368 -0.071 8.697
74 HA3 GLY 11 1HA GLY 11 -0.919 0.527 9.501
75 H THR 12 H THR 12 -0.602 2.744 7.757
76 HA THR 12 HA THR 12 -2.125 4.662 9.091
77 HB THR 12 HB THR 12 0.041 5.228 8.227
78 HG1 THR 12 1HG THR 12 -1.822 6.807 8.207
79 HG21 THR 12 3HG2 THR 12 0.466 5.496 5.809
80 HG22 THR 12 1HG2 THR 12 -1.136 4.838 5.469
81 HG23 THR 12 2HG2 THR 12 0.091 3.823 6.229
82 H TRP 13 H TRP 13 -2.829 2.935 6.132
83 HA TRP 13 HA TRP 13 -4.881 4.946 5.530
84 HB2 TRP 13 2HB TRP 13 -3.127 4.498 3.784
85 HB3 TRP 13 1HB TRP 13 -3.792 2.872 3.667
86 HD1 TRP 13 HD TRP 13 -6.649 2.941 3.002
87 HE1 TRP 13 1HE TRP 13 -7.728 4.382 1.148
88 HE3 TRP 13 3HE TRP 13 -2.977 6.449 2.425
89 HZ2 TRP 13 2HZ TRP 13 -7.100 6.656 -0.358
90 HZ3 TRP 13 3HZ TRP 13 -3.288 8.214 0.749
91 HH2 TRP 13 HH TRP 13 -5.312 8.315 -0.615
92 H SER 14 H SER 14 -6.727 4.360 6.322
93 HA SER 14 HA SER 14 -7.581 1.581 6.164
94 HB2 SER 14 2HB SER 14 -8.657 3.868 7.834
95 HB3 SER 14 1HB SER 14 -9.050 2.158 8.004
96 HG SER 14 HG SER 14 -7.201 3.468 9.225
97 H GLY 15 H GLY 15 -9.280 1.189 4.752
98 HA2 GLY 15 2HA GLY 15 -11.412 1.822 3.902
99 HA3 GLY 15 1HA GLY 15 -10.868 3.490 3.889
100 H HIS 16 H HIS 16 -11.748 3.314 1.713
101 HA HIS 16 HA HIS 16 -10.608 1.686 -0.290
102 HB2 HIS 16 2HB HIS 16 -12.862 2.696 -0.479
103 HB3 HIS 16 1HB HIS 16 -12.130 4.288 -0.569
104 HD1 HIS 16 1HD HIS 16 -12.591 1.150 -2.594
105 HD2 HIS 16 2HD HIS 16 -11.173 5.025 -3.053
106 HE1 HIS 16 1HE HIS 16 -12.216 1.460 -5.076
107 H CYS 17 H CYS 17 -8.971 1.979 -1.635
108 HA CYS 17 HA CYS 17 -7.449 4.476 -1.410
109 HB2 CYS 17 2HB CYS 17 -6.327 2.384 -0.559
110 HB3 CYS 17 1HB CYS 17 -6.414 1.743 -2.190
111 H GLY 18 H GLY 18 -7.943 5.646 -3.153
112 HA2 GLY 18 2HA GLY 18 -7.796 4.290 -5.762
113 HA3 GLY 18 1HA GLY 18 -9.035 5.498 -5.422
114 H SER 19 H SER 19 -5.773 5.649 -4.251
115 HA SER 19 HA SER 19 -4.987 7.633 -6.200
116 HB2 SER 19 2HB SER 19 -5.143 8.271 -3.236
117 HB3 SER 19 1HB SER 19 -4.515 9.345 -4.485
118 HG SER 19 HG SER 19 -6.741 8.960 -5.433
119 H SER 20 H SER 20 -3.293 6.346 -6.774
120 HA SER 20 HA SER 20 -1.805 4.671 -5.144
121 HB2 SER 20 2HB SER 20 -2.007 4.488 -7.604
122 HB3 SER 20 1HB SER 20 -0.969 5.897 -7.777
123 HG SER 20 HG SER 20 -0.194 3.485 -7.722
124 H SER 21 H SER 21 -0.865 7.937 -6.325
125 HA SER 21 HA SER 21 1.634 7.843 -5.016
126 HB2 SER 21 2HB SER 21 0.128 10.244 -6.068
127 HB3 SER 21 1HB SER 21 1.855 10.149 -5.717
128 HG SER 21 HG SER 21 1.992 8.475 -7.249
129 H LYS 22 H LYS 22 -1.547 9.001 -4.092
130 HA LYS 22 HA LYS 22 -0.670 10.333 -1.721
131 HB2 LYS 22 2HB LYS 22 -3.381 9.175 -2.401
132 HB3 LYS 22 1HB LYS 22 -3.054 10.104 -0.949
133 HG2 LYS 22 2HG LYS 22 -2.848 11.098 -3.789
134 HG3 LYS 22 1HG LYS 22 -4.113 11.495 -2.623
135 HD2 LYS 22 2HD LYS 22 -2.372 12.481 -1.153
136 HD3 LYS 22 1HD LYS 22 -1.183 12.181 -2.418
137 HE2 LYS 22 2HE LYS 22 -1.892 14.475 -2.529
138 HE3 LYS 22 1HE LYS 22 -2.485 13.609 -3.943
139 HZ1 LYS 22 3HZ LYS 22 -4.161 15.067 -2.986
140 HZ2 LYS 22 1HZ LYS 22 -4.063 14.253 -1.519
141 HZ3 LYS 22 2HZ LYS 22 -4.666 13.469 -2.892
142 H CYS 23 H CYS 23 -1.854 7.102 -2.399
143 HA CYS 23 HA CYS 23 -1.693 5.954 0.112
144 HB2 CYS 23 2HB CYS 23 -2.673 4.743 -1.713
145 HB3 CYS 23 1HB CYS 23 -1.208 4.868 -2.665
146 H SER 24 H SER 24 0.787 6.186 -2.418
147 HA SER 24 HA SER 24 2.865 4.962 -1.060
148 HB2 SER 24 2HB SER 24 2.743 5.578 -3.521
149 HB3 SER 24 1HB SER 24 3.160 7.223 -3.022
150 HG SER 24 HG SER 24 5.120 6.523 -3.233
151 H GLN 25 H GLN 25 2.023 8.433 -1.251
152 HA GLN 25 HA GLN 25 4.217 9.300 0.263
153 HB2 GLN 25 2HB GLN 25 2.896 10.767 -1.229
154 HB3 GLN 25 1HB GLN 25 1.560 10.688 -0.091
155 HG2 GLN 25 2HG GLN 25 2.803 12.762 0.168
156 HG3 GLN 25 1HG GLN 25 2.931 11.762 1.613
157 HE21 GLN 25 1HE2 GLN 25 4.896 10.816 2.126
158 HE22 GLN 25 2HE2 GLN 25 6.385 11.287 1.396
159 H GLN 26 H GLN 26 0.885 8.530 1.227
160 HA GLN 26 HA GLN 26 1.236 9.337 3.923
161 HB2 GLN 26 2HB GLN 26 -0.951 8.827 2.536
162 HB3 GLN 26 1HB GLN 26 -0.716 7.197 3.149
163 HG2 GLN 26 2HG GLN 26 -0.756 8.074 5.448
164 HG3 GLN 26 1HG GLN 26 -1.056 9.690 4.807
165 HE21 GLN 26 1HE2 GLN 26 -2.387 6.671 5.581
166 HE22 GLN 26 2HE2 GLN 26 -4.036 7.022 5.182
167 H CYS 27 H CYS 27 1.595 6.282 2.191
168 HA CYS 27 HA CYS 27 2.181 4.598 4.334
169 HB2 CYS 27 2HB CYS 27 1.775 3.590 2.214
170 HB3 CYS 27 1HB CYS 27 3.024 4.554 1.437
171 H LYS 28 H LYS 28 4.421 6.334 2.166
172 HA LYS 28 HA LYS 28 6.771 5.627 3.520
173 HB2 LYS 28 2HB LYS 28 6.169 7.999 1.761
174 HB3 LYS 28 1HB LYS 28 7.772 7.580 2.343
175 HG2 LYS 28 2HG LYS 28 7.706 5.486 1.129
176 HG3 LYS 28 1HG LYS 28 6.044 5.806 0.632
177 HD2 LYS 28 2HD LYS 28 7.669 6.308 -1.165
178 HD3 LYS 28 1HD LYS 28 6.763 7.733 -0.659
179 HE2 LYS 28 2HE LYS 28 8.645 8.456 0.712
180 HE3 LYS 28 1HE LYS 28 9.547 7.010 0.258
181 HZ1 LYS 28 3HZ LYS 28 10.203 8.983 -0.986
182 HZ2 LYS 28 1HZ LYS 28 8.652 9.133 -1.623
183 HZ3 LYS 28 2HZ LYS 28 9.617 7.795 -2.002
184 H ASP 29 H ASP 29 4.461 8.165 4.156
185 HA ASP 29 HA ASP 29 6.201 9.674 5.844
186 HB2 ASP 29 2HB ASP 29 4.259 10.713 4.757
187 HB3 ASP 29 1HB ASP 29 3.183 9.693 5.704
188 H ARG 30 H ARG 30 3.501 7.470 6.518
189 HA ARG 30 HA ARG 30 4.029 7.567 9.355
190 HB2 ARG 30 2HB ARG 30 2.031 6.090 7.701
191 HB3 ARG 30 1HB ARG 30 2.288 5.662 9.379
192 HG2 ARG 30 2HG ARG 30 0.372 7.107 9.152
193 HG3 ARG 30 1HG ARG 30 1.641 7.928 10.052
194 HD2 ARG 30 2HD ARG 30 2.111 9.339 8.201
195 HD3 ARG 30 1HD ARG 30 1.160 8.331 7.106
196 HE ARG 30 HE ARG 30 -0.742 8.976 8.701
197 HH11 ARG 30 1HH1 ARG 30 1.865 11.223 7.844
198 HH12 ARG 30 2HH1 ARG 30 0.850 12.589 7.866
199 HH21 ARG 30 1HH2 ARG 30 -2.076 10.807 8.742
200 HH22 ARG 30 2HH2 ARG 30 -1.468 12.373 8.397
201 H GLU 31 H GLU 31 4.028 4.914 7.002
202 HA GLU 31 HA GLU 31 5.625 3.281 8.777
203 HB2 GLU 31 2HB GLU 31 4.223 2.849 6.141
204 HB3 GLU 31 1HB GLU 31 5.487 1.749 6.640
205 HG2 GLU 31 2HG GLU 31 3.305 0.820 7.134
206 HG3 GLU 31 1HG GLU 31 4.175 1.137 8.620
207 H HIS 32 H HIS 32 7.530 2.124 7.460
208 HA HIS 32 HA HIS 32 8.845 4.202 5.892
209 HB2 HIS 32 2HB HIS 32 9.976 3.977 8.103
210 HB3 HIS 32 1HB HIS 32 10.235 2.270 7.772
211 HD1 HIS 32 1HD HIS 32 11.706 5.642 7.118
212 HD2 HIS 32 2HD HIS 32 12.206 1.745 5.753
213 HE1 HIS 32 1HE HIS 32 13.916 5.608 5.915
214 H PHE 33 H PHE 33 8.038 3.355 4.059
215 HA PHE 33 HA PHE 33 9.524 1.032 3.195
216 HB2 PHE 33 2HB PHE 33 6.630 1.622 2.488
217 HB3 PHE 33 1HB PHE 33 7.607 0.393 1.696
218 HD1 PHE 33 2HD PHE 33 8.545 -1.494 3.160
219 HD2 PHE 33 1HD PHE 33 5.441 1.111 4.442
220 HE1 PHE 33 2HE PHE 33 7.899 -3.117 4.895
221 HE2 PHE 33 1HE PHE 33 4.796 -0.506 6.173
222 HZ PHE 33 HZ PHE 33 6.021 -2.625 6.399
223 H ALA 34 H ALA 34 11.032 1.965 2.122
224 HA ALA 34 HA ALA 34 10.858 4.433 0.780
225 HB1 ALA 34 1HB ALA 34 12.938 2.277 0.490
226 HB2 ALA 34 2HB ALA 34 12.940 3.558 1.705
227 HB3 ALA 34 3HB ALA 34 13.113 3.959 -0.005
228 H TYR 35 H TYR 35 9.872 1.380 -0.222
229 HA TYR 35 HA TYR 35 10.195 1.963 -3.034
230 HB2 TYR 35 2HB TYR 35 8.992 -0.397 -1.594
231 HB3 TYR 35 1HB TYR 35 8.983 -0.229 -3.345
232 HD1 TYR 35 1HD TYR 35 11.046 -0.378 -4.608
233 HD2 TYR 35 2HD TYR 35 11.027 -0.967 -0.400
234 HE1 TYR 35 1HE TYR 35 13.256 -1.390 -4.759
235 HE2 TYR 35 2HE TYR 35 13.249 -1.981 -0.527
236 HH TYR 35 HH TYR 35 14.677 -3.115 -2.200
237 H GLY 36 H GLY 36 8.074 2.846 -0.666
238 HA2 GLY 36 2HA GLY 36 6.266 4.217 -0.891
239 HA3 GLY 36 1HA GLY 36 6.281 3.927 -2.623
240 H GLY 37 H GLY 37 4.014 3.789 -2.447
241 HA2 GLY 37 2HA GLY 37 3.142 1.086 -1.898
242 HA3 GLY 37 1HA GLY 37 2.345 2.368 -0.982
243 H ALA 38 H ALA 38 0.833 0.848 -2.569
244 HA ALA 38 HA ALA 38 -0.161 2.769 -4.450
245 HB1 ALA 38 1HB ALA 38 -0.216 1.229 -6.337
246 HB2 ALA 38 2HB ALA 38 0.627 0.006 -5.391
247 HB3 ALA 38 3HB ALA 38 1.453 1.501 -5.833
248 H CYS 39 H CYS 39 -2.303 2.012 -5.249
249 HA CYS 39 HA CYS 39 -3.676 0.782 -3.040
250 HB2 CYS 39 2HB CYS 39 -4.746 1.800 -5.673
251 HB3 CYS 39 1HB CYS 39 -5.693 1.414 -4.245
252 H HIS 40 H HIS 40 -4.183 -1.307 -2.975
253 HA HIS 40 HA HIS 40 -4.140 -2.811 -5.494
254 HB2 HIS 40 2HB HIS 40 -2.012 -3.208 -4.303
255 HB3 HIS 40 1HB HIS 40 -2.894 -3.644 -2.855
256 HD1 HIS 40 1HD HIS 40 -3.817 -6.073 -2.727
257 HD2 HIS 40 2HD HIS 40 -1.889 -5.157 -6.284
258 HE1 HIS 40 1HE HIS 40 -3.501 -8.272 -3.932
259 H TYR 41 H TYR 41 -5.766 -4.138 -5.813
260 HA TYR 41 HA TYR 41 -7.819 -4.260 -3.763
261 HB2 TYR 41 2HB TYR 41 -8.301 -3.756 -6.255
262 HB3 TYR 41 1HB TYR 41 -7.971 -5.465 -6.518
263 HD1 TYR 41 2HD TYR 41 -9.414 -7.184 -5.129
264 HD2 TYR 41 1HD TYR 41 -10.435 -3.074 -5.599
265 HE1 TYR 41 2HE TYR 41 -11.710 -7.680 -4.485
266 HE2 TYR 41 1HE TYR 41 -12.719 -3.562 -4.950
267 HH TYR 41 HH TYR 41 -13.678 -6.458 -3.524
268 H GLN 42 H GLN 42 -7.692 -5.806 -2.425
269 HA GLN 42 HA GLN 42 -6.818 -8.428 -3.369
270 HB2 GLN 42 2HB GLN 42 -5.143 -7.301 -1.840
271 HB3 GLN 42 1HB GLN 42 -6.397 -7.233 -0.613
272 HG2 GLN 42 2HG GLN 42 -6.533 -9.651 -0.623
273 HG3 GLN 42 1HG GLN 42 -5.244 -9.758 -1.804
274 HE21 GLN 42 1HE2 GLN 42 -3.790 -10.842 -0.419
275 HE22 GLN 42 2HE2 GLN 42 -3.139 -10.081 0.984
276 H PHE 43 H PHE 43 -7.894 -10.044 -1.800
277 HA PHE 43 HA PHE 43 -10.546 -9.396 -1.622
278 HB2 PHE 43 2HB PHE 43 -9.896 -11.677 -1.874
279 HB3 PHE 43 1HB PHE 43 -8.998 -11.661 -0.359
280 HD1 PHE 43 2HD PHE 43 -12.418 -11.395 -1.767
281 HD2 PHE 43 1HD PHE 43 -10.031 -12.302 1.635
282 HE1 PHE 43 2HE PHE 43 -14.405 -12.212 -0.591
283 HE2 PHE 43 1HE PHE 43 -12.017 -13.118 2.815
284 HZ PHE 43 HZ PHE 43 -14.206 -13.077 1.706
285 HA PRO 44 HA PRO 44 -12.194 -8.949 -0.878
286 HB2 PRO 44 2HB PRO 44 -14.083 -7.740 0.553
287 HB3 PRO 44 1HB PRO 44 -13.551 -9.385 0.909
288 HG2 PRO 44 2HG PRO 44 -13.119 -6.927 2.455
289 HG3 PRO 44 1HG PRO 44 -12.957 -8.613 2.962
290 HD2 PRO 44 2HD PRO 44 -10.881 -6.749 2.079
291 HD3 PRO 44 1HD PRO 44 -10.698 -8.338 2.850
292 H SER 45 H SER 45 -10.419 -6.199 -0.045
293 HA SER 45 HA SER 45 -11.919 -4.564 -1.921
294 HB2 SER 45 2HB SER 45 -11.778 -2.653 -0.194
295 HB3 SER 45 1HB SER 45 -13.030 -3.876 0.009
296 HG SER 45 HG SER 45 -10.499 -3.919 1.320
297 H VAL 46 H VAL 46 -10.772 -2.432 -2.357
298 HA VAL 46 HA VAL 46 -7.912 -2.909 -2.494
299 HB VAL 46 HB VAL 46 -8.842 -2.227 -4.647
300 HG11 VAL 46 1HG1 VAL 46 -9.836 0.220 -3.269
301 HG12 VAL 46 2HG1 VAL 46 -10.800 -1.093 -3.997
302 HG13 VAL 46 3HG1 VAL 46 -9.785 -0.053 -5.011
303 HG21 VAL 46 3HG2 VAL 46 -6.611 -1.404 -4.199
304 HG22 VAL 46 1HG2 VAL 46 -7.283 0.047 -3.459
305 HG23 VAL 46 2HG2 VAL 46 -7.516 -0.250 -5.182
306 H LYS 47 H LYS 47 -6.560 -2.209 -1.267
307 HA LYS 47 HA LYS 47 -7.196 0.079 0.484
308 HB2 LYS 47 2HB LYS 47 -7.334 -2.325 1.466
309 HB3 LYS 47 1HB LYS 47 -5.593 -2.345 1.304
310 HG2 LYS 47 2HG LYS 47 -5.398 -0.510 2.906
311 HG3 LYS 47 1HG LYS 47 -7.167 -0.415 3.019
312 HD2 LYS 47 2HD LYS 47 -7.100 -2.855 3.663
313 HD3 LYS 47 1HD LYS 47 -5.360 -2.671 3.815
314 HE2 LYS 47 2HE LYS 47 -7.392 -1.055 5.354
315 HE3 LYS 47 1HE LYS 47 -6.610 -2.531 5.901
316 HZ1 LYS 47 3HZ LYS 47 -5.288 0.120 5.464
317 HZ2 LYS 47 1HZ LYS 47 -4.440 -1.330 5.754
318 HZ3 LYS 47 2HZ LYS 47 -5.498 -0.770 6.865
319 H CYS 48 H CYS 48 -4.863 0.571 1.577
320 HA CYS 48 HA CYS 48 -3.129 1.162 -0.688
321 HB2 CYS 48 2HB CYS 48 -3.734 2.908 1.010
322 HB3 CYS 48 1HB CYS 48 -2.959 1.905 2.223
323 H PHE 49 H PHE 49 -1.378 -0.062 -1.088
324 HA PHE 49 HA PHE 49 -0.437 -1.825 1.043
325 HB2 PHE 49 2HB PHE 49 -0.807 -2.441 -1.889
326 HB3 PHE 49 1HB PHE 49 0.248 -3.372 -0.841
327 HD1 PHE 49 1HD PHE 49 -3.301 -2.171 -0.938
328 HD2 PHE 49 2HD PHE 49 -0.605 -5.286 0.099
329 HE1 PHE 49 1HE PHE 49 -5.195 -3.613 -0.318
330 HE2 PHE 49 2HE PHE 49 -2.493 -6.714 0.726
331 HZ PHE 49 HZ PHE 49 -4.782 -5.884 0.524
332 H CYS 50 H CYS 50 1.486 -1.380 1.591
333 HA CYS 50 HA CYS 50 3.238 0.315 0.058
334 HB2 CYS 50 2HB CYS 50 3.637 -1.157 2.659
335 HB3 CYS 50 1HB CYS 50 4.740 0.030 1.980
336 H LYS 51 H LYS 51 5.261 -0.335 -0.714
337 HA LYS 51 HA LYS 51 5.444 -3.183 -1.345
338 HB2 LYS 51 2HB LYS 51 6.922 -0.786 -2.423
339 HB3 LYS 51 1HB LYS 51 7.180 -2.441 -2.939
340 HG2 LYS 51 2HG LYS 51 4.939 -2.527 -3.855
341 HG3 LYS 51 1HG LYS 51 4.617 -0.895 -3.250
342 HD2 LYS 51 2HD LYS 51 6.361 0.012 -4.638
343 HD3 LYS 51 1HD LYS 51 6.812 -1.597 -5.192
344 HE2 LYS 51 2HE LYS 51 5.505 -0.401 -6.864
345 HE3 LYS 51 1HE LYS 51 4.657 -1.829 -6.296
346 HZ1 LYS 51 3HZ LYS 51 4.131 0.981 -5.490
347 HZ2 LYS 51 1HZ LYS 51 3.320 -0.379 -4.863
348 HZ3 LYS 51 2HZ LYS 51 3.185 0.016 -6.492
349 H ARG 52 H ARG 52 6.562 -4.257 0.183
350 HA ARG 52 HA ARG 52 8.941 -2.927 1.260
351 HB2 ARG 52 2HB ARG 52 9.079 -4.629 2.966
352 HB3 ARG 52 1HB ARG 52 7.445 -3.982 2.944
353 HG2 ARG 52 2HG ARG 52 6.568 -5.925 1.997
354 HG3 ARG 52 1HG ARG 52 8.158 -6.492 1.480
355 HD2 ARG 52 2HD ARG 52 7.326 -6.147 4.340
356 HD3 ARG 52 1HD ARG 52 7.253 -7.687 3.477
357 HE ARG 52 HE ARG 52 9.754 -7.228 3.110
358 HH11 ARG 52 1HH1 ARG 52 8.014 -6.274 6.064
359 HH12 ARG 52 2HH1 ARG 52 9.375 -6.492 7.068
360 HH21 ARG 52 1HH2 ARG 52 11.578 -7.562 4.524
361 HH22 ARG 52 2HH2 ARG 52 11.435 -7.246 6.185
362 H GLN 53 H GLN 53 10.878 -4.246 1.454
363 HA GLN 53 HA GLN 53 11.361 -5.547 -1.079
364 HB2 GLN 53 2HB GLN 53 12.833 -3.843 0.394
365 HB3 GLN 53 1HB GLN 53 13.391 -5.347 1.095
366 HG2 GLN 53 2HG GLN 53 13.569 -4.568 -1.808
367 HG3 GLN 53 1HG GLN 53 14.891 -4.558 -0.649
368 HE21 GLN 53 1HE2 GLN 53 15.718 -6.514 0.033
369 HE22 GLN 53 2HE2 GLN 53 15.451 -7.969 -0.851
370 H CYS 54 H CYS 54 11.433 -7.737 -1.253
371 HA CYS 54 HA CYS 54 11.690 -9.294 1.194
372 HB2 CYS 54 2HB CYS 54 9.909 -9.879 -1.194
373 HB3 CYS 54 1HB CYS 54 10.163 -10.975 0.161
Start of MODEL 9
1 H1 ASP 1 1HT ASP 1 11.154 -1.803 -12.049
2 H2 ASP 1 2HT ASP 1 10.958 -2.581 -10.542
3 H3 ASP 1 3HT ASP 1 9.725 -2.630 -11.684
4 HA ASP 1 HA ASP 1 11.025 -3.929 -13.177
5 HB2 ASP 1 2HB ASP 1 13.227 -2.960 -12.026
6 HB3 ASP 1 1HB ASP 1 12.998 -4.311 -10.933
7 H GLY 2 H GLY 2 11.680 -6.376 -12.324
8 HA2 GLY 2 2HA GLY 2 9.360 -7.093 -10.728
9 HA3 GLY 2 1HA GLY 2 10.384 -8.184 -11.656
10 H VAL 3 H VAL 3 11.093 -5.808 -9.174
11 HA VAL 3 HA VAL 3 12.881 -7.652 -7.863
12 HB VAL 3 HB VAL 3 13.431 -5.162 -8.033
13 HG11 VAL 3 1HG1 VAL 3 11.220 -4.255 -7.746
14 HG12 VAL 3 2HG1 VAL 3 12.383 -3.558 -6.615
15 HG13 VAL 3 3HG1 VAL 3 11.243 -4.775 -6.057
16 HG21 VAL 3 3HG2 VAL 3 13.215 -6.209 -5.211
17 HG22 VAL 3 1HG2 VAL 3 14.243 -4.876 -5.738
18 HG23 VAL 3 2HG2 VAL 3 14.546 -6.510 -6.328
19 H LYS 4 H LYS 4 12.531 -8.460 -5.721
20 HA LYS 4 HA LYS 4 9.798 -9.105 -5.291
21 HB2 LYS 4 2HB LYS 4 12.186 -9.695 -3.541
22 HB3 LYS 4 1HB LYS 4 10.583 -10.380 -3.340
23 HG2 LYS 4 2HG LYS 4 12.402 -10.790 -5.702
24 HG3 LYS 4 1HG LYS 4 12.075 -11.953 -4.419
25 HD2 LYS 4 2HD LYS 4 9.728 -12.036 -5.084
26 HD3 LYS 4 1HD LYS 4 10.042 -10.817 -6.322
27 HE2 LYS 4 2HE LYS 4 11.563 -12.328 -7.459
28 HE3 LYS 4 1HE LYS 4 11.303 -13.552 -6.220
29 HZ1 LYS 4 3HZ LYS 4 9.000 -13.672 -6.849
30 HZ2 LYS 4 1HZ LYS 4 9.972 -13.950 -8.194
31 HZ3 LYS 4 2HZ LYS 4 9.208 -12.457 -8.017
32 H LEU 5 H LEU 5 8.624 -7.403 -4.832
33 HA LEU 5 HA LEU 5 9.192 -6.075 -2.285
34 HB2 LEU 5 2HB LEU 5 7.225 -5.172 -4.382
35 HB3 LEU 5 1HB LEU 5 7.739 -4.363 -2.922
36 HG LEU 5 HG LEU 5 9.520 -4.916 -5.233
37 HD11 LEU 5 1HD1 LEU 5 7.753 -3.354 -5.836
38 HD12 LEU 5 2HD1 LEU 5 9.289 -2.487 -5.682
39 HD13 LEU 5 3HD1 LEU 5 8.089 -2.409 -4.385
40 HD21 LEU 5 3HD2 LEU 5 9.881 -3.228 -2.758
41 HD22 LEU 5 1HD2 LEU 5 11.002 -3.280 -4.120
42 HD23 LEU 5 2HD2 LEU 5 10.728 -4.726 -3.154
43 H CYS 6 H CYS 6 7.973 -6.596 -0.782
44 HA CYS 6 HA CYS 6 5.629 -8.195 -1.397
45 HB2 CYS 6 2HB CYS 6 7.275 -8.046 1.118
46 HB3 CYS 6 1HB CYS 6 5.728 -8.887 1.039
47 H ASP 7 H ASP 7 3.698 -7.647 -0.878
48 HA ASP 7 HA ASP 7 3.273 -4.872 -0.286
49 HB2 ASP 7 2HB ASP 7 1.394 -7.077 -1.121
50 HB3 ASP 7 1HB ASP 7 0.871 -5.428 -0.827
51 H VAL 8 H VAL 8 2.980 -4.151 1.583
52 HA VAL 8 HA VAL 8 1.856 -5.827 3.726
53 HB VAL 8 HB VAL 8 3.587 -3.332 3.947
54 HG11 VAL 8 1HG1 VAL 8 3.845 -3.928 6.279
55 HG12 VAL 8 2HG1 VAL 8 2.732 -5.283 6.065
56 HG13 VAL 8 3HG1 VAL 8 2.154 -3.619 5.872
57 HG21 VAL 8 3HG2 VAL 8 5.409 -4.805 4.652
58 HG22 VAL 8 1HG2 VAL 8 4.880 -5.176 3.011
59 HG23 VAL 8 2HG2 VAL 8 4.393 -6.213 4.353
60 HA PRO 9 HA PRO 9 -1.542 -2.981 2.794
61 HB2 PRO 9 2HB PRO 9 -3.289 -3.957 4.645
62 HB3 PRO 9 1HB PRO 9 -3.020 -4.693 3.064
63 HG2 PRO 9 2HG PRO 9 -1.906 -5.469 5.724
64 HG3 PRO 9 1HG PRO 9 -2.502 -6.505 4.416
65 HD2 PRO 9 2HD PRO 9 0.127 -6.091 4.866
66 HD3 PRO 9 1HD PRO 9 -0.524 -6.354 3.234
67 H SER 10 H SER 10 -1.795 -0.948 3.512
68 HA SER 10 HA SER 10 -0.848 -0.121 6.050
69 HB2 SER 10 2HB SER 10 -2.592 1.296 4.029
70 HB3 SER 10 1HB SER 10 -1.740 2.057 5.369
71 HG SER 10 HG SER 10 0.127 0.793 4.084
72 H GLY 11 H GLY 11 -1.955 -0.297 7.914
73 HA2 GLY 11 2HA GLY 11 -4.769 -0.956 7.918
74 HA3 GLY 11 1HA GLY 11 -3.712 -0.833 9.322
75 H THR 12 H THR 12 -2.674 1.694 8.745
76 HA THR 12 HA THR 12 -4.587 3.380 9.879
77 HB THR 12 HB THR 12 -2.313 3.920 10.284
78 HG1 THR 12 1HG THR 12 -3.272 5.814 10.250
79 HG21 THR 12 3HG2 THR 12 -0.695 4.536 8.537
80 HG22 THR 12 1HG2 THR 12 -1.916 4.197 7.311
81 HG23 THR 12 2HG2 THR 12 -1.303 2.893 8.322
82 H TRP 13 H TRP 13 -3.670 2.921 6.477
83 HA TRP 13 HA TRP 13 -5.504 4.862 5.480
84 HB2 TRP 13 2HB TRP 13 -3.569 3.919 4.144
85 HB3 TRP 13 1HB TRP 13 -4.410 2.379 4.111
86 HD1 TRP 13 HD TRP 13 -7.002 2.591 2.799
87 HE1 TRP 13 1HE TRP 13 -7.493 3.801 0.573
88 HE3 TRP 13 3HE TRP 13 -2.937 5.674 2.630
89 HZ2 TRP 13 2HZ TRP 13 -6.294 5.779 -1.049
90 HZ3 TRP 13 3HZ TRP 13 -2.673 7.187 0.700
91 HH2 TRP 13 HH TRP 13 -4.326 7.229 -1.099
92 H SER 14 H SER 14 -7.602 4.624 5.991
93 HA SER 14 HA SER 14 -8.677 1.929 6.054
94 HB2 SER 14 2HB SER 14 -10.576 3.087 7.281
95 HB3 SER 14 1HB SER 14 -9.026 2.996 8.120
96 HG SER 14 HG SER 14 -9.433 5.218 6.519
97 H GLY 15 H GLY 15 -9.471 1.367 4.126
98 HA2 GLY 15 2HA GLY 15 -11.639 1.717 2.979
99 HA3 GLY 15 1HA GLY 15 -11.099 3.377 2.768
100 H HIS 16 H HIS 16 -11.614 2.731 0.594
101 HA HIS 16 HA HIS 16 -10.001 0.952 -0.897
102 HB2 HIS 16 2HB HIS 16 -12.266 1.502 -1.584
103 HB3 HIS 16 1HB HIS 16 -11.854 3.202 -1.726
104 HD1 HIS 16 1HD HIS 16 -11.008 -0.118 -3.371
105 HD2 HIS 16 2HD HIS 16 -11.072 3.954 -4.189
106 HE1 HIS 16 1HE HIS 16 -10.337 0.136 -5.797
107 H CYS 17 H CYS 17 -8.397 1.405 -2.392
108 HA CYS 17 HA CYS 17 -6.927 3.930 -2.045
109 HB2 CYS 17 2HB CYS 17 -5.722 1.816 -1.500
110 HB3 CYS 17 1HB CYS 17 -5.987 1.280 -3.151
111 H GLY 18 H GLY 18 -7.520 5.290 -3.641
112 HA2 GLY 18 2HA GLY 18 -7.419 4.196 -6.360
113 HA3 GLY 18 1HA GLY 18 -8.661 5.351 -5.879
114 H SER 19 H SER 19 -5.372 5.384 -4.768
115 HA SER 19 HA SER 19 -4.595 7.513 -6.532
116 HB2 SER 19 2HB SER 19 -4.874 7.972 -3.547
117 HB3 SER 19 1HB SER 19 -4.141 9.113 -4.671
118 HG SER 19 HG SER 19 -6.536 8.263 -5.515
119 H SER 20 H SER 20 -2.714 6.633 -7.177
120 HA SER 20 HA SER 20 -1.289 4.765 -5.652
121 HB2 SER 20 2HB SER 20 -0.384 6.231 -8.127
122 HB3 SER 20 1HB SER 20 0.224 4.691 -7.515
123 HG SER 20 HG SER 20 -1.946 5.209 -9.025
124 H SER 21 H SER 21 -0.433 8.149 -6.560
125 HA SER 21 HA SER 21 2.049 8.084 -5.240
126 HB2 SER 21 2HB SER 21 0.330 10.461 -5.987
127 HB3 SER 21 1HB SER 21 2.003 10.552 -5.443
128 HG SER 21 HG SER 21 1.496 8.808 -7.526
129 H LYS 22 H LYS 22 -1.147 9.084 -4.183
130 HA LYS 22 HA LYS 22 -0.317 10.094 -1.696
131 HB2 LYS 22 2HB LYS 22 -2.996 8.976 -2.526
132 HB3 LYS 22 1HB LYS 22 -2.698 9.789 -0.997
133 HG2 LYS 22 2HG LYS 22 -2.058 11.817 -2.198
134 HG3 LYS 22 1HG LYS 22 -2.364 11.011 -3.730
135 HD2 LYS 22 2HD LYS 22 -4.715 10.715 -3.088
136 HD3 LYS 22 1HD LYS 22 -4.400 11.544 -1.567
137 HE2 LYS 22 2HE LYS 22 -4.102 12.717 -4.333
138 HE3 LYS 22 1HE LYS 22 -5.404 13.060 -3.203
139 HZ1 LYS 22 3HZ LYS 22 -3.664 13.959 -1.668
140 HZ2 LYS 22 1HZ LYS 22 -3.826 14.818 -3.112
141 HZ3 LYS 22 2HZ LYS 22 -2.544 13.770 -2.923
142 H CYS 23 H CYS 23 -1.176 6.858 -2.767
143 HA CYS 23 HA CYS 23 -1.111 5.679 -0.207
144 HB2 CYS 23 2HB CYS 23 -2.137 4.513 -2.075
145 HB3 CYS 23 1HB CYS 23 -0.610 4.495 -2.945
146 H SER 24 H SER 24 1.375 6.129 -2.712
147 HA SER 24 HA SER 24 3.485 4.821 -1.451
148 HB2 SER 24 2HB SER 24 3.593 7.266 -3.233
149 HB3 SER 24 1HB SER 24 4.919 6.138 -2.937
150 HG SER 24 HG SER 24 2.839 4.708 -3.740
151 H GLN 25 H GLN 25 2.606 8.255 -1.433
152 HA GLN 25 HA GLN 25 4.602 9.145 0.326
153 HB2 GLN 25 2HB GLN 25 1.905 10.283 -0.390
154 HB3 GLN 25 1HB GLN 25 3.118 11.145 0.543
155 HG2 GLN 25 2HG GLN 25 4.599 11.242 -1.293
156 HG3 GLN 25 1HG GLN 25 3.658 10.063 -2.202
157 HE21 GLN 25 1HE2 GLN 25 3.528 11.493 -3.916
158 HE22 GLN 25 2HE2 GLN 25 2.478 12.866 -3.895
159 H GLN 26 H GLN 26 1.286 8.048 0.906
160 HA GLN 26 HA GLN 26 1.129 8.760 3.632
161 HB2 GLN 26 2HB GLN 26 -0.843 8.192 2.226
162 HB3 GLN 26 1HB GLN 26 -0.290 6.538 2.139
163 HG2 GLN 26 2HG GLN 26 -0.865 7.778 4.793
164 HG3 GLN 26 1HG GLN 26 -2.191 7.224 3.786
165 HE21 GLN 26 1HE2 GLN 26 -0.799 4.858 2.740
166 HE22 GLN 26 2HE2 GLN 26 -0.646 3.773 4.047
167 H CYS 27 H CYS 27 2.067 5.656 2.185
168 HA CYS 27 HA CYS 27 2.493 4.720 4.843
169 HB2 CYS 27 2HB CYS 27 1.739 3.224 2.971
170 HB3 CYS 27 1HB CYS 27 3.384 3.314 2.336
171 H LYS 28 H LYS 28 4.483 6.152 2.375
172 HA LYS 28 HA LYS 28 6.946 5.370 3.564
173 HB2 LYS 28 2HB LYS 28 6.661 6.098 1.161
174 HB3 LYS 28 1HB LYS 28 6.456 7.740 1.753
175 HG2 LYS 28 2HG LYS 28 8.671 7.729 2.672
176 HG3 LYS 28 1HG LYS 28 8.901 6.046 2.197
177 HD2 LYS 28 2HD LYS 28 10.019 7.395 0.594
178 HD3 LYS 28 1HD LYS 28 8.553 6.788 -0.173
179 HE2 LYS 28 2HE LYS 28 7.440 8.907 0.188
180 HE3 LYS 28 1HE LYS 28 8.842 9.520 1.066
181 HZ1 LYS 28 3HZ LYS 28 8.830 8.712 -1.786
182 HZ2 LYS 28 1HZ LYS 28 10.143 9.348 -0.962
183 HZ3 LYS 28 2HZ LYS 28 8.776 10.294 -1.249
184 H ASP 29 H ASP 29 4.688 7.967 4.051
185 HA ASP 29 HA ASP 29 6.395 9.515 5.753
186 HB2 ASP 29 2HB ASP 29 4.447 10.588 4.701
187 HB3 ASP 29 1HB ASP 29 3.372 9.492 5.564
188 H ARG 30 H ARG 30 3.758 7.237 6.272
189 HA ARG 30 HA ARG 30 3.934 7.421 9.086
190 HB2 ARG 30 2HB ARG 30 2.710 5.161 7.499
191 HB3 ARG 30 1HB ARG 30 2.478 5.450 9.211
192 HG2 ARG 30 2HG ARG 30 1.429 7.023 6.880
193 HG3 ARG 30 1HG ARG 30 0.535 6.274 8.199
194 HD2 ARG 30 2HD ARG 30 2.282 8.731 8.325
195 HD3 ARG 30 1HD ARG 30 0.536 8.657 8.499
196 HE ARG 30 HE ARG 30 1.012 7.310 10.549
197 HH11 ARG 30 1HH1 ARG 30 3.279 9.800 9.340
198 HH12 ARG 30 2HH1 ARG 30 3.955 10.121 10.857
199 HH21 ARG 30 1HH2 ARG 30 1.947 7.809 12.675
200 HH22 ARG 30 2HH2 ARG 30 3.181 8.961 12.810
201 H GLU 31 H GLU 31 5.119 4.834 6.936
202 HA GLU 31 HA GLU 31 6.816 3.967 9.161
203 HB2 GLU 31 2HB GLU 31 5.516 2.361 6.967
204 HB3 GLU 31 1HB GLU 31 6.745 1.708 8.032
205 HG2 GLU 31 2HG GLU 31 4.023 2.716 8.840
206 HG3 GLU 31 1HG GLU 31 4.509 1.030 8.697
207 H HIS 32 H HIS 32 8.514 2.347 7.855
208 HA HIS 32 HA HIS 32 9.911 4.169 6.076
209 HB2 HIS 32 2HB HIS 32 11.116 3.531 8.166
210 HB3 HIS 32 1HB HIS 32 10.986 1.842 7.710
211 HD1 HIS 32 1HD HIS 32 13.201 4.740 7.395
212 HD2 HIS 32 2HD HIS 32 12.530 1.201 5.317
213 HE1 HIS 32 1HE HIS 32 15.229 4.388 5.959
214 H PHE 33 H PHE 33 8.838 3.611 4.312
215 HA PHE 33 HA PHE 33 9.616 1.040 3.134
216 HB2 PHE 33 2HB PHE 33 6.957 2.446 2.822
217 HB3 PHE 33 1HB PHE 33 7.505 1.206 1.704
218 HD1 PHE 33 1HD PHE 33 6.370 1.879 5.117
219 HD2 PHE 33 2HD PHE 33 7.514 -1.096 2.326
220 HE1 PHE 33 1HE PHE 33 5.430 0.138 6.594
221 HE2 PHE 33 2HE PHE 33 6.569 -2.841 3.801
222 HZ PHE 33 HZ PHE 33 5.535 -2.217 5.927
223 H ALA 34 H ALA 34 11.098 1.436 1.715
224 HA ALA 34 HA ALA 34 11.614 4.001 0.631
225 HB1 ALA 34 1HB ALA 34 13.387 2.380 1.119
226 HB2 ALA 34 2HB ALA 34 13.438 2.931 -0.556
227 HB3 ALA 34 3HB ALA 34 12.781 1.342 -0.172
228 H TYR 35 H TYR 35 9.716 1.356 -0.446
229 HA TYR 35 HA TYR 35 9.520 2.584 -3.092
230 HB2 TYR 35 2HB TYR 35 8.729 -0.161 -2.120
231 HB3 TYR 35 1HB TYR 35 8.224 0.469 -3.681
232 HD1 TYR 35 1HD TYR 35 11.264 -0.303 -1.662
233 HD2 TYR 35 2HD TYR 35 9.617 0.229 -5.545
234 HE1 TYR 35 1HE TYR 35 13.353 -1.117 -2.657
235 HE2 TYR 35 2HE TYR 35 11.717 -0.599 -6.551
236 HH TYR 35 HH TYR 35 14.055 -0.760 -5.953
237 H GLY 36 H GLY 36 8.208 3.150 -0.298
238 HA2 GLY 36 2HA GLY 36 6.279 4.074 0.427
239 HA3 GLY 36 1HA GLY 36 5.908 4.394 -1.263
240 H GLY 37 H GLY 37 4.351 3.262 -2.217
241 HA2 GLY 37 2HA GLY 37 3.520 0.707 -1.612
242 HA3 GLY 37 1HA GLY 37 2.547 1.828 -0.658
243 H ALA 38 H ALA 38 1.310 0.320 -2.505
244 HA ALA 38 HA ALA 38 0.321 2.365 -4.276
245 HB1 ALA 38 1HB ALA 38 1.230 -0.273 -5.425
246 HB2 ALA 38 2HB ALA 38 2.111 1.243 -5.590
247 HB3 ALA 38 3HB ALA 38 0.504 1.077 -6.298
248 H CYS 39 H CYS 39 -1.587 1.262 -5.594
249 HA CYS 39 HA CYS 39 -3.277 0.218 -3.528
250 HB2 CYS 39 2HB CYS 39 -3.865 0.794 -6.443
251 HB3 CYS 39 1HB CYS 39 -5.059 0.511 -5.189
252 H HIS 40 H HIS 40 -3.642 -1.901 -3.183
253 HA HIS 40 HA HIS 40 -3.263 -3.825 -5.372
254 HB2 HIS 40 2HB HIS 40 -1.214 -3.813 -3.960
255 HB3 HIS 40 1HB HIS 40 -2.197 -4.071 -2.533
256 HD1 HIS 40 1HD HIS 40 -0.631 -5.882 -5.412
257 HD2 HIS 40 2HD HIS 40 -3.083 -6.698 -2.157
258 HE1 HIS 40 1HE HIS 40 -0.674 -8.378 -5.187
259 H TYR 41 H TYR 41 -4.640 -5.729 -5.143
260 HA TYR 41 HA TYR 41 -6.981 -5.097 -3.533
261 HB2 TYR 41 2HB TYR 41 -7.408 -5.709 -5.900
262 HB3 TYR 41 1HB TYR 41 -6.703 -7.291 -5.589
263 HD1 TYR 41 1HD TYR 41 -9.583 -5.104 -4.751
264 HD2 TYR 41 2HD TYR 41 -7.993 -9.051 -4.486
265 HE1 TYR 41 1HE TYR 41 -11.729 -5.925 -3.959
266 HE2 TYR 41 2HE TYR 41 -10.147 -9.869 -3.709
267 HH TYR 41 HH TYR 41 -12.977 -8.077 -3.890
268 H GLN 42 H GLN 42 -7.614 -6.028 -1.871
269 HA GLN 42 HA GLN 42 -7.151 -8.780 -1.374
270 HB2 GLN 42 2HB GLN 42 -5.312 -7.640 -0.092
271 HB3 GLN 42 1HB GLN 42 -6.533 -6.623 0.682
272 HG2 GLN 42 2HG GLN 42 -7.543 -8.577 1.682
273 HG3 GLN 42 1HG GLN 42 -6.375 -9.622 0.896
274 HE21 GLN 42 1HE2 GLN 42 -6.966 -9.319 3.695
275 HE22 GLN 42 2HE2 GLN 42 -5.498 -8.847 4.464
276 H PHE 43 H PHE 43 -8.914 -9.405 0.047
277 HA PHE 43 HA PHE 43 -11.206 -7.940 -0.430
278 HB2 PHE 43 2HB PHE 43 -11.229 -10.339 0.073
279 HB3 PHE 43 1HB PHE 43 -10.695 -10.031 1.724
280 HD1 PHE 43 2HD PHE 43 -13.484 -9.527 -0.657
281 HD2 PHE 43 1HD PHE 43 -12.259 -9.517 3.425
282 HE1 PHE 43 2HE PHE 43 -15.824 -9.279 0.047
283 HE2 PHE 43 1HE PHE 43 -14.594 -9.274 4.126
284 HZ PHE 43 HZ PHE 43 -16.379 -9.144 2.438
285 HA PRO 44 HA PRO 44 -13.088 -7.260 0.449
286 HB2 PRO 44 2HB PRO 44 -14.572 -5.174 1.073
287 HB3 PRO 44 1HB PRO 44 -14.284 -6.481 2.233
288 HG2 PRO 44 2HG PRO 44 -13.135 -3.744 2.137
289 HG3 PRO 44 1HG PRO 44 -13.512 -4.756 3.539
290 HD2 PRO 44 2HD PRO 44 -10.984 -4.407 2.291
291 HD3 PRO 44 1HD PRO 44 -11.388 -5.554 3.580
292 H SER 45 H SER 45 -10.812 -4.734 0.001
293 HA SER 45 HA SER 45 -11.745 -4.212 -2.630
294 HB2 SER 45 2HB SER 45 -13.234 -2.718 -1.323
295 HB3 SER 45 1HB SER 45 -11.821 -1.944 -0.609
296 HG SER 45 HG SER 45 -13.050 -1.437 -2.911
297 H VAL 46 H VAL 46 -10.282 -2.782 -3.718
298 HA VAL 46 HA VAL 46 -7.556 -3.300 -3.266
299 HB VAL 46 HB VAL 46 -8.793 -1.029 -4.856
300 HG11 VAL 46 1HG1 VAL 46 -6.058 -2.269 -5.072
301 HG12 VAL 46 2HG1 VAL 46 -6.436 -0.694 -4.385
302 HG13 VAL 46 3HG1 VAL 46 -6.708 -0.990 -6.106
303 HG21 VAL 46 3HG2 VAL 46 -8.500 -2.496 -6.801
304 HG22 VAL 46 1HG2 VAL 46 -9.628 -3.165 -5.622
305 HG23 VAL 46 2HG2 VAL 46 -7.980 -3.787 -5.725
306 H LYS 47 H LYS 47 -6.315 -2.524 -1.744
307 HA LYS 47 HA LYS 47 -6.947 0.106 -0.617
308 HB2 LYS 47 2HB LYS 47 -7.672 -1.780 0.893
309 HB3 LYS 47 1HB LYS 47 -6.003 -2.315 0.960
310 HG2 LYS 47 2HG LYS 47 -5.349 -0.290 2.103
311 HG3 LYS 47 1HG LYS 47 -6.970 0.378 1.920
312 HD2 LYS 47 2HD LYS 47 -6.640 -0.437 4.169
313 HD3 LYS 47 1HD LYS 47 -7.837 -1.432 3.344
314 HE2 LYS 47 2HE LYS 47 -6.162 -3.159 2.961
315 HE3 LYS 47 1HE LYS 47 -4.921 -2.141 3.692
316 HZ1 LYS 47 3HZ LYS 47 -7.307 -3.231 5.104
317 HZ2 LYS 47 1HZ LYS 47 -6.126 -2.248 5.782
318 HZ3 LYS 47 2HZ LYS 47 -5.731 -3.781 5.264
319 H CYS 48 H CYS 48 -4.955 0.872 0.715
320 HA CYS 48 HA CYS 48 -2.734 1.026 -1.058
321 HB2 CYS 48 2HB CYS 48 -3.555 2.920 0.299
322 HB3 CYS 48 1HB CYS 48 -3.138 2.044 1.760
323 H PHE 49 H PHE 49 -1.113 -0.377 -1.109
324 HA PHE 49 HA PHE 49 -0.429 -1.851 1.321
325 HB2 PHE 49 2HB PHE 49 -0.456 -2.792 -1.544
326 HB3 PHE 49 1HB PHE 49 0.506 -3.571 -0.300
327 HD1 PHE 49 2HD PHE 49 -3.026 -2.442 -0.788
328 HD2 PHE 49 1HD PHE 49 -0.397 -5.430 0.688
329 HE1 PHE 49 2HE PHE 49 -4.948 -3.827 -0.159
330 HE2 PHE 49 1HE PHE 49 -2.312 -6.808 1.309
331 HZ PHE 49 HZ PHE 49 -4.585 -6.012 0.896
332 H CYS 50 H CYS 50 1.452 -1.462 2.027
333 HA CYS 50 HA CYS 50 3.283 0.294 0.737
334 HB2 CYS 50 2HB CYS 50 3.696 -1.419 3.165
335 HB3 CYS 50 1HB CYS 50 4.472 0.109 2.771
336 H LYS 51 H LYS 51 5.165 -0.324 -0.262
337 HA LYS 51 HA LYS 51 5.481 -3.220 -0.639
338 HB2 LYS 51 2HB LYS 51 6.340 -0.963 -2.447
339 HB3 LYS 51 1HB LYS 51 6.672 -2.661 -2.726
340 HG2 LYS 51 2HG LYS 51 4.263 -3.114 -2.834
341 HG3 LYS 51 1HG LYS 51 3.945 -1.396 -2.598
342 HD2 LYS 51 2HD LYS 51 5.175 -0.895 -4.658
343 HD3 LYS 51 1HD LYS 51 5.474 -2.619 -4.892
344 HE2 LYS 51 2HE LYS 51 2.765 -1.320 -4.754
345 HE3 LYS 51 1HE LYS 51 3.584 -1.770 -6.249
346 HZ1 LYS 51 3HZ LYS 51 3.503 -4.103 -5.469
347 HZ2 LYS 51 1HZ LYS 51 1.977 -3.426 -5.626
348 HZ3 LYS 51 2HZ LYS 51 2.638 -3.638 -4.107
349 H ARG 52 H ARG 52 6.913 -3.944 0.749
350 HA ARG 52 HA ARG 52 9.411 -2.387 1.010
351 HB2 ARG 52 2HB ARG 52 10.012 -3.815 2.902
352 HB3 ARG 52 1HB ARG 52 8.490 -2.995 3.186
353 HG2 ARG 52 2HG ARG 52 7.267 -4.962 3.020
354 HG3 ARG 52 1HG ARG 52 8.528 -5.778 2.090
355 HD2 ARG 52 2HD ARG 52 8.809 -4.951 4.973
356 HD3 ARG 52 1HD ARG 52 8.355 -6.575 4.449
357 HE ARG 52 HE ARG 52 10.663 -6.033 3.085
358 HH11 ARG 52 1HH1 ARG 52 9.854 -6.116 6.523
359 HH12 ARG 52 2HH1 ARG 52 11.425 -6.544 7.011
360 HH21 ARG 52 1HH2 ARG 52 12.751 -6.653 3.727
361 HH22 ARG 52 2HH2 ARG 52 13.121 -6.882 5.380
362 H GLN 53 H GLN 53 11.447 -3.542 0.916
363 HA GLN 53 HA GLN 53 11.434 -5.480 -1.170
364 HB2 GLN 53 2HB GLN 53 13.631 -4.312 0.531
365 HB3 GLN 53 1HB GLN 53 13.890 -5.441 -0.786
366 HG2 GLN 53 2HG GLN 53 12.960 -3.848 -2.343
367 HG3 GLN 53 1HG GLN 53 12.656 -2.719 -1.027
368 HE21 GLN 53 1HE2 GLN 53 15.048 -4.194 -3.032
369 HE22 GLN 53 2HE2 GLN 53 16.321 -3.103 -2.625
370 H CYS 54 H CYS 54 11.213 -7.536 -0.817
371 HA CYS 54 HA CYS 54 11.908 -8.524 1.817
372 HB2 CYS 54 2HB CYS 54 10.302 -10.412 1.245
373 HB3 CYS 54 1HB CYS 54 9.607 -8.827 1.583
Start of MODEL 10
1 H1 ASP 1 1HT ASP 1 14.998 -0.775 -9.975
2 H2 ASP 1 2HT ASP 1 16.490 -1.158 -10.626
3 H3 ASP 1 3HT ASP 1 16.352 0.123 -9.545
4 HA ASP 1 HA ASP 1 17.308 -1.847 -8.500
5 HB2 ASP 1 2HB ASP 1 14.571 -0.984 -7.583
6 HB3 ASP 1 1HB ASP 1 15.610 -2.044 -6.643
7 H GLY 2 H GLY 2 17.416 -3.974 -8.503
8 HA2 GLY 2 2HA GLY 2 15.227 -5.448 -9.756
9 HA3 GLY 2 1HA GLY 2 16.869 -6.037 -9.497
10 H VAL 3 H VAL 3 14.046 -4.955 -7.712
11 HA VAL 3 HA VAL 3 14.675 -6.983 -5.700
12 HB VAL 3 HB VAL 3 15.062 -4.666 -4.881
13 HG11 VAL 3 1HG1 VAL 3 12.127 -4.269 -5.336
14 HG12 VAL 3 2HG1 VAL 3 13.455 -3.436 -6.145
15 HG13 VAL 3 3HG1 VAL 3 13.169 -3.182 -4.423
16 HG21 VAL 3 3HG2 VAL 3 12.783 -6.097 -3.524
17 HG22 VAL 3 1HG2 VAL 3 13.777 -4.837 -2.792
18 HG23 VAL 3 2HG2 VAL 3 14.505 -6.373 -3.264
19 H LYS 4 H LYS 4 12.889 -8.108 -4.853
20 HA LYS 4 HA LYS 4 10.465 -7.980 -6.475
21 HB2 LYS 4 2HB LYS 4 11.172 -9.896 -4.243
22 HB3 LYS 4 1HB LYS 4 9.866 -10.058 -5.403
23 HG2 LYS 4 2HG LYS 4 12.811 -10.258 -5.976
24 HG3 LYS 4 1HG LYS 4 11.630 -11.566 -5.937
25 HD2 LYS 4 2HD LYS 4 10.463 -10.568 -7.838
26 HD3 LYS 4 1HD LYS 4 11.646 -9.259 -7.868
27 HE2 LYS 4 2HE LYS 4 12.195 -10.944 -9.528
28 HE3 LYS 4 1HE LYS 4 13.429 -10.864 -8.279
29 HZ1 LYS 4 3HZ LYS 4 12.841 -13.133 -8.880
30 HZ2 LYS 4 1HZ LYS 4 11.256 -12.889 -8.381
31 HZ3 LYS 4 2HZ LYS 4 12.531 -12.849 -7.266
32 H LEU 5 H LEU 5 8.445 -7.575 -5.431
33 HA LEU 5 HA LEU 5 8.843 -6.375 -2.794
34 HB2 LEU 5 2HB LEU 5 6.804 -5.422 -4.817
35 HB3 LEU 5 1HB LEU 5 7.204 -4.769 -3.235
36 HG LEU 5 HG LEU 5 9.146 -4.790 -5.523
37 HD11 LEU 5 1HD1 LEU 5 7.398 -2.541 -4.521
38 HD12 LEU 5 2HD1 LEU 5 7.241 -3.365 -6.073
39 HD13 LEU 5 3HD1 LEU 5 8.671 -2.393 -5.731
40 HD21 LEU 5 3HD2 LEU 5 10.345 -3.150 -4.131
41 HD22 LEU 5 1HD2 LEU 5 10.194 -4.720 -3.343
42 HD23 LEU 5 2HD2 LEU 5 9.151 -3.384 -2.855
43 H CYS 6 H CYS 6 7.499 -6.824 -1.277
44 HA CYS 6 HA CYS 6 5.358 -8.760 -1.833
45 HB2 CYS 6 2HB CYS 6 6.676 -8.119 0.817
46 HB3 CYS 6 1HB CYS 6 5.513 -9.403 0.516
47 H ASP 7 H ASP 7 3.322 -8.181 -1.423
48 HA ASP 7 HA ASP 7 2.808 -5.399 -0.753
49 HB2 ASP 7 2HB ASP 7 0.921 -7.605 -1.657
50 HB3 ASP 7 1HB ASP 7 0.498 -5.911 -1.494
51 H VAL 8 H VAL 8 2.486 -4.911 1.333
52 HA VAL 8 HA VAL 8 1.185 -6.931 3.017
53 HB VAL 8 HB VAL 8 2.363 -6.024 4.982
54 HG11 VAL 8 1HG1 VAL 8 3.401 -7.866 3.817
55 HG12 VAL 8 2HG1 VAL 8 4.638 -6.777 4.457
56 HG13 VAL 8 3HG1 VAL 8 4.228 -6.741 2.741
57 HG21 VAL 8 3HG2 VAL 8 2.655 -3.704 4.269
58 HG22 VAL 8 1HG2 VAL 8 3.802 -4.216 3.031
59 HG23 VAL 8 2HG2 VAL 8 4.205 -4.404 4.737
60 HA PRO 9 HA PRO 9 -2.201 -4.134 3.589
61 HB2 PRO 9 2HB PRO 9 -2.170 -4.915 6.460
62 HB3 PRO 9 1HB PRO 9 -3.484 -5.029 5.285
63 HG2 PRO 9 2HG PRO 9 -2.192 -7.199 6.080
64 HG3 PRO 9 1HG PRO 9 -2.691 -7.009 4.388
65 HD2 PRO 9 2HD PRO 9 0.013 -6.677 5.619
66 HD3 PRO 9 1HD PRO 9 -0.446 -7.406 4.065
67 H SER 10 H SER 10 -2.031 -1.975 3.759
68 HA SER 10 HA SER 10 0.020 -0.811 5.387
69 HB2 SER 10 2HB SER 10 -0.514 0.038 3.108
70 HB3 SER 10 1HB SER 10 -2.099 0.536 3.695
71 HG SER 10 HG SER 10 0.321 1.694 3.933
72 H GLY 11 H GLY 11 -0.251 0.064 7.348
73 HA2 GLY 11 2HA GLY 11 -2.882 0.004 8.535
74 HA3 GLY 11 1HA GLY 11 -1.381 0.434 9.351
75 H THR 12 H THR 12 -0.694 2.297 7.165
76 HA THR 12 HA THR 12 -1.815 4.634 8.291
77 HB THR 12 HB THR 12 -0.724 5.828 6.355
78 HG1 THR 12 1HG THR 12 -0.482 3.283 5.358
79 HG21 THR 12 3HG2 THR 12 1.565 5.425 7.113
80 HG22 THR 12 1HG2 THR 12 1.035 3.976 7.971
81 HG23 THR 12 2HG2 THR 12 0.453 5.576 8.460
82 H TRP 13 H TRP 13 -2.776 2.668 5.593
83 HA TRP 13 HA TRP 13 -4.595 4.805 4.770
84 HB2 TRP 13 2HB TRP 13 -2.885 3.956 3.105
85 HB3 TRP 13 1HB TRP 13 -3.784 2.441 3.115
86 HD1 TRP 13 HD TRP 13 -6.372 2.572 2.147
87 HE1 TRP 13 1HE TRP 13 -7.383 4.174 0.390
88 HE3 TRP 13 3HE TRP 13 -2.792 6.210 2.178
89 HZ2 TRP 13 2HZ TRP 13 -6.728 6.581 -0.830
90 HZ3 TRP 13 3HZ TRP 13 -3.047 8.131 0.686
91 HH2 TRP 13 HH TRP 13 -4.945 8.330 -0.785
92 H SER 14 H SER 14 -6.578 4.482 5.449
93 HA SER 14 HA SER 14 -7.597 1.748 5.614
94 HB2 SER 14 2HB SER 14 -8.543 4.236 7.053
95 HB3 SER 14 1HB SER 14 -9.094 2.583 7.335
96 HG SER 14 HG SER 14 -6.758 2.183 7.837
97 H GLY 15 H GLY 15 -9.737 1.461 4.773
98 HA2 GLY 15 2HA GLY 15 -11.626 2.011 3.565
99 HA3 GLY 15 1HA GLY 15 -11.030 3.660 3.425
100 H HIS 16 H HIS 16 -11.591 3.680 1.256
101 HA HIS 16 HA HIS 16 -10.573 1.753 -0.601
102 HB2 HIS 16 2HB HIS 16 -12.725 2.771 -1.047
103 HB3 HIS 16 1HB HIS 16 -12.031 4.381 -0.979
104 HD1 HIS 16 1HD HIS 16 -12.471 1.452 -3.295
105 HD2 HIS 16 2HD HIS 16 -10.697 5.199 -3.279
106 HE1 HIS 16 1HE HIS 16 -11.899 1.967 -5.700
107 H CYS 17 H CYS 17 -8.772 1.821 -1.719
108 HA CYS 17 HA CYS 17 -6.982 4.103 -1.465
109 HB2 CYS 17 2HB CYS 17 -6.098 1.852 -1.100
110 HB3 CYS 17 1HB CYS 17 -6.543 1.380 -2.741
111 H GLY 18 H GLY 18 -7.667 5.663 -2.802
112 HA2 GLY 18 2HA GLY 18 -8.201 4.886 -5.574
113 HA3 GLY 18 1HA GLY 18 -8.747 6.382 -4.832
114 H SER 19 H SER 19 -6.551 7.316 -3.658
115 HA SER 19 HA SER 19 -4.985 8.099 -5.925
116 HB2 SER 19 2HB SER 19 -4.880 8.994 -3.045
117 HB3 SER 19 1HB SER 19 -4.112 9.804 -4.413
118 HG SER 19 HG SER 19 -6.769 9.290 -4.771
119 H SER 20 H SER 20 -3.757 6.369 -6.432
120 HA SER 20 HA SER 20 -2.449 4.628 -4.703
121 HB2 SER 20 2HB SER 20 -2.971 4.099 -7.045
122 HB3 SER 20 1HB SER 20 -1.799 5.300 -7.583
123 HG SER 20 HG SER 20 -1.477 2.762 -6.671
124 H SER 21 H SER 21 -1.174 7.443 -6.493
125 HA SER 21 HA SER 21 1.483 7.062 -5.596
126 HB2 SER 21 2HB SER 21 0.886 8.320 -7.676
127 HB3 SER 21 1HB SER 21 0.235 9.610 -6.670
128 HG SER 21 HG SER 21 2.866 8.650 -6.807
129 H LYS 22 H LYS 22 -1.250 8.814 -4.375
130 HA LYS 22 HA LYS 22 0.231 10.208 -2.410
131 HB2 LYS 22 2HB LYS 22 -2.720 9.613 -2.562
132 HB3 LYS 22 1HB LYS 22 -1.980 10.592 -1.300
133 HG2 LYS 22 2HG LYS 22 -1.149 12.146 -3.013
134 HG3 LYS 22 1HG LYS 22 -1.950 11.194 -4.257
135 HD2 LYS 22 2HD LYS 22 -3.257 13.173 -3.638
136 HD3 LYS 22 1HD LYS 22 -4.115 11.687 -3.234
137 HE2 LYS 22 2HE LYS 22 -3.515 11.910 -0.913
138 HE3 LYS 22 1HE LYS 22 -2.471 13.285 -1.273
139 HZ1 LYS 22 3HZ LYS 22 -4.352 14.577 -1.832
140 HZ2 LYS 22 1HZ LYS 22 -4.631 13.885 -0.337
141 HZ3 LYS 22 2HZ LYS 22 -5.418 13.265 -1.692
142 H CYS 23 H CYS 23 -1.466 7.079 -2.403
143 HA CYS 23 HA CYS 23 -0.978 6.662 0.318
144 HB2 CYS 23 2HB CYS 23 -2.590 5.230 -0.917
145 HB3 CYS 23 1HB CYS 23 -1.244 4.486 -1.788
146 H SER 24 H SER 24 0.879 6.048 -2.608
147 HA SER 24 HA SER 24 2.972 4.585 -1.516
148 HB2 SER 24 2HB SER 24 3.184 6.621 -3.746
149 HB3 SER 24 1HB SER 24 4.256 5.246 -3.437
150 HG SER 24 HG SER 24 1.888 4.190 -3.626
151 H GLN 25 H GLN 25 2.658 8.093 -1.964
152 HA GLN 25 HA GLN 25 5.074 8.818 -0.776
153 HB2 GLN 25 2HB GLN 25 3.716 10.338 -2.153
154 HB3 GLN 25 1HB GLN 25 2.473 10.357 -0.913
155 HG2 GLN 25 2HG GLN 25 3.781 12.378 -0.802
156 HG3 GLN 25 1HG GLN 25 4.057 11.398 0.638
157 HE21 GLN 25 1HE2 GLN 25 6.016 12.302 1.093
158 HE22 GLN 25 2HE2 GLN 25 7.422 12.053 0.146
159 H GLN 26 H GLN 26 1.817 8.608 0.598
160 HA GLN 26 HA GLN 26 2.285 9.401 3.206
161 HB2 GLN 26 2HB GLN 26 0.069 9.029 2.275
162 HB3 GLN 26 1HB GLN 26 0.384 7.306 2.174
163 HG2 GLN 26 2HG GLN 26 0.600 7.262 4.645
164 HG3 GLN 26 1HG GLN 26 0.108 8.956 4.670
165 HE21 GLN 26 1HE2 GLN 26 -0.895 5.696 4.114
166 HE22 GLN 26 2HE2 GLN 26 -2.591 6.028 4.097
167 H CYS 27 H CYS 27 2.370 6.082 1.907
168 HA CYS 27 HA CYS 27 3.090 4.938 4.397
169 HB2 CYS 27 2HB CYS 27 1.896 3.647 2.664
170 HB3 CYS 27 1HB CYS 27 3.300 3.753 1.611
171 H LYS 28 H LYS 28 4.947 6.100 1.649
172 HA LYS 28 HA LYS 28 7.450 5.015 2.453
173 HB2 LYS 28 2HB LYS 28 6.935 5.759 0.162
174 HB3 LYS 28 1HB LYS 28 6.769 7.403 0.751
175 HG2 LYS 28 2HG LYS 28 9.157 7.380 1.379
176 HG3 LYS 28 1HG LYS 28 9.288 5.762 0.704
177 HD2 LYS 28 2HD LYS 28 10.069 7.418 -0.914
178 HD3 LYS 28 1HD LYS 28 8.626 6.599 -1.504
179 HE2 LYS 28 2HE LYS 28 7.269 8.538 -0.778
180 HE3 LYS 28 1HE LYS 28 8.739 9.342 -0.235
181 HZ1 LYS 28 3HZ LYS 28 8.016 10.089 -2.406
182 HZ2 LYS 28 1HZ LYS 28 8.122 8.530 -3.020
183 HZ3 LYS 28 2HZ LYS 28 9.519 9.338 -2.527
184 H ASP 29 H ASP 29 5.646 7.844 3.223
185 HA ASP 29 HA ASP 29 7.785 9.283 4.496
186 HB2 ASP 29 2HB ASP 29 6.062 10.517 3.384
187 HB3 ASP 29 1HB ASP 29 4.815 9.727 4.332
188 H ARG 30 H ARG 30 4.860 7.646 5.636
189 HA ARG 30 HA ARG 30 5.605 8.160 8.398
190 HB2 ARG 30 2HB ARG 30 3.226 6.702 7.271
191 HB3 ARG 30 1HB ARG 30 3.452 7.128 8.962
192 HG2 ARG 30 2HG ARG 30 3.433 9.499 8.360
193 HG3 ARG 30 1HG ARG 30 3.216 9.059 6.666
194 HD2 ARG 30 2HD ARG 30 1.080 7.969 7.252
195 HD3 ARG 30 1HD ARG 30 1.298 8.482 8.925
196 HE ARG 30 HE ARG 30 1.349 10.497 6.859
197 HH11 ARG 30 1HH1 ARG 30 -0.563 8.916 9.410
198 HH12 ARG 30 2HH1 ARG 30 -1.611 10.219 9.654
199 HH21 ARG 30 1HH2 ARG 30 -0.132 12.337 7.206
200 HH22 ARG 30 2HH2 ARG 30 -1.359 12.210 8.369
201 H GLU 31 H GLU 31 5.520 5.393 6.226
202 HA GLU 31 HA GLU 31 6.179 3.601 8.442
203 HB2 GLU 31 2HB GLU 31 5.222 3.119 5.627
204 HB3 GLU 31 1HB GLU 31 5.684 1.839 6.733
205 HG2 GLU 31 2HG GLU 31 3.503 3.815 7.312
206 HG3 GLU 31 1HG GLU 31 3.228 2.279 6.495
207 H HIS 32 H HIS 32 7.536 1.660 7.224
208 HA HIS 32 HA HIS 32 9.942 2.991 6.220
209 HB2 HIS 32 2HB HIS 32 9.627 0.445 7.815
210 HB3 HIS 32 1HB HIS 32 11.128 0.890 7.019
211 HD1 HIS 32 1HD HIS 32 12.696 2.309 8.388
212 HD2 HIS 32 2HD HIS 32 8.786 2.421 9.784
213 HE1 HIS 32 1HE HIS 32 12.770 3.593 10.540
214 H PHE 33 H PHE 33 8.324 2.757 4.289
215 HA PHE 33 HA PHE 33 9.262 0.428 2.816
216 HB2 PHE 33 2HB PHE 33 6.433 1.531 2.675
217 HB3 PHE 33 1HB PHE 33 7.072 0.221 1.694
218 HD1 PHE 33 2HD PHE 33 7.870 -1.882 2.948
219 HD2 PHE 33 1HD PHE 33 5.402 1.084 4.694
220 HE1 PHE 33 2HE PHE 33 7.147 -3.497 4.686
221 HE2 PHE 33 1HE PHE 33 4.687 -0.510 6.428
222 HZ PHE 33 HZ PHE 33 5.556 -2.805 6.414
223 H ALA 34 H ALA 34 10.643 1.351 1.521
224 HA ALA 34 HA ALA 34 10.684 4.026 0.730
225 HB1 ALA 34 1HB ALA 34 12.665 2.589 0.769
226 HB2 ALA 34 2HB ALA 34 12.473 3.399 -0.786
227 HB3 ALA 34 3HB ALA 34 12.039 1.699 -0.618
228 H TYR 35 H TYR 35 9.143 1.293 -0.774
229 HA TYR 35 HA TYR 35 8.628 2.851 -3.188
230 HB2 TYR 35 2HB TYR 35 7.905 -0.005 -2.506
231 HB3 TYR 35 1HB TYR 35 7.481 0.782 -4.024
232 HD1 TYR 35 1HD TYR 35 9.219 1.396 -5.625
233 HD2 TYR 35 2HD TYR 35 10.138 -0.712 -2.072
234 HE1 TYR 35 1HE TYR 35 11.426 0.853 -6.535
235 HE2 TYR 35 2HE TYR 35 12.344 -1.265 -2.945
236 HH TYR 35 HH TYR 35 13.473 -1.450 -5.128
237 H GLY 36 H GLY 36 7.301 2.675 -0.242
238 HA2 GLY 36 2HA GLY 36 5.339 3.424 0.600
239 HA3 GLY 36 1HA GLY 36 4.911 3.949 -1.027
240 H GLY 37 H GLY 37 3.131 3.001 -1.791
241 HA2 GLY 37 2HA GLY 37 2.755 0.215 -1.528
242 HA3 GLY 37 1HA GLY 37 1.618 1.187 -0.574
243 H ALA 38 H ALA 38 0.558 -0.337 -2.417
244 HA ALA 38 HA ALA 38 -0.323 1.584 -4.418
245 HB1 ALA 38 1HB ALA 38 -0.254 -0.138 -6.174
246 HB2 ALA 38 2HB ALA 38 0.499 -1.259 -5.036
247 HB3 ALA 38 3HB ALA 38 1.356 0.200 -5.534
248 H CYS 39 H CYS 39 -2.372 0.639 -5.489
249 HA CYS 39 HA CYS 39 -4.049 -0.182 -3.278
250 HB2 CYS 39 2HB CYS 39 -4.833 0.568 -6.088
251 HB3 CYS 39 1HB CYS 39 -5.879 0.507 -4.681
252 H HIS 40 H HIS 40 -4.907 -2.159 -3.105
253 HA HIS 40 HA HIS 40 -4.964 -3.983 -5.364
254 HB2 HIS 40 2HB HIS 40 -2.780 -4.405 -4.329
255 HB3 HIS 40 1HB HIS 40 -3.517 -4.499 -2.742
256 HD1 HIS 40 1HD HIS 40 -4.225 -6.790 -1.976
257 HD2 HIS 40 2HD HIS 40 -3.411 -6.635 -6.040
258 HE1 HIS 40 1HE HIS 40 -4.266 -9.182 -2.785
259 H TYR 41 H TYR 41 -6.750 -5.266 -5.242
260 HA TYR 41 HA TYR 41 -8.663 -4.597 -3.210
261 HB2 TYR 41 2HB TYR 41 -9.394 -4.936 -5.553
262 HB3 TYR 41 1HB TYR 41 -8.924 -6.631 -5.440
263 HD1 TYR 41 1HD TYR 41 -11.341 -4.106 -4.325
264 HD2 TYR 41 2HD TYR 41 -10.300 -8.225 -4.198
265 HE1 TYR 41 1HE TYR 41 -13.529 -4.619 -3.376
266 HE2 TYR 41 2HE TYR 41 -12.494 -8.759 -3.250
267 HH TYR 41 HH TYR 41 -15.056 -6.641 -3.271
268 H GLN 42 H GLN 42 -9.180 -5.606 -1.499
269 HA GLN 42 HA GLN 42 -8.703 -8.434 -1.203
270 HB2 GLN 42 2HB GLN 42 -6.787 -7.357 -0.062
271 HB3 GLN 42 1HB GLN 42 -7.900 -6.333 0.841
272 HG2 GLN 42 2HG GLN 42 -8.861 -8.273 1.894
273 HG3 GLN 42 1HG GLN 42 -7.789 -9.336 1.007
274 HE21 GLN 42 1HE2 GLN 42 -5.527 -9.276 1.597
275 HE22 GLN 42 2HE2 GLN 42 -5.057 -8.678 3.144
276 H PHE 43 H PHE 43 -10.447 -9.301 -0.031
277 HA PHE 43 HA PHE 43 -12.744 -7.865 -0.193
278 HB2 PHE 43 2HB PHE 43 -12.771 -10.307 -0.054
279 HB3 PHE 43 1HB PHE 43 -12.215 -10.244 1.613
280 HD1 PHE 43 2HD PHE 43 -15.031 -9.315 -0.604
281 HD2 PHE 43 1HD PHE 43 -13.755 -10.095 3.379
282 HE1 PHE 43 2HE PHE 43 -17.359 -9.215 0.155
283 HE2 PHE 43 1HE PHE 43 -16.092 -9.998 4.147
284 HZ PHE 43 HZ PHE 43 -17.895 -9.556 2.539
285 HA PRO 44 HA PRO 44 -14.389 -7.024 0.251
286 HB2 PRO 44 2HB PRO 44 -16.116 -5.344 1.247
287 HB3 PRO 44 1HB PRO 44 -15.855 -6.908 2.032
288 HG2 PRO 44 2HG PRO 44 -15.035 -4.197 2.928
289 HG3 PRO 44 1HG PRO 44 -15.355 -5.646 3.893
290 HD2 PRO 44 2HD PRO 44 -12.808 -4.641 2.924
291 HD3 PRO 44 1HD PRO 44 -13.105 -6.023 3.998
292 H SER 45 H SER 45 -11.941 -4.938 0.344
293 HA SER 45 HA SER 45 -13.190 -3.001 -1.422
294 HB2 SER 45 2HB SER 45 -12.324 -1.073 -0.011
295 HB3 SER 45 1HB SER 45 -13.729 -1.935 0.617
296 HG SER 45 HG SER 45 -11.539 -3.158 1.477
297 H VAL 46 H VAL 46 -11.659 -1.522 -2.447
298 HA VAL 46 HA VAL 46 -9.125 -2.719 -3.010
299 HB VAL 46 HB VAL 46 -10.143 0.065 -3.698
300 HG11 VAL 46 1HG1 VAL 46 -7.716 -0.109 -3.754
301 HG12 VAL 46 2HG1 VAL 46 -8.369 0.097 -5.384
302 HG13 VAL 46 3HG1 VAL 46 -7.820 -1.494 -4.839
303 HG21 VAL 46 3HG2 VAL 46 -11.529 -1.707 -4.667
304 HG22 VAL 46 1HG2 VAL 46 -10.084 -2.450 -5.357
305 HG23 VAL 46 2HG2 VAL 46 -10.610 -0.859 -5.915
306 H LYS 47 H LYS 47 -7.643 -2.734 -1.474
307 HA LYS 47 HA LYS 47 -7.561 -0.482 0.384
308 HB2 LYS 47 2HB LYS 47 -8.087 -2.839 1.205
309 HB3 LYS 47 1HB LYS 47 -6.461 -3.277 0.740
310 HG2 LYS 47 2HG LYS 47 -6.640 -2.891 3.142
311 HG3 LYS 47 1HG LYS 47 -5.541 -1.741 2.386
312 HD2 LYS 47 2HD LYS 47 -7.057 -0.712 4.074
313 HD3 LYS 47 1HD LYS 47 -7.209 0.001 2.473
314 HE2 LYS 47 2HE LYS 47 -9.397 -0.318 3.506
315 HE3 LYS 47 1HE LYS 47 -9.238 -1.314 2.073
316 HZ1 LYS 47 3HZ LYS 47 -8.809 -3.229 3.507
317 HZ2 LYS 47 1HZ LYS 47 -10.273 -2.517 3.880
318 HZ3 LYS 47 2HZ LYS 47 -8.980 -2.269 4.884
319 H CYS 48 H CYS 48 -5.250 -0.035 1.175
320 HA CYS 48 HA CYS 48 -3.511 -0.207 -1.147
321 HB2 CYS 48 2HB CYS 48 -3.963 2.059 -0.234
322 HB3 CYS 48 1HB CYS 48 -3.251 1.552 1.293
323 H PHE 49 H PHE 49 -1.752 -1.331 -1.101
324 HA PHE 49 HA PHE 49 -0.953 -2.590 1.411
325 HB2 PHE 49 2HB PHE 49 -0.996 -3.690 -1.404
326 HB3 PHE 49 1HB PHE 49 -0.048 -4.415 -0.113
327 HD1 PHE 49 1HD PHE 49 -3.550 -3.449 -0.977
328 HD2 PHE 49 2HD PHE 49 -0.995 -6.024 1.236
329 HE1 PHE 49 1HE PHE 49 -5.492 -4.794 -0.307
330 HE2 PHE 49 2HE PHE 49 -2.926 -7.363 1.923
331 HZ PHE 49 HZ PHE 49 -5.175 -6.758 1.162
332 H CYS 50 H CYS 50 1.020 -2.145 2.006
333 HA CYS 50 HA CYS 50 2.617 -0.448 0.341
334 HB2 CYS 50 2HB CYS 50 3.054 -1.491 3.146
335 HB3 CYS 50 1HB CYS 50 4.180 -0.422 2.313
336 H LYS 51 H LYS 51 4.456 -0.969 -0.649
337 HA LYS 51 HA LYS 51 4.785 -3.852 -1.049
338 HB2 LYS 51 2HB LYS 51 5.766 -1.586 -2.786
339 HB3 LYS 51 1HB LYS 51 5.701 -3.285 -3.216
340 HG2 LYS 51 2HG LYS 51 3.225 -3.203 -3.098
341 HG3 LYS 51 1HG LYS 51 3.318 -1.485 -2.724
342 HD2 LYS 51 2HD LYS 51 2.898 -1.516 -5.018
343 HD3 LYS 51 1HD LYS 51 4.645 -1.306 -4.927
344 HE2 LYS 51 2HE LYS 51 4.279 -2.950 -6.595
345 HE3 LYS 51 1HE LYS 51 4.818 -3.825 -5.168
346 HZ1 LYS 51 3HZ LYS 51 2.958 -4.932 -6.188
347 HZ2 LYS 51 1HZ LYS 51 2.007 -3.560 -6.095
348 HZ3 LYS 51 2HZ LYS 51 2.440 -4.379 -4.697
349 H ARG 52 H ARG 52 6.288 -4.605 0.240
350 HA ARG 52 HA ARG 52 8.568 -2.913 0.897
351 HB2 ARG 52 2HB ARG 52 9.148 -4.525 2.620
352 HB3 ARG 52 1HB ARG 52 7.481 -3.994 2.773
353 HG2 ARG 52 2HG ARG 52 6.628 -6.038 2.139
354 HG3 ARG 52 1HG ARG 52 8.118 -6.513 1.316
355 HD2 ARG 52 2HD ARG 52 7.832 -6.167 4.296
356 HD3 ARG 52 1HD ARG 52 7.786 -7.718 3.452
357 HE ARG 52 HE ARG 52 10.114 -6.406 2.675
358 HH11 ARG 52 1HH1 ARG 52 8.829 -7.796 5.677
359 HH12 ARG 52 2HH1 ARG 52 10.373 -8.223 6.254
360 HH21 ARG 52 1HH2 ARG 52 12.188 -6.953 3.513
361 HH22 ARG 52 2HH2 ARG 52 12.318 -7.744 5.015
362 H GLN 53 H GLN 53 10.680 -3.639 0.798
363 HA GLN 53 HA GLN 53 11.400 -5.022 -1.552
364 HB2 GLN 53 2HB GLN 53 13.003 -4.156 0.854
365 HB3 GLN 53 1HB GLN 53 13.684 -4.694 -0.672
366 HG2 GLN 53 2HG GLN 53 12.718 -2.828 -1.809
367 HG3 GLN 53 1HG GLN 53 11.894 -2.298 -0.346
368 HE21 GLN 53 1HE2 GLN 53 12.860 -0.334 -0.281
369 HE22 GLN 53 2HE2 GLN 53 14.523 -0.082 0.071
370 H CYS 54 H CYS 54 11.553 -7.165 -1.787
371 HA CYS 54 HA CYS 54 12.249 -8.755 0.553
372 HB2 CYS 54 2HB CYS 54 10.348 -9.490 -1.685
373 HB3 CYS 54 1HB CYS 54 10.879 -10.591 -0.414
Start of MODEL 11
1 H1 ASP 1 1HT ASP 1 16.571 -1.779 -10.232
2 H2 ASP 1 2HT ASP 1 16.911 -3.150 -9.358
3 H3 ASP 1 3HT ASP 1 15.308 -2.738 -9.688
4 HA ASP 1 HA ASP 1 15.700 -3.023 -12.059
5 HB2 ASP 1 2HB ASP 1 17.762 -4.080 -12.840
6 HB3 ASP 1 1HB ASP 1 18.107 -2.552 -12.043
7 H GLY 2 H GLY 2 16.169 -4.971 -9.188
8 HA2 GLY 2 2HA GLY 2 14.492 -6.972 -10.357
9 HA3 GLY 2 1HA GLY 2 16.156 -7.481 -10.127
10 H VAL 3 H VAL 3 14.819 -5.213 -7.879
11 HA VAL 3 HA VAL 3 15.138 -7.231 -5.862
12 HB VAL 3 HB VAL 3 15.972 -4.943 -5.391
13 HG11 VAL 3 1HG1 VAL 3 13.097 -4.082 -5.509
14 HG12 VAL 3 2HG1 VAL 3 14.413 -3.579 -6.576
15 HG13 VAL 3 3HG1 VAL 3 14.425 -3.108 -4.880
16 HG21 VAL 3 3HG2 VAL 3 15.017 -4.657 -3.160
17 HG22 VAL 3 1HG2 VAL 3 15.389 -6.343 -3.516
18 HG23 VAL 3 2HG2 VAL 3 13.720 -5.778 -3.583
19 H LYS 4 H LYS 4 13.588 -8.308 -4.892
20 HA LYS 4 HA LYS 4 10.992 -8.168 -6.115
21 HB2 LYS 4 2HB LYS 4 12.169 -10.081 -4.107
22 HB3 LYS 4 1HB LYS 4 10.502 -10.166 -4.633
23 HG2 LYS 4 2HG LYS 4 11.724 -11.808 -5.855
24 HG3 LYS 4 1HG LYS 4 11.359 -10.503 -6.977
25 HD2 LYS 4 2HD LYS 4 13.637 -9.628 -6.668
26 HD3 LYS 4 1HD LYS 4 13.988 -10.955 -5.563
27 HE2 LYS 4 2HE LYS 4 14.875 -11.411 -7.781
28 HE3 LYS 4 1HE LYS 4 13.600 -12.560 -7.379
29 HZ1 LYS 4 3HZ LYS 4 12.084 -11.331 -8.758
30 HZ2 LYS 4 1HZ LYS 4 13.455 -11.708 -9.653
31 HZ3 LYS 4 2HZ LYS 4 13.246 -10.144 -9.069
32 H LEU 5 H LEU 5 9.321 -7.173 -5.329
33 HA LEU 5 HA LEU 5 9.440 -6.319 -2.536
34 HB2 LEU 5 2HB LEU 5 7.893 -4.989 -4.761
35 HB3 LEU 5 1HB LEU 5 8.148 -4.445 -3.103
36 HG LEU 5 HG LEU 5 10.338 -4.715 -5.127
37 HD11 LEU 5 1HD1 LEU 5 8.858 -2.248 -4.226
38 HD12 LEU 5 2HD1 LEU 5 8.790 -2.978 -5.828
39 HD13 LEU 5 3HD1 LEU 5 10.293 -2.258 -5.249
40 HD21 LEU 5 3HD2 LEU 5 11.614 -3.340 -3.521
41 HD22 LEU 5 1HD2 LEU 5 11.133 -4.904 -2.866
42 HD23 LEU 5 2HD2 LEU 5 10.260 -3.445 -2.396
43 H CYS 6 H CYS 6 7.806 -6.730 -1.311
44 HA CYS 6 HA CYS 6 5.684 -8.466 -2.405
45 HB2 CYS 6 2HB CYS 6 6.591 -8.223 0.465
46 HB3 CYS 6 1HB CYS 6 5.494 -9.423 -0.197
47 H ASP 7 H ASP 7 3.524 -8.132 -1.685
48 HA ASP 7 HA ASP 7 2.952 -5.341 -1.106
49 HB2 ASP 7 2HB ASP 7 1.233 -7.643 -2.024
50 HB3 ASP 7 1HB ASP 7 0.553 -6.101 -1.536
51 H VAL 8 H VAL 8 2.564 -4.719 0.860
52 HA VAL 8 HA VAL 8 1.350 -6.654 2.670
53 HB VAL 8 HB VAL 8 2.521 -5.555 4.601
54 HG11 VAL 8 1HG1 VAL 8 3.351 -7.637 3.720
55 HG12 VAL 8 2HG1 VAL 8 4.714 -6.611 4.182
56 HG13 VAL 8 3HG1 VAL 8 4.265 -6.779 2.483
57 HG21 VAL 8 3HG2 VAL 8 4.529 -4.200 4.150
58 HG22 VAL 8 1HG2 VAL 8 3.062 -3.402 3.578
59 HG23 VAL 8 2HG2 VAL 8 4.135 -4.203 2.430
60 HA PRO 9 HA PRO 9 -1.899 -3.682 3.002
61 HB2 PRO 9 2HB PRO 9 -2.461 -4.771 5.676
62 HB3 PRO 9 1HB PRO 9 -3.480 -4.774 4.236
63 HG2 PRO 9 2HG PRO 9 -2.328 -7.017 5.185
64 HG3 PRO 9 1HG PRO 9 -2.605 -6.750 3.456
65 HD2 PRO 9 2HD PRO 9 -0.081 -6.532 5.032
66 HD3 PRO 9 1HD PRO 9 -0.360 -7.136 3.382
67 H SER 10 H SER 10 -1.678 -1.620 3.548
68 HA SER 10 HA SER 10 0.117 -0.739 5.533
69 HB2 SER 10 2HB SER 10 -0.941 1.500 4.997
70 HB3 SER 10 1HB SER 10 -0.242 0.646 3.617
71 HG SER 10 HG SER 10 -2.183 0.169 2.898
72 H GLY 11 H GLY 11 -0.271 0.016 7.580
73 HA2 GLY 11 2HA GLY 11 -2.840 -0.723 8.733
74 HA3 GLY 11 1HA GLY 11 -1.380 -0.294 9.621
75 H THR 12 H THR 12 -0.835 2.061 8.149
76 HA THR 12 HA THR 12 -2.515 3.810 9.598
77 HB THR 12 HB THR 12 -1.022 5.532 8.234
78 HG1 THR 12 1HG THR 12 0.691 3.316 8.397
79 HG21 THR 12 3HG2 THR 12 -0.996 5.232 10.658
80 HG22 THR 12 1HG2 THR 12 0.643 5.317 10.017
81 HG23 THR 12 2HG2 THR 12 -0.043 3.756 10.474
82 H TRP 13 H TRP 13 -2.563 2.714 6.308
83 HA TRP 13 HA TRP 13 -4.292 4.915 5.537
84 HB2 TRP 13 2HB TRP 13 -2.753 3.938 3.809
85 HB3 TRP 13 1HB TRP 13 -3.589 2.399 3.967
86 HD1 TRP 13 HD TRP 13 -6.330 2.519 3.231
87 HE1 TRP 13 1HE TRP 13 -7.417 3.846 1.272
88 HE3 TRP 13 3HE TRP 13 -2.582 5.864 2.298
89 HZ2 TRP 13 2HZ TRP 13 -6.744 5.971 -0.429
90 HZ3 TRP 13 3HZ TRP 13 -2.877 7.489 0.485
91 HH2 TRP 13 HH TRP 13 -4.913 7.537 -0.849
92 H SER 14 H SER 14 -6.414 4.829 5.817
93 HA SER 14 HA SER 14 -7.595 2.209 6.289
94 HB2 SER 14 2HB SER 14 -7.199 3.512 8.432
95 HB3 SER 14 1HB SER 14 -8.310 4.730 7.820
96 HG SER 14 HG SER 14 -8.796 2.043 8.484
97 H GLY 15 H GLY 15 -9.573 1.947 5.356
98 HA2 GLY 15 2HA GLY 15 -11.589 2.813 4.404
99 HA3 GLY 15 1HA GLY 15 -10.685 4.241 3.915
100 H HIS 16 H HIS 16 -11.276 4.058 1.837
101 HA HIS 16 HA HIS 16 -10.587 1.688 0.289
102 HB2 HIS 16 2HB HIS 16 -12.771 2.600 -0.125
103 HB3 HIS 16 1HB HIS 16 -12.139 4.228 -0.252
104 HD1 HIS 16 1HD HIS 16 -12.403 1.004 -2.228
105 HD2 HIS 16 2HD HIS 16 -11.366 4.993 -2.734
106 HE1 HIS 16 1HE HIS 16 -12.197 1.384 -4.737
107 H CYS 17 H CYS 17 -8.963 1.738 -1.296
108 HA CYS 17 HA CYS 17 -7.164 4.034 -1.172
109 HB2 CYS 17 2HB CYS 17 -6.298 1.645 -0.969
110 HB3 CYS 17 1HB CYS 17 -6.749 1.426 -2.652
111 H GLY 18 H GLY 18 -7.989 5.600 -2.455
112 HA2 GLY 18 2HA GLY 18 -8.617 4.821 -5.226
113 HA3 GLY 18 1HA GLY 18 -9.454 6.110 -4.365
114 H SER 19 H SER 19 -6.091 5.682 -3.896
115 HA SER 19 HA SER 19 -5.391 7.619 -5.878
116 HB2 SER 19 2HB SER 19 -6.065 9.013 -3.937
117 HB3 SER 19 1HB SER 19 -4.885 8.158 -2.941
118 HG SER 19 HG SER 19 -4.561 10.202 -4.653
119 H SER 20 H SER 20 -3.906 6.514 -6.815
120 HA SER 20 HA SER 20 -2.386 4.501 -5.544
121 HB2 SER 20 2HB SER 20 -1.986 5.822 -8.213
122 HB3 SER 20 1HB SER 20 -1.440 4.212 -7.726
123 HG SER 20 HG SER 20 -3.482 3.506 -7.661
124 H SER 21 H SER 21 -1.898 7.895 -6.289
125 HA SER 21 HA SER 21 0.940 7.836 -5.953
126 HB2 SER 21 2HB SER 21 0.566 10.346 -6.135
127 HB3 SER 21 1HB SER 21 0.030 9.369 -7.504
128 HG SER 21 HG SER 21 -1.384 11.030 -6.092
129 H LYS 22 H LYS 22 -1.884 8.892 -4.067
130 HA LYS 22 HA LYS 22 -0.266 9.839 -1.936
131 HB2 LYS 22 2HB LYS 22 -3.228 9.324 -2.097
132 HB3 LYS 22 1HB LYS 22 -2.440 9.936 -0.650
133 HG2 LYS 22 2HG LYS 22 -2.381 11.292 -3.340
134 HG3 LYS 22 1HG LYS 22 -3.478 11.715 -2.027
135 HD2 LYS 22 2HD LYS 22 -1.497 12.186 -0.595
136 HD3 LYS 22 1HD LYS 22 -0.457 11.861 -1.971
137 HE2 LYS 22 2HE LYS 22 -0.808 14.261 -1.643
138 HE3 LYS 22 1HE LYS 22 -1.428 13.721 -3.196
139 HZ1 LYS 22 3HZ LYS 22 -3.653 13.741 -2.291
140 HZ2 LYS 22 1HZ LYS 22 -2.943 15.241 -2.085
141 HZ3 LYS 22 2HZ LYS 22 -3.103 14.193 -0.770
142 H CYS 23 H CYS 23 -1.686 6.805 -2.750
143 HA CYS 23 HA CYS 23 -1.372 5.507 -0.304
144 HB2 CYS 23 2HB CYS 23 -2.538 4.412 -2.134
145 HB3 CYS 23 1HB CYS 23 -1.106 4.473 -3.143
146 H SER 24 H SER 24 0.960 5.861 -3.030
147 HA SER 24 HA SER 24 3.126 4.589 -1.828
148 HB2 SER 24 2HB SER 24 3.230 6.956 -3.715
149 HB3 SER 24 1HB SER 24 4.475 5.731 -3.475
150 HG SER 24 HG SER 24 2.369 4.358 -4.132
151 H GLN 25 H GLN 25 2.260 8.028 -1.922
152 HA GLN 25 HA GLN 25 4.448 9.025 -0.528
153 HB2 GLN 25 2HB GLN 25 2.927 10.381 -1.908
154 HB3 GLN 25 1HB GLN 25 1.663 10.170 -0.708
155 HG2 GLN 25 2HG GLN 25 3.064 11.346 0.938
156 HG3 GLN 25 1HG GLN 25 4.274 11.602 -0.318
157 HE21 GLN 25 1HE2 GLN 25 2.790 13.523 1.214
158 HE22 GLN 25 2HE2 GLN 25 1.918 14.511 0.109
159 H GLN 26 H GLN 26 1.139 8.361 0.726
160 HA GLN 26 HA GLN 26 1.749 9.142 3.361
161 HB2 GLN 26 2HB GLN 26 -0.565 8.994 2.425
162 HB3 GLN 26 1HB GLN 26 -0.436 7.244 2.470
163 HG2 GLN 26 2HG GLN 26 -0.258 7.277 4.880
164 HG3 GLN 26 1HG GLN 26 -0.254 9.038 4.885
165 HE21 GLN 26 1HE2 GLN 26 -2.181 6.192 4.610
166 HE22 GLN 26 2HE2 GLN 26 -3.709 6.994 4.640
167 H CYS 27 H CYS 27 1.867 6.073 1.717
168 HA CYS 27 HA CYS 27 2.334 4.325 3.802
169 HB2 CYS 27 2HB CYS 27 1.933 3.566 1.554
170 HB3 CYS 27 1HB CYS 27 3.354 4.401 0.963
171 H LYS 28 H LYS 28 4.787 5.921 1.756
172 HA LYS 28 HA LYS 28 7.053 5.039 3.177
173 HB2 LYS 28 2HB LYS 28 6.777 7.512 1.492
174 HB3 LYS 28 1HB LYS 28 8.283 6.723 1.935
175 HG2 LYS 28 2HG LYS 28 7.568 4.743 0.637
176 HG3 LYS 28 1HG LYS 28 6.123 5.637 0.157
177 HD2 LYS 28 2HD LYS 28 8.976 6.428 -0.451
178 HD3 LYS 28 1HD LYS 28 7.826 5.715 -1.583
179 HE2 LYS 28 2HE LYS 28 6.390 7.659 -1.380
180 HE3 LYS 28 1HE LYS 28 7.482 8.373 -0.199
181 HZ1 LYS 28 3HZ LYS 28 7.852 9.306 -2.374
182 HZ2 LYS 28 1HZ LYS 28 8.152 7.780 -3.029
183 HZ3 LYS 28 2HZ LYS 28 9.207 8.429 -1.892
184 H ASP 29 H ASP 29 5.354 8.135 3.156
185 HA ASP 29 HA ASP 29 6.974 9.507 4.932
186 HB2 ASP 29 2HB ASP 29 5.431 10.699 3.559
187 HB3 ASP 29 1HB ASP 29 4.062 9.842 4.254
188 H ARG 30 H ARG 30 4.054 7.598 5.597
189 HA ARG 30 HA ARG 30 4.113 8.316 8.332
190 HB2 ARG 30 2HB ARG 30 2.546 6.168 6.934
191 HB3 ARG 30 1HB ARG 30 2.444 6.451 8.662
192 HG2 ARG 30 2HG ARG 30 1.723 8.404 6.483
193 HG3 ARG 30 1HG ARG 30 0.597 7.506 7.498
194 HD2 ARG 30 2HD ARG 30 1.566 8.659 9.486
195 HD3 ARG 30 1HD ARG 30 2.555 9.624 8.392
196 HE ARG 30 HE ARG 30 -0.280 9.695 7.875
197 HH11 ARG 30 1HH1 ARG 30 2.474 11.348 9.413
198 HH12 ARG 30 2HH1 ARG 30 1.627 12.781 9.689
199 HH21 ARG 30 1HH2 ARG 30 -1.423 11.665 8.259
200 HH22 ARG 30 2HH2 ARG 30 -0.643 12.964 9.062
201 H GLU 31 H GLU 31 4.772 5.050 6.883
202 HA GLU 31 HA GLU 31 6.813 4.609 8.840
203 HB2 GLU 31 2HB GLU 31 5.599 3.027 10.342
204 HB3 GLU 31 1HB GLU 31 5.115 4.710 10.477
205 HG2 GLU 31 2HG GLU 31 3.142 4.229 9.093
206 HG3 GLU 31 1HG GLU 31 3.610 2.529 9.069
207 H HIS 32 H HIS 32 6.023 3.819 5.997
208 HA HIS 32 HA HIS 32 6.263 0.974 6.519
209 HB2 HIS 32 2HB HIS 32 5.199 2.262 4.027
210 HB3 HIS 32 1HB HIS 32 5.403 0.533 4.268
211 HD1 HIS 32 1HD HIS 32 3.320 3.439 5.382
212 HD2 HIS 32 2HD HIS 32 3.422 -0.689 5.689
213 HE1 HIS 32 1HE HIS 32 1.087 2.774 6.339
214 H PHE 33 H PHE 33 6.918 1.854 3.291
215 HA PHE 33 HA PHE 33 9.749 1.353 3.769
216 HB2 PHE 33 2HB PHE 33 8.030 -0.119 1.753
217 HB3 PHE 33 1HB PHE 33 9.757 -0.342 2.004
218 HD1 PHE 33 1HD PHE 33 10.568 -1.423 4.071
219 HD2 PHE 33 2HD PHE 33 6.417 -1.138 3.189
220 HE1 PHE 33 1HE PHE 33 10.086 -3.125 5.782
221 HE2 PHE 33 2HE PHE 33 5.932 -2.839 4.901
222 HZ PHE 33 HZ PHE 33 7.768 -3.832 6.199
223 H ALA 34 H ALA 34 11.052 1.956 2.046
224 HA ALA 34 HA ALA 34 10.453 4.466 0.921
225 HB1 ALA 34 1HB ALA 34 12.681 2.529 0.384
226 HB2 ALA 34 2HB ALA 34 12.699 3.853 1.554
227 HB3 ALA 34 3HB ALA 34 12.643 4.192 -0.179
228 H TYR 35 H TYR 35 9.764 1.344 -0.159
229 HA TYR 35 HA TYR 35 9.875 1.983 -2.968
230 HB2 TYR 35 2HB TYR 35 8.928 -0.529 -1.566
231 HB3 TYR 35 1HB TYR 35 9.134 -0.341 -3.308
232 HD1 TYR 35 1HD TYR 35 11.382 -0.093 -4.265
233 HD2 TYR 35 2HD TYR 35 10.830 -0.878 -0.130
234 HE1 TYR 35 1HE TYR 35 13.754 -0.677 -4.066
235 HE2 TYR 35 2HE TYR 35 13.193 -1.448 0.090
236 HH TYR 35 HH TYR 35 15.069 -2.114 -1.215
237 H GLY 36 H GLY 36 7.767 2.646 -0.544
238 HA2 GLY 36 2HA GLY 36 5.767 3.740 -0.666
239 HA3 GLY 36 1HA GLY 36 5.844 3.606 -2.415
240 H GLY 37 H GLY 37 3.766 3.008 -2.738
241 HA2 GLY 37 2HA GLY 37 3.101 0.319 -2.331
242 HA3 GLY 37 1HA GLY 37 2.222 1.376 -1.218
243 H ALA 38 H ALA 38 0.764 0.018 -2.954
244 HA ALA 38 HA ALA 38 -0.254 2.110 -4.667
245 HB1 ALA 38 1HB ALA 38 0.497 -0.608 -5.740
246 HB2 ALA 38 2HB ALA 38 1.303 0.914 -6.126
247 HB3 ALA 38 3HB ALA 38 -0.366 0.647 -6.632
248 H CYS 39 H CYS 39 -2.397 1.359 -5.587
249 HA CYS 39 HA CYS 39 -3.874 0.228 -3.408
250 HB2 CYS 39 2HB CYS 39 -4.799 1.183 -6.132
251 HB3 CYS 39 1HB CYS 39 -5.851 0.757 -4.795
252 H HIS 40 H HIS 40 -4.245 -1.860 -3.187
253 HA HIS 40 HA HIS 40 -4.372 -3.576 -5.567
254 HB2 HIS 40 2HB HIS 40 -2.161 -3.794 -4.390
255 HB3 HIS 40 1HB HIS 40 -3.015 -4.218 -2.922
256 HD1 HIS 40 1HD HIS 40 -3.401 -6.718 -2.554
257 HD2 HIS 40 2HD HIS 40 -2.374 -5.762 -6.474
258 HE1 HIS 40 1HE HIS 40 -2.957 -8.902 -3.699
259 H TYR 41 H TYR 41 -6.189 -4.849 -5.567
260 HA TYR 41 HA TYR 41 -8.117 -4.274 -3.620
261 HB2 TYR 41 2HB TYR 41 -8.724 -4.779 -5.987
262 HB3 TYR 41 1HB TYR 41 -8.362 -6.478 -5.681
263 HD1 TYR 41 1HD TYR 41 -10.606 -3.688 -4.753
264 HD2 TYR 41 2HD TYR 41 -10.006 -7.896 -4.546
265 HE1 TYR 41 1HE TYR 41 -12.872 -3.963 -3.888
266 HE2 TYR 41 2HE TYR 41 -12.292 -8.172 -3.686
267 HH TYR 41 HH TYR 41 -14.599 -5.680 -3.772
268 H GLN 42 H GLN 42 -9.002 -5.414 -2.033
269 HA GLN 42 HA GLN 42 -8.367 -8.115 -1.445
270 HB2 GLN 42 2HB GLN 42 -6.508 -6.932 -0.310
271 HB3 GLN 42 1HB GLN 42 -7.648 -5.806 0.407
272 HG2 GLN 42 2HG GLN 42 -8.619 -7.582 1.732
273 HG3 GLN 42 1HG GLN 42 -7.566 -8.767 0.974
274 HE21 GLN 42 1HE2 GLN 42 -7.780 -6.142 3.218
275 HE22 GLN 42 2HE2 GLN 42 -6.257 -6.403 3.978
276 H PHE 43 H PHE 43 -10.082 -8.845 -0.032
277 HA PHE 43 HA PHE 43 -12.476 -7.430 -0.269
278 HB2 PHE 43 2HB PHE 43 -12.383 -9.882 0.063
279 HB3 PHE 43 1HB PHE 43 -11.708 -9.647 1.666
280 HD1 PHE 43 2HD PHE 43 -14.738 -9.371 -0.391
281 HD2 PHE 43 1HD PHE 43 -13.117 -9.119 3.537
282 HE1 PHE 43 2HE PHE 43 -17.007 -9.390 0.544
283 HE2 PHE 43 1HE PHE 43 -15.387 -9.141 4.475
284 HZ PHE 43 HZ PHE 43 -17.334 -9.275 2.982
285 HA PRO 44 HA PRO 44 -14.136 -6.660 0.483
286 HB2 PRO 44 2HB PRO 44 -15.729 -4.868 1.578
287 HB3 PRO 44 1HB PRO 44 -15.401 -6.402 2.391
288 HG2 PRO 44 2HG PRO 44 -14.444 -3.676 3.060
289 HG3 PRO 44 1HG PRO 44 -14.662 -5.077 4.116
290 HD2 PRO 44 2HD PRO 44 -12.235 -4.143 2.864
291 HD3 PRO 44 1HD PRO 44 -12.443 -5.527 3.956
292 H SER 45 H SER 45 -11.813 -4.307 0.539
293 HA SER 45 HA SER 45 -12.775 -3.056 -1.817
294 HB2 SER 45 2HB SER 45 -13.902 -1.726 0.082
295 HB3 SER 45 1HB SER 45 -12.268 -1.234 0.538
296 HG SER 45 HG SER 45 -13.869 -0.265 -1.337
297 H VAL 46 H VAL 46 -11.128 -1.849 -2.764
298 HA VAL 46 HA VAL 46 -8.617 -3.030 -2.413
299 HB VAL 46 HB VAL 46 -9.162 -2.316 -4.645
300 HG11 VAL 46 1HG1 VAL 46 -9.349 0.455 -3.562
301 HG12 VAL 46 2HG1 VAL 46 -10.678 -0.569 -4.166
302 HG13 VAL 46 3HG1 VAL 46 -9.396 -0.021 -5.264
303 HG21 VAL 46 3HG2 VAL 46 -7.020 -0.515 -3.586
304 HG22 VAL 46 1HG2 VAL 46 -7.304 -0.886 -5.289
305 HG23 VAL 46 2HG2 VAL 46 -6.816 -2.164 -4.175
306 H LYS 47 H LYS 47 -6.867 -2.588 -1.398
307 HA LYS 47 HA LYS 47 -7.038 -0.343 0.487
308 HB2 LYS 47 2HB LYS 47 -7.205 -2.867 1.230
309 HB3 LYS 47 1HB LYS 47 -5.483 -2.866 0.932
310 HG2 LYS 47 2HG LYS 47 -5.867 -2.526 3.275
311 HG3 LYS 47 1HG LYS 47 -5.211 -1.044 2.580
312 HD2 LYS 47 2HD LYS 47 -7.057 -0.588 4.154
313 HD3 LYS 47 1HD LYS 47 -7.451 -0.052 2.524
314 HE2 LYS 47 2HE LYS 47 -8.800 -2.070 2.174
315 HE3 LYS 47 1HE LYS 47 -8.361 -2.655 3.779
316 HZ1 LYS 47 3HZ LYS 47 -9.539 -0.841 4.747
317 HZ2 LYS 47 1HZ LYS 47 -10.567 -1.612 3.679
318 HZ3 LYS 47 2HZ LYS 47 -9.870 -0.144 3.244
319 H CYS 48 H CYS 48 -4.844 0.381 1.182
320 HA CYS 48 HA CYS 48 -3.091 0.654 -1.077
321 HB2 CYS 48 2HB CYS 48 -3.609 2.582 0.377
322 HB3 CYS 48 1HB CYS 48 -2.994 1.716 1.768
323 H PHE 49 H PHE 49 -1.665 -0.920 -1.465
324 HA PHE 49 HA PHE 49 -0.608 -2.413 0.810
325 HB2 PHE 49 2HB PHE 49 -1.037 -3.251 -2.050
326 HB3 PHE 49 1HB PHE 49 0.129 -4.055 -1.019
327 HD1 PHE 49 1HD PHE 49 -3.490 -3.123 -1.096
328 HD2 PHE 49 2HD PHE 49 -0.510 -5.825 0.282
329 HE1 PHE 49 1HE PHE 49 -5.236 -4.614 -0.210
330 HE2 PHE 49 2HE PHE 49 -2.238 -7.297 1.167
331 HZ PHE 49 HZ PHE 49 -4.605 -6.702 0.931
332 H CYS 50 H CYS 50 1.308 -2.070 1.327
333 HA CYS 50 HA CYS 50 2.929 -0.360 -0.315
334 HB2 CYS 50 2HB CYS 50 3.223 -1.347 2.503
335 HB3 CYS 50 1HB CYS 50 4.431 -0.359 1.686
336 H LYS 51 H LYS 51 5.001 -0.790 -0.888
337 HA LYS 51 HA LYS 51 5.453 -3.601 -1.479
338 HB2 LYS 51 2HB LYS 51 6.771 -1.104 -2.549
339 HB3 LYS 51 1HB LYS 51 7.138 -2.736 -3.038
340 HG2 LYS 51 2HG LYS 51 4.432 -1.466 -3.391
341 HG3 LYS 51 1HG LYS 51 5.706 -1.565 -4.614
342 HD2 LYS 51 2HD LYS 51 5.646 -4.011 -4.490
343 HD3 LYS 51 1HD LYS 51 4.367 -3.921 -3.280
344 HE2 LYS 51 2HE LYS 51 4.136 -2.763 -6.049
345 HE3 LYS 51 1HE LYS 51 3.585 -4.381 -5.625
346 HZ1 LYS 51 3HZ LYS 51 2.570 -1.879 -4.352
347 HZ2 LYS 51 1HZ LYS 51 2.030 -3.476 -4.121
348 HZ3 LYS 51 2HZ LYS 51 1.822 -2.741 -5.616
349 H ARG 52 H ARG 52 6.480 -4.521 0.041
350 HA ARG 52 HA ARG 52 8.623 -3.082 1.424
351 HB2 ARG 52 2HB ARG 52 8.756 -4.955 2.984
352 HB3 ARG 52 1HB ARG 52 7.123 -4.323 2.907
353 HG2 ARG 52 2HG ARG 52 6.309 -6.205 1.857
354 HG3 ARG 52 1HG ARG 52 7.895 -6.647 1.217
355 HD2 ARG 52 2HD ARG 52 7.168 -6.703 4.137
356 HD3 ARG 52 1HD ARG 52 7.126 -8.113 3.073
357 HE ARG 52 HE ARG 52 9.636 -7.063 2.759
358 HH11 ARG 52 1HH1 ARG 52 7.818 -8.242 5.556
359 HH12 ARG 52 2HH1 ARG 52 9.205 -8.823 6.359
360 HH21 ARG 52 1HH2 ARG 52 11.486 -7.830 3.843
361 HH22 ARG 52 2HH2 ARG 52 11.345 -8.585 5.372
362 H GLN 53 H GLN 53 10.700 -4.098 1.665
363 HA GLN 53 HA GLN 53 11.418 -5.310 -0.837
364 HB2 GLN 53 2HB GLN 53 12.749 -3.469 0.231
365 HB3 GLN 53 1HB GLN 53 13.191 -4.608 1.497
366 HG2 GLN 53 2HG GLN 53 14.184 -6.073 -0.223
367 HG3 GLN 53 1HG GLN 53 13.749 -4.836 -1.409
368 HE21 GLN 53 1HE2 GLN 53 16.364 -5.921 -0.579
369 HE22 GLN 53 2HE2 GLN 53 17.287 -4.517 -0.164
370 H CYS 54 H CYS 54 11.828 -7.407 -1.080
371 HA CYS 54 HA CYS 54 12.031 -8.987 1.348
372 HB2 CYS 54 2HB CYS 54 10.716 -9.691 -1.280
373 HB3 CYS 54 1HB CYS 54 10.923 -10.806 0.071
Start of MODEL 12
1 H1 ASP 1 1HT ASP 1 10.621 -9.638 -11.065
2 H2 ASP 1 2HT ASP 1 11.054 -9.169 -12.632
3 H3 ASP 1 3HT ASP 1 9.556 -8.706 -11.990
4 HA ASP 1 HA ASP 1 11.183 -6.915 -12.004
5 HB2 ASP 1 2HB ASP 1 10.291 -7.956 -9.312
6 HB3 ASP 1 1HB ASP 1 10.987 -6.359 -9.558
7 H GLY 2 H GLY 2 13.061 -6.040 -10.852
8 HA2 GLY 2 2HA GLY 2 15.159 -8.002 -10.712
9 HA3 GLY 2 1HA GLY 2 15.316 -6.262 -10.456
10 H VAL 3 H VAL 3 13.838 -5.598 -8.493
11 HA VAL 3 HA VAL 3 14.869 -7.127 -6.247
12 HB VAL 3 HB VAL 3 15.222 -4.651 -6.325
13 HG11 VAL 3 1HG1 VAL 3 13.392 -3.125 -5.793
14 HG12 VAL 3 2HG1 VAL 3 12.253 -4.453 -5.998
15 HG13 VAL 3 3HG1 VAL 3 13.216 -3.896 -7.371
16 HG21 VAL 3 3HG2 VAL 3 14.596 -4.164 -4.010
17 HG22 VAL 3 1HG2 VAL 3 15.304 -5.769 -4.182
18 HG23 VAL 3 2HG2 VAL 3 13.558 -5.591 -3.996
19 H LYS 4 H LYS 4 13.501 -7.977 -4.646
20 HA LYS 4 HA LYS 4 10.887 -8.639 -5.717
21 HB2 LYS 4 2HB LYS 4 12.521 -9.944 -3.513
22 HB3 LYS 4 1HB LYS 4 10.902 -10.444 -3.952
23 HG2 LYS 4 2HG LYS 4 12.458 -11.971 -4.959
24 HG3 LYS 4 1HG LYS 4 11.749 -10.998 -6.240
25 HD2 LYS 4 2HD LYS 4 13.787 -9.572 -6.225
26 HD3 LYS 4 1HD LYS 4 14.490 -10.630 -5.005
27 HE2 LYS 4 2HE LYS 4 14.428 -12.498 -6.550
28 HE3 LYS 4 1HE LYS 4 13.617 -11.501 -7.758
29 HZ1 LYS 4 3HZ LYS 4 16.408 -11.166 -6.761
30 HZ2 LYS 4 1HZ LYS 4 15.615 -10.057 -7.761
31 HZ3 LYS 4 2HZ LYS 4 15.903 -11.601 -8.311
32 H LEU 5 H LEU 5 9.433 -7.190 -5.155
33 HA LEU 5 HA LEU 5 9.473 -6.187 -2.414
34 HB2 LEU 5 2HB LEU 5 7.805 -5.141 -4.687
35 HB3 LEU 5 1HB LEU 5 8.115 -4.443 -3.101
36 HG LEU 5 HG LEU 5 10.198 -4.806 -5.208
37 HD11 LEU 5 1HD1 LEU 5 8.498 -3.194 -5.906
38 HD12 LEU 5 2HD1 LEU 5 10.028 -2.393 -5.546
39 HD13 LEU 5 3HD1 LEU 5 8.702 -2.322 -4.386
40 HD21 LEU 5 3HD2 LEU 5 10.214 -3.363 -2.564
41 HD22 LEU 5 1HD2 LEU 5 11.483 -3.237 -3.790
42 HD23 LEU 5 2HD2 LEU 5 11.146 -4.789 -3.039
43 H CYS 6 H CYS 6 7.979 -6.641 -1.107
44 HA CYS 6 HA CYS 6 5.772 -8.413 -1.948
45 HB2 CYS 6 2HB CYS 6 6.744 -7.891 0.872
46 HB3 CYS 6 1HB CYS 6 5.709 -9.201 0.322
47 H ASP 7 H ASP 7 3.732 -7.621 -1.874
48 HA ASP 7 HA ASP 7 3.268 -4.883 -1.136
49 HB2 ASP 7 2HB ASP 7 1.313 -7.034 -2.037
50 HB3 ASP 7 1HB ASP 7 0.896 -5.351 -1.808
51 H VAL 8 H VAL 8 2.833 -4.212 0.789
52 HA VAL 8 HA VAL 8 1.822 -6.047 2.881
53 HB VAL 8 HB VAL 8 3.345 -3.448 3.196
54 HG11 VAL 8 1HG1 VAL 8 3.699 -4.149 5.507
55 HG12 VAL 8 2HG1 VAL 8 2.694 -5.572 5.226
56 HG13 VAL 8 3HG1 VAL 8 1.988 -3.958 5.126
57 HG21 VAL 8 3HG2 VAL 8 5.287 -4.764 3.771
58 HG22 VAL 8 1HG2 VAL 8 4.750 -5.112 2.132
59 HG23 VAL 8 2HG2 VAL 8 4.401 -6.257 3.434
60 HA PRO 9 HA PRO 9 -1.807 -3.322 2.695
61 HB2 PRO 9 2HB PRO 9 -2.489 -4.542 5.291
62 HB3 PRO 9 1HB PRO 9 -3.412 -4.533 3.788
63 HG2 PRO 9 2HG PRO 9 -2.219 -6.755 4.702
64 HG3 PRO 9 1HG PRO 9 -2.359 -6.403 2.971
65 HD2 PRO 9 2HD PRO 9 0.008 -6.133 4.774
66 HD3 PRO 9 1HD PRO 9 -0.082 -6.678 3.084
67 H SER 10 H SER 10 -1.714 -1.267 3.303
68 HA SER 10 HA SER 10 -0.274 -0.452 5.654
69 HB2 SER 10 2HB SER 10 -0.278 0.850 3.454
70 HB3 SER 10 1HB SER 10 -1.967 1.233 3.779
71 HG SER 10 HG SER 10 0.254 1.913 5.408
72 H GLY 11 H GLY 11 -1.243 -0.729 7.537
73 HA2 GLY 11 2HA GLY 11 -4.046 -1.154 7.822
74 HA3 GLY 11 1HA GLY 11 -2.876 -1.056 9.126
75 H THR 12 H THR 12 -2.183 1.638 7.749
76 HA THR 12 HA THR 12 -3.893 3.194 9.450
77 HB THR 12 HB THR 12 -2.537 5.132 8.550
78 HG1 THR 12 1HG THR 12 -0.851 3.130 7.447
79 HG21 THR 12 3HG2 THR 12 -0.501 4.487 9.764
80 HG22 THR 12 1HG2 THR 12 -1.031 2.807 9.745
81 HG23 THR 12 2HG2 THR 12 -1.956 4.008 10.641
82 H TRP 13 H TRP 13 -4.051 2.104 6.276
83 HA TRP 13 HA TRP 13 -5.575 4.407 5.349
84 HB2 TRP 13 2HB TRP 13 -3.816 3.281 3.910
85 HB3 TRP 13 1HB TRP 13 -4.881 1.884 3.836
86 HD1 TRP 13 HD TRP 13 -7.279 2.303 2.543
87 HE1 TRP 13 1HE TRP 13 -7.838 3.872 0.567
88 HE3 TRP 13 3HE TRP 13 -3.271 5.430 2.850
89 HZ2 TRP 13 2HZ TRP 13 -6.696 6.106 -0.695
90 HZ3 TRP 13 3HZ TRP 13 -3.072 7.256 1.223
91 HH2 TRP 13 HH TRP 13 -4.756 7.584 -0.517
92 H SER 14 H SER 14 -7.764 4.284 4.956
93 HA SER 14 HA SER 14 -9.080 1.751 5.483
94 HB2 SER 14 2HB SER 14 -9.817 4.434 6.663
95 HB3 SER 14 1HB SER 14 -10.759 2.954 6.838
96 HG SER 14 HG SER 14 -8.497 2.178 7.595
97 H GLY 15 H GLY 15 -10.858 1.414 4.191
98 HA2 GLY 15 2HA GLY 15 -12.604 2.033 2.790
99 HA3 GLY 15 1HA GLY 15 -11.898 3.640 2.666
100 H HIS 16 H HIS 16 -12.233 3.507 0.466
101 HA HIS 16 HA HIS 16 -10.893 1.503 -1.118
102 HB2 HIS 16 2HB HIS 16 -13.091 2.231 -1.833
103 HB3 HIS 16 1HB HIS 16 -12.589 3.910 -1.815
104 HD1 HIS 16 1HD HIS 16 -12.561 0.844 -3.974
105 HD2 HIS 16 2HD HIS 16 -11.077 4.719 -4.040
106 HE1 HIS 16 1HE HIS 16 -11.883 1.295 -6.360
107 H CYS 17 H CYS 17 -8.897 1.697 -1.733
108 HA CYS 17 HA CYS 17 -7.492 4.212 -1.559
109 HB2 CYS 17 2HB CYS 17 -6.448 1.999 -0.950
110 HB3 CYS 17 1HB CYS 17 -6.518 1.557 -2.646
111 H GLY 18 H GLY 18 -8.143 5.602 -3.111
112 HA2 GLY 18 2HA GLY 18 -8.131 4.598 -5.869
113 HA3 GLY 18 1HA GLY 18 -9.136 5.928 -5.315
114 H SER 19 H SER 19 -6.024 5.793 -3.998
115 HA SER 19 HA SER 19 -4.859 7.498 -6.024
116 HB2 SER 19 2HB SER 19 -6.016 9.055 -4.497
117 HB3 SER 19 1HB SER 19 -5.162 8.340 -3.135
118 HG SER 19 HG SER 19 -4.196 9.978 -5.195
119 H SER 20 H SER 20 -3.130 6.244 -6.423
120 HA SER 20 HA SER 20 -1.885 4.819 -4.308
121 HB2 SER 20 2HB SER 20 -1.091 5.127 -7.203
122 HB3 SER 20 1HB SER 20 -0.322 4.018 -6.059
123 HG SER 20 HG SER 20 -3.094 4.052 -6.554
124 H SER 21 H SER 21 -1.451 7.931 -5.776
125 HA SER 21 HA SER 21 1.214 8.330 -4.926
126 HB2 SER 21 2HB SER 21 0.545 10.762 -5.268
127 HB3 SER 21 1HB SER 21 0.375 9.701 -6.670
128 HG SER 21 HG SER 21 -1.493 10.824 -6.514
129 H LYS 22 H LYS 22 -1.969 9.062 -3.532
130 HA LYS 22 HA LYS 22 -0.870 10.177 -1.165
131 HB2 LYS 22 2HB LYS 22 -3.621 9.093 -1.752
132 HB3 LYS 22 1HB LYS 22 -3.186 9.825 -0.213
133 HG2 LYS 22 2HG LYS 22 -2.704 11.925 -1.310
134 HG3 LYS 22 1HG LYS 22 -3.024 11.202 -2.887
135 HD2 LYS 22 2HD LYS 22 -5.341 10.805 -2.246
136 HD3 LYS 22 1HD LYS 22 -5.023 11.478 -0.646
137 HE2 LYS 22 2HE LYS 22 -6.130 13.106 -2.098
138 HE3 LYS 22 1HE LYS 22 -4.520 13.640 -1.637
139 HZ1 LYS 22 3HZ LYS 22 -5.055 14.018 -3.981
140 HZ2 LYS 22 1HZ LYS 22 -5.187 12.376 -4.258
141 HZ3 LYS 22 2HZ LYS 22 -3.698 13.047 -3.821
142 H CYS 23 H CYS 23 -1.891 6.971 -2.112
143 HA CYS 23 HA CYS 23 -1.598 5.618 0.292
144 HB2 CYS 23 2HB CYS 23 -2.513 4.500 -1.657
145 HB3 CYS 23 1HB CYS 23 -1.012 4.755 -2.536
146 H SER 24 H SER 24 0.881 6.099 -2.248
147 HA SER 24 HA SER 24 2.940 4.936 -0.811
148 HB2 SER 24 2HB SER 24 4.413 6.279 -2.427
149 HB3 SER 24 1HB SER 24 3.290 5.098 -3.103
150 HG SER 24 HG SER 24 1.991 6.659 -3.760
151 H GLN 25 H GLN 25 2.069 8.377 -1.045
152 HA GLN 25 HA GLN 25 4.231 9.249 0.521
153 HB2 GLN 25 2HB GLN 25 1.556 10.542 0.041
154 HB3 GLN 25 1HB GLN 25 2.911 11.343 0.830
155 HG2 GLN 25 2HG GLN 25 4.263 11.095 -1.159
156 HG3 GLN 25 1HG GLN 25 2.973 10.194 -1.948
157 HE21 GLN 25 1HE2 GLN 25 1.200 11.264 -2.655
158 HE22 GLN 25 2HE2 GLN 25 1.135 12.983 -2.863
159 H GLN 26 H GLN 26 0.935 8.346 1.501
160 HA GLN 26 HA GLN 26 1.258 8.977 4.261
161 HB2 GLN 26 2HB GLN 26 -0.962 8.493 3.149
162 HB3 GLN 26 1HB GLN 26 -0.490 6.805 3.078
163 HG2 GLN 26 2HG GLN 26 -0.336 6.768 5.535
164 HG3 GLN 26 1HG GLN 26 -0.883 8.442 5.574
165 HE21 GLN 26 1HE2 GLN 26 -1.805 5.135 5.143
166 HE22 GLN 26 2HE2 GLN 26 -3.501 5.418 5.089
167 H CYS 27 H CYS 27 1.662 6.040 2.387
168 HA CYS 27 HA CYS 27 2.397 4.272 4.351
169 HB2 CYS 27 2HB CYS 27 1.954 3.521 2.127
170 HB3 CYS 27 1HB CYS 27 3.258 4.504 1.476
171 H LYS 28 H LYS 28 4.549 6.339 2.385
172 HA LYS 28 HA LYS 28 6.968 5.549 3.599
173 HB2 LYS 28 2HB LYS 28 6.265 8.097 2.136
174 HB3 LYS 28 1HB LYS 28 7.889 7.625 2.623
175 HG2 LYS 28 2HG LYS 28 7.883 5.800 1.123
176 HG3 LYS 28 1HG LYS 28 6.167 6.038 0.762
177 HD2 LYS 28 2HD LYS 28 6.610 8.169 -0.250
178 HD3 LYS 28 1HD LYS 28 8.301 8.106 0.242
179 HE2 LYS 28 2HE LYS 28 6.974 6.174 -1.648
180 HE3 LYS 28 1HE LYS 28 7.947 7.558 -2.145
181 HZ1 LYS 28 3HZ LYS 28 9.251 5.534 -2.134
182 HZ2 LYS 28 1HZ LYS 28 8.943 5.296 -0.482
183 HZ3 LYS 28 2HZ LYS 28 9.825 6.637 -1.030
184 H ASP 29 H ASP 29 4.660 8.084 4.386
185 HA ASP 29 HA ASP 29 6.362 9.303 6.331
186 HB2 ASP 29 2HB ASP 29 4.559 10.585 5.250
187 HB3 ASP 29 1HB ASP 29 3.368 9.533 6.006
188 H ARG 30 H ARG 30 3.864 6.864 6.402
189 HA ARG 30 HA ARG 30 3.781 6.621 9.239
190 HB2 ARG 30 2HB ARG 30 3.076 4.569 7.131
191 HB3 ARG 30 1HB ARG 30 2.763 4.384 8.842
192 HG2 ARG 30 2HG ARG 30 1.533 6.446 7.017
193 HG3 ARG 30 1HG ARG 30 0.752 4.986 7.607
194 HD2 ARG 30 2HD ARG 30 -0.086 6.694 8.978
195 HD3 ARG 30 1HD ARG 30 1.171 5.938 9.950
196 HE ARG 30 HE ARG 30 2.318 8.056 8.566
197 HH11 ARG 30 1HH1 ARG 30 -0.052 7.558 11.168
198 HH12 ARG 30 2HH1 ARG 30 0.158 9.109 11.818
199 HH21 ARG 30 1HH2 ARG 30 2.578 10.187 9.482
200 HH22 ARG 30 2HH2 ARG 30 1.680 10.623 10.860
201 H GLU 31 H GLU 31 5.419 4.688 6.717
202 HA GLU 31 HA GLU 31 7.472 3.936 8.648
203 HB2 GLU 31 2HB GLU 31 5.954 2.022 6.873
204 HB3 GLU 31 1HB GLU 31 7.358 1.601 7.843
205 HG2 GLU 31 2HG GLU 31 6.152 2.026 9.867
206 HG3 GLU 31 1HG GLU 31 4.777 2.644 8.959
207 H HIS 32 H HIS 32 9.440 3.314 7.534
208 HA HIS 32 HA HIS 32 9.548 4.911 5.168
209 HB2 HIS 32 2HB HIS 32 11.826 3.821 6.801
210 HB3 HIS 32 1HB HIS 32 12.022 4.810 5.353
211 HD1 HIS 32 1HD HIS 32 11.143 7.341 5.537
212 HD2 HIS 32 2HD HIS 32 11.165 5.150 9.057
213 HE1 HIS 32 1HE HIS 32 10.834 9.014 7.390
214 H PHE 33 H PHE 33 8.390 3.468 3.991
215 HA PHE 33 HA PHE 33 9.905 1.282 2.838
216 HB2 PHE 33 2HB PHE 33 7.098 2.292 2.271
217 HB3 PHE 33 1HB PHE 33 7.840 0.968 1.392
218 HD1 PHE 33 2HD PHE 33 8.553 -1.101 2.751
219 HD2 PHE 33 1HD PHE 33 5.942 1.896 4.277
220 HE1 PHE 33 2HE PHE 33 7.738 -2.672 4.453
221 HE2 PHE 33 1HE PHE 33 5.128 0.304 5.973
222 HZ PHE 33 HZ PHE 33 6.023 -1.971 6.054
223 H ALA 34 H ALA 34 11.389 1.826 1.477
224 HA ALA 34 HA ALA 34 11.688 4.334 0.257
225 HB1 ALA 34 1HB ALA 34 12.996 1.731 -0.507
226 HB2 ALA 34 2HB ALA 34 13.562 2.836 0.744
227 HB3 ALA 34 3HB ALA 34 13.554 3.345 -0.944
228 H TYR 35 H TYR 35 10.165 1.430 -0.802
229 HA TYR 35 HA TYR 35 9.909 2.427 -3.516
230 HB2 TYR 35 2HB TYR 35 9.138 -0.229 -2.289
231 HB3 TYR 35 1HB TYR 35 8.916 0.190 -3.983
232 HD1 TYR 35 2HD TYR 35 11.504 -0.304 -1.370
233 HD2 TYR 35 1HD TYR 35 10.680 -0.037 -5.507
234 HE1 TYR 35 2HE TYR 35 13.771 -1.060 -1.836
235 HE2 TYR 35 1HE TYR 35 12.975 -0.801 -6.015
236 HH TYR 35 HH TYR 35 15.052 -2.098 -3.600
237 H GLY 36 H GLY 36 8.310 2.947 -0.714
238 HA2 GLY 36 2HA GLY 36 6.311 3.902 -0.256
239 HA3 GLY 36 1HA GLY 36 6.116 4.153 -1.981
240 H GLY 37 H GLY 37 4.118 3.492 -2.438
241 HA2 GLY 37 2HA GLY 37 3.402 0.785 -2.191
242 HA3 GLY 37 1HA GLY 37 2.569 1.789 -1.001
243 H ALA 38 H ALA 38 1.115 0.506 -2.843
244 HA ALA 38 HA ALA 38 -0.032 2.703 -4.315
245 HB1 ALA 38 1HB ALA 38 1.500 1.771 -5.962
246 HB2 ALA 38 2HB ALA 38 -0.162 1.371 -6.405
247 HB3 ALA 38 3HB ALA 38 0.875 0.154 -5.660
248 H CYS 39 H CYS 39 -2.145 1.899 -5.281
249 HA CYS 39 HA CYS 39 -3.555 0.574 -3.175
250 HB2 CYS 39 2HB CYS 39 -4.496 1.521 -5.876
251 HB3 CYS 39 1HB CYS 39 -5.537 1.087 -4.523
252 H HIS 40 H HIS 40 -4.318 -1.497 -3.126
253 HA HIS 40 HA HIS 40 -4.244 -3.132 -5.531
254 HB2 HIS 40 2HB HIS 40 -2.029 -3.412 -4.418
255 HB3 HIS 40 1HB HIS 40 -2.840 -3.859 -2.933
256 HD1 HIS 40 1HD HIS 40 -1.446 -5.287 -6.026
257 HD2 HIS 40 2HD HIS 40 -4.133 -6.422 -3.064
258 HE1 HIS 40 1HE HIS 40 -1.702 -7.779 -6.234
259 H TYR 41 H TYR 41 -5.856 -4.714 -5.491
260 HA TYR 41 HA TYR 41 -7.911 -4.424 -3.413
261 HB2 TYR 41 2HB TYR 41 -8.340 -4.466 -5.967
262 HB3 TYR 41 1HB TYR 41 -8.042 -6.193 -5.849
263 HD1 TYR 41 1HD TYR 41 -9.511 -7.362 -3.840
264 HD2 TYR 41 2HD TYR 41 -10.528 -3.788 -5.907
265 HE1 TYR 41 1HE TYR 41 -11.840 -7.675 -3.222
266 HE2 TYR 41 2HE TYR 41 -12.854 -4.080 -5.290
267 HH TYR 41 HH TYR 41 -13.908 -6.176 -2.919
268 H GLN 42 H GLN 42 -7.714 -5.632 -1.665
269 HA GLN 42 HA GLN 42 -7.072 -8.458 -2.131
270 HB2 GLN 42 2HB GLN 42 -5.346 -7.491 -0.697
271 HB3 GLN 42 1HB GLN 42 -6.573 -6.938 0.441
272 HG2 GLN 42 2HG GLN 42 -7.196 -9.228 0.921
273 HG3 GLN 42 1HG GLN 42 -6.060 -9.831 -0.268
274 HE21 GLN 42 1HE2 GLN 42 -6.222 -10.471 2.532
275 HE22 GLN 42 2HE2 GLN 42 -4.718 -9.991 3.231
276 H PHE 43 H PHE 43 -8.372 -7.127 0.654
277 HA PHE 43 HA PHE 43 -11.002 -7.983 0.002
278 HB2 PHE 43 2HB PHE 43 -10.010 -10.120 0.680
279 HB3 PHE 43 1HB PHE 43 -9.482 -9.418 2.202
280 HD1 PHE 43 1HD PHE 43 -12.467 -10.367 0.237
281 HD2 PHE 43 2HD PHE 43 -10.921 -9.371 4.074
282 HE1 PHE 43 1HE PHE 43 -14.585 -11.048 1.264
283 HE2 PHE 43 2HE PHE 43 -13.043 -10.054 5.103
284 HZ PHE 43 HZ PHE 43 -14.876 -10.894 3.695
285 HA PRO 44 HA PRO 44 -12.776 -7.585 0.441
286 HB2 PRO 44 2HB PRO 44 -14.910 -6.112 1.049
287 HB3 PRO 44 1HB PRO 44 -14.370 -7.410 2.119
288 HG2 PRO 44 2HG PRO 44 -14.147 -4.474 2.454
289 HG3 PRO 44 1HG PRO 44 -14.259 -5.745 3.679
290 HD2 PRO 44 2HD PRO 44 -11.900 -4.429 2.749
291 HD3 PRO 44 1HD PRO 44 -12.003 -5.779 3.895
292 H SER 45 H SER 45 -11.195 -4.687 0.574
293 HA SER 45 HA SER 45 -12.465 -3.652 -1.865
294 HB2 SER 45 2HB SER 45 -11.640 -2.041 0.559
295 HB3 SER 45 1HB SER 45 -12.380 -1.395 -0.902
296 HG SER 45 HG SER 45 -14.119 -2.969 -0.385
297 H VAL 46 H VAL 46 -10.989 -1.730 -2.670
298 HA VAL 46 HA VAL 46 -8.287 -2.636 -3.035
299 HB VAL 46 HB VAL 46 -9.432 0.106 -3.680
300 HG11 VAL 46 1HG1 VAL 46 -7.636 0.233 -5.312
301 HG12 VAL 46 2HG1 VAL 46 -7.117 -1.394 -4.878
302 HG13 VAL 46 3HG1 VAL 46 -6.992 -0.094 -3.697
303 HG21 VAL 46 3HG2 VAL 46 -9.877 -0.673 -5.925
304 HG22 VAL 46 1HG2 VAL 46 -10.778 -1.658 -4.772
305 HG23 VAL 46 2HG2 VAL 46 -9.291 -2.279 -5.508
306 H LYS 47 H LYS 47 -6.736 -2.311 -1.584
307 HA LYS 47 HA LYS 47 -7.088 -0.091 0.301
308 HB2 LYS 47 2HB LYS 47 -7.482 -2.422 1.229
309 HB3 LYS 47 1HB LYS 47 -5.808 -2.777 0.880
310 HG2 LYS 47 2HG LYS 47 -6.101 -2.284 3.232
311 HG3 LYS 47 1HG LYS 47 -5.100 -1.051 2.470
312 HD2 LYS 47 2HD LYS 47 -6.682 0.017 3.973
313 HD3 LYS 47 1HD LYS 47 -7.075 0.408 2.302
314 HE2 LYS 47 2HE LYS 47 -9.101 -0.055 3.583
315 HE3 LYS 47 1HE LYS 47 -8.878 -1.267 2.329
316 HZ1 LYS 47 3HZ LYS 47 -9.547 -2.229 4.466
317 HZ2 LYS 47 1HZ LYS 47 -8.165 -1.623 5.195
318 HZ3 LYS 47 2HZ LYS 47 -8.035 -2.789 4.004
319 H CYS 48 H CYS 48 -4.886 0.504 1.285
320 HA CYS 48 HA CYS 48 -3.027 0.992 -0.862
321 HB2 CYS 48 2HB CYS 48 -3.595 2.776 0.702
322 HB3 CYS 48 1HB CYS 48 -3.089 1.791 2.059
323 H PHE 49 H PHE 49 -1.284 -0.256 -1.265
324 HA PHE 49 HA PHE 49 -0.320 -2.021 0.861
325 HB2 PHE 49 2HB PHE 49 -0.757 -2.614 -2.049
326 HB3 PHE 49 1HB PHE 49 0.421 -3.498 -1.101
327 HD1 PHE 49 2HD PHE 49 -3.196 -2.555 -1.051
328 HD2 PHE 49 1HD PHE 49 -0.217 -5.401 -0.009
329 HE1 PHE 49 2HE PHE 49 -4.939 -4.121 -0.303
330 HE2 PHE 49 1HE PHE 49 -1.943 -6.948 0.732
331 HZ PHE 49 HZ PHE 49 -4.297 -6.324 0.596
332 H CYS 50 H CYS 50 1.581 -1.546 1.432
333 HA CYS 50 HA CYS 50 3.365 0.127 -0.092
334 HB2 CYS 50 2HB CYS 50 3.689 -1.294 2.552
335 HB3 CYS 50 1HB CYS 50 4.812 -0.114 1.884
336 H LYS 51 H LYS 51 5.311 -0.550 -0.980
337 HA LYS 51 HA LYS 51 5.474 -3.448 -1.346
338 HB2 LYS 51 2HB LYS 51 6.829 -1.267 -2.982
339 HB3 LYS 51 1HB LYS 51 6.921 -2.980 -3.273
340 HG2 LYS 51 2HG LYS 51 4.461 -3.048 -3.610
341 HG3 LYS 51 1HG LYS 51 4.453 -1.287 -3.505
342 HD2 LYS 51 2HD LYS 51 5.954 -1.151 -5.425
343 HD3 LYS 51 1HD LYS 51 6.034 -2.909 -5.503
344 HE2 LYS 51 2HE LYS 51 3.579 -2.953 -5.890
345 HE3 LYS 51 1HE LYS 51 3.591 -1.191 -5.940
346 HZ1 LYS 51 3HZ LYS 51 5.040 -2.999 -7.793
347 HZ2 LYS 51 1HZ LYS 51 5.083 -1.316 -7.884
348 HZ3 LYS 51 2HZ LYS 51 3.651 -2.169 -8.152
349 H ARG 52 H ARG 52 6.628 -4.264 0.271
350 HA ARG 52 HA ARG 52 8.901 -2.770 1.263
351 HB2 ARG 52 2HB ARG 52 9.141 -4.442 3.013
352 HB3 ARG 52 1HB ARG 52 7.457 -3.963 2.888
353 HG2 ARG 52 2HG ARG 52 6.920 -5.985 1.721
354 HG3 ARG 52 1HG ARG 52 8.617 -6.464 1.696
355 HD2 ARG 52 2HD ARG 52 6.924 -6.084 4.172
356 HD3 ARG 52 1HD ARG 52 7.355 -7.631 3.448
357 HE ARG 52 HE ARG 52 9.702 -6.220 3.976
358 HH11 ARG 52 1HH1 ARG 52 7.104 -7.854 5.743
359 HH12 ARG 52 2HH1 ARG 52 8.046 -8.156 7.124
360 HH21 ARG 52 1HH2 ARG 52 11.004 -6.663 5.852
361 HH22 ARG 52 2HH2 ARG 52 10.315 -7.482 7.177
362 H GLN 53 H GLN 53 10.989 -3.378 1.193
363 HA GLN 53 HA GLN 53 11.722 -4.861 -1.161
364 HB2 GLN 53 2HB GLN 53 12.685 -2.648 -0.420
365 HB3 GLN 53 1HB GLN 53 13.436 -3.512 0.905
366 HG2 GLN 53 2HG GLN 53 14.727 -4.838 -0.711
367 HG3 GLN 53 1HG GLN 53 13.947 -3.953 -2.011
368 HE21 GLN 53 1HE2 GLN 53 14.839 -2.381 0.971
369 HE22 GLN 53 2HE2 GLN 53 16.124 -1.443 0.331
370 H CYS 54 H CYS 54 11.429 -7.039 -0.770
371 HA CYS 54 HA CYS 54 12.251 -8.174 1.748
372 HB2 CYS 54 2HB CYS 54 10.931 -9.407 -0.686
373 HB3 CYS 54 1HB CYS 54 11.276 -10.270 0.810
Start of MODEL 13
1 H1 ASP 1 1HT ASP 1 13.360 -10.212 -11.822
2 H2 ASP 1 2HT ASP 1 14.215 -11.036 -13.057
3 H3 ASP 1 3HT ASP 1 13.996 -9.345 -13.107
4 HA ASP 1 HA ASP 1 15.486 -10.700 -10.992
5 HB2 ASP 1 2HB ASP 1 16.481 -9.196 -13.428
6 HB3 ASP 1 1HB ASP 1 17.478 -9.628 -12.049
7 H GLY 2 H GLY 2 16.323 -9.299 -9.514
8 HA2 GLY 2 2HA GLY 2 16.890 -6.967 -9.039
9 HA3 GLY 2 1HA GLY 2 15.317 -6.552 -9.714
10 H VAL 3 H VAL 3 14.776 -5.560 -7.736
11 HA VAL 3 HA VAL 3 14.564 -7.279 -5.458
12 HB VAL 3 HB VAL 3 13.707 -5.292 -4.268
13 HG11 VAL 3 1HG1 VAL 3 15.798 -4.000 -4.297
14 HG12 VAL 3 2HG1 VAL 3 16.274 -4.840 -5.776
15 HG13 VAL 3 3HG1 VAL 3 16.075 -5.741 -4.273
16 HG21 VAL 3 3HG2 VAL 3 14.174 -3.836 -6.875
17 HG22 VAL 3 1HG2 VAL 3 13.803 -3.066 -5.332
18 HG23 VAL 3 2HG2 VAL 3 12.614 -4.114 -6.104
19 H LYS 4 H LYS 4 12.865 -8.417 -5.003
20 HA LYS 4 HA LYS 4 10.385 -7.863 -6.401
21 HB2 LYS 4 2HB LYS 4 11.436 -10.233 -4.895
22 HB3 LYS 4 1HB LYS 4 9.700 -10.015 -5.021
23 HG2 LYS 4 2HG LYS 4 10.540 -11.525 -6.752
24 HG3 LYS 4 1HG LYS 4 9.830 -10.079 -7.451
25 HD2 LYS 4 2HD LYS 4 11.816 -10.574 -8.680
26 HD3 LYS 4 1HD LYS 4 12.166 -9.172 -7.677
27 HE2 LYS 4 2HE LYS 4 14.035 -10.706 -7.618
28 HE3 LYS 4 1HE LYS 4 13.259 -10.634 -6.039
29 HZ1 LYS 4 3HZ LYS 4 13.827 -12.900 -6.708
30 HZ2 LYS 4 1HZ LYS 4 12.835 -12.770 -8.054
31 HZ3 LYS 4 2HZ LYS 4 12.169 -12.742 -6.506
32 H LEU 5 H LEU 5 8.571 -7.145 -5.403
33 HA LEU 5 HA LEU 5 9.059 -6.277 -2.651
34 HB2 LEU 5 2HB LEU 5 7.151 -4.996 -4.598
35 HB3 LEU 5 1HB LEU 5 7.677 -4.414 -3.022
36 HG LEU 5 HG LEU 5 9.434 -4.675 -5.436
37 HD11 LEU 5 1HD1 LEU 5 9.407 -2.234 -5.492
38 HD12 LEU 5 2HD1 LEU 5 8.278 -2.211 -4.145
39 HD13 LEU 5 3HD1 LEU 5 7.785 -2.895 -5.697
40 HD21 LEU 5 3HD2 LEU 5 11.054 -3.370 -4.100
41 HD22 LEU 5 1HD2 LEU 5 10.700 -4.955 -3.411
42 HD23 LEU 5 2HD2 LEU 5 9.973 -3.506 -2.713
43 H CYS 6 H CYS 6 7.574 -6.551 -1.184
44 HA CYS 6 HA CYS 6 5.335 -8.347 -1.876
45 HB2 CYS 6 2HB CYS 6 6.574 -7.896 0.850
46 HB3 CYS 6 1HB CYS 6 5.385 -9.118 0.420
47 H ASP 7 H ASP 7 3.287 -7.695 -1.479
48 HA ASP 7 HA ASP 7 2.897 -4.908 -0.815
49 HB2 ASP 7 2HB ASP 7 0.922 -7.037 -1.668
50 HB3 ASP 7 1HB ASP 7 0.498 -5.359 -1.411
51 H VAL 8 H VAL 8 2.778 -4.342 1.171
52 HA VAL 8 HA VAL 8 1.705 -6.134 3.225
53 HB VAL 8 HB VAL 8 3.131 -3.470 3.507
54 HG11 VAL 8 1HG1 VAL 8 1.730 -3.956 5.426
55 HG12 VAL 8 2HG1 VAL 8 3.433 -4.099 5.861
56 HG13 VAL 8 3HG1 VAL 8 2.468 -5.550 5.585
57 HG21 VAL 8 3HG2 VAL 8 4.222 -6.258 3.832
58 HG22 VAL 8 1HG2 VAL 8 5.085 -4.764 4.203
59 HG23 VAL 8 2HG2 VAL 8 4.615 -5.122 2.541
60 HA PRO 9 HA PRO 9 -2.073 -3.686 2.932
61 HB2 PRO 9 2HB PRO 9 -2.647 -4.810 5.597
62 HB3 PRO 9 1HB PRO 9 -3.587 -4.940 4.110
63 HG2 PRO 9 2HG PRO 9 -2.220 -7.017 5.143
64 HG3 PRO 9 1HG PRO 9 -2.457 -6.807 3.401
65 HD2 PRO 9 2HD PRO 9 -0.040 -6.314 5.070
66 HD3 PRO 9 1HD PRO 9 -0.180 -6.889 3.392
67 H SER 10 H SER 10 -1.661 -1.562 3.307
68 HA SER 10 HA SER 10 -0.228 -0.625 5.498
69 HB2 SER 10 2HB SER 10 -2.140 0.881 3.720
70 HB3 SER 10 1HB SER 10 -0.772 1.545 4.619
71 HG SER 10 HG SER 10 0.506 0.940 3.068
72 H GLY 11 H GLY 11 -0.972 -0.817 7.530
73 HA2 GLY 11 2HA GLY 11 -3.736 -0.926 8.233
74 HA3 GLY 11 1HA GLY 11 -2.373 -0.789 9.344
75 H THR 12 H THR 12 -1.520 1.536 7.639
76 HA THR 12 HA THR 12 -2.575 3.638 9.161
77 HB THR 12 HB THR 12 -1.353 5.009 7.395
78 HG1 THR 12 1HG THR 12 0.030 2.926 6.375
79 HG21 THR 12 3HG2 THR 12 -0.252 4.253 9.477
80 HG22 THR 12 1HG2 THR 12 0.877 4.261 8.121
81 HG23 THR 12 2HG2 THR 12 0.183 2.741 8.688
82 H TRP 13 H TRP 13 -3.199 2.352 5.964
83 HA TRP 13 HA TRP 13 -5.199 4.415 5.437
84 HB2 TRP 13 2HB TRP 13 -3.391 3.805 3.759
85 HB3 TRP 13 1HB TRP 13 -4.221 2.264 3.585
86 HD1 TRP 13 HD TRP 13 -6.906 2.514 2.658
87 HE1 TRP 13 1HE TRP 13 -7.797 4.169 0.875
88 HE3 TRP 13 3HE TRP 13 -3.113 5.937 2.726
89 HZ2 TRP 13 2HZ TRP 13 -6.985 6.562 -0.340
90 HZ3 TRP 13 3HZ TRP 13 -3.239 7.864 1.222
91 HH2 TRP 13 HH TRP 13 -5.134 8.170 -0.282
92 H SER 14 H SER 14 -6.962 3.769 6.554
93 HA SER 14 HA SER 14 -7.992 1.094 6.006
94 HB2 SER 14 2HB SER 14 -7.644 1.887 8.433
95 HB3 SER 14 1HB SER 14 -8.943 3.035 8.136
96 HG SER 14 HG SER 14 -10.247 1.177 7.559
97 H GLY 15 H GLY 15 -9.271 1.184 4.271
98 HA2 GLY 15 2HA GLY 15 -11.625 2.085 3.840
99 HA3 GLY 15 1HA GLY 15 -10.770 3.621 3.751
100 H HIS 16 H HIS 16 -11.755 3.530 1.592
101 HA HIS 16 HA HIS 16 -10.724 1.705 -0.344
102 HB2 HIS 16 2HB HIS 16 -12.952 2.703 -0.591
103 HB3 HIS 16 1HB HIS 16 -12.247 4.308 -0.654
104 HD1 HIS 16 1HD HIS 16 -12.663 1.187 -2.733
105 HD2 HIS 16 2HD HIS 16 -11.307 5.090 -3.123
106 HE1 HIS 16 1HE HIS 16 -12.366 1.575 -5.209
107 H CYS 17 H CYS 17 -8.926 1.870 -1.469
108 HA CYS 17 HA CYS 17 -7.335 4.306 -1.288
109 HB2 CYS 17 2HB CYS 17 -6.311 2.050 -0.807
110 HB3 CYS 17 1HB CYS 17 -6.578 1.635 -2.491
111 H GLY 18 H GLY 18 -8.330 5.627 -2.712
112 HA2 GLY 18 2HA GLY 18 -8.390 4.723 -5.507
113 HA3 GLY 18 1HA GLY 18 -9.310 6.085 -4.866
114 H SER 19 H SER 19 -7.178 7.052 -3.268
115 HA SER 19 HA SER 19 -5.794 8.585 -5.260
116 HB2 SER 19 2HB SER 19 -5.667 8.747 -2.247
117 HB3 SER 19 1HB SER 19 -5.205 10.006 -3.399
118 HG SER 19 HG SER 19 -7.632 9.408 -4.043
119 H SER 20 H SER 20 -4.251 7.271 -6.154
120 HA SER 20 HA SER 20 -2.740 5.341 -4.816
121 HB2 SER 20 2HB SER 20 -2.208 6.674 -7.459
122 HB3 SER 20 1HB SER 20 -1.622 5.092 -6.931
123 HG SER 20 HG SER 20 -3.656 4.318 -6.932
124 H SER 21 H SER 21 -1.826 8.635 -5.929
125 HA SER 21 HA SER 21 0.873 8.408 -5.142
126 HB2 SER 21 2HB SER 21 -0.788 10.913 -5.517
127 HB3 SER 21 1HB SER 21 0.972 10.803 -5.558
128 HG SER 21 HG SER 21 0.191 9.031 -7.262
129 H LYS 22 H LYS 22 -2.033 9.526 -3.577
130 HA LYS 22 HA LYS 22 -0.822 10.587 -1.251
131 HB2 LYS 22 2HB LYS 22 -3.597 9.460 -1.671
132 HB3 LYS 22 1HB LYS 22 -3.100 10.309 -0.217
133 HG2 LYS 22 2HG LYS 22 -3.080 11.508 -2.990
134 HG3 LYS 22 1HG LYS 22 -4.376 11.725 -1.813
135 HD2 LYS 22 2HD LYS 22 -2.870 12.849 -0.301
136 HD3 LYS 22 1HD LYS 22 -1.493 12.513 -1.342
137 HE2 LYS 22 2HE LYS 22 -3.867 14.229 -2.082
138 HE3 LYS 22 1HE LYS 22 -2.305 14.838 -1.548
139 HZ1 LYS 22 3HZ LYS 22 -2.840 13.303 -4.043
140 HZ2 LYS 22 1HZ LYS 22 -1.314 13.770 -3.529
141 HZ3 LYS 22 2HZ LYS 22 -2.455 14.919 -3.931
142 H CYS 23 H CYS 23 -2.145 7.392 -1.996
143 HA CYS 23 HA CYS 23 -1.578 6.060 0.361
144 HB2 CYS 23 2HB CYS 23 -2.868 4.901 -1.230
145 HB3 CYS 23 1HB CYS 23 -1.735 5.232 -2.525
146 H SER 24 H SER 24 0.537 6.535 -2.487
147 HA SER 24 HA SER 24 2.743 5.137 -1.565
148 HB2 SER 24 2HB SER 24 2.750 7.588 -3.332
149 HB3 SER 24 1HB SER 24 3.996 6.340 -3.240
150 HG SER 24 HG SER 24 1.951 4.949 -3.746
151 H GLN 25 H GLN 25 2.060 8.634 -1.297
152 HA GLN 25 HA GLN 25 4.505 9.165 0.021
153 HB2 GLN 25 2HB GLN 25 2.029 10.877 -0.129
154 HB3 GLN 25 1HB GLN 25 3.610 11.407 0.423
155 HG2 GLN 25 2HG GLN 25 2.882 10.498 -2.353
156 HG3 GLN 25 1HG GLN 25 3.237 12.144 -1.843
157 HE21 GLN 25 1HE2 GLN 25 4.493 10.590 -3.881
158 HE22 GLN 25 2HE2 GLN 25 6.173 10.466 -3.482
159 H GLN 26 H GLN 26 1.169 8.761 1.234
160 HA GLN 26 HA GLN 26 1.739 9.430 3.900
161 HB2 GLN 26 2HB GLN 26 -0.570 9.226 3.008
162 HB3 GLN 26 1HB GLN 26 -0.356 7.486 2.894
163 HG2 GLN 26 2HG GLN 26 -0.031 7.398 5.345
164 HG3 GLN 26 1HG GLN 26 -0.346 9.126 5.425
165 HE21 GLN 26 1HE2 GLN 26 -1.781 6.933 6.673
166 HE22 GLN 26 2HE2 GLN 26 -3.404 7.047 6.094
167 H CYS 27 H CYS 27 1.772 6.313 2.220
168 HA CYS 27 HA CYS 27 2.457 4.741 4.425
169 HB2 CYS 27 2HB CYS 27 1.699 3.612 2.485
170 HB3 CYS 27 1HB CYS 27 2.916 4.381 1.471
171 H LYS 28 H LYS 28 4.489 6.400 2.048
172 HA LYS 28 HA LYS 28 6.929 5.367 3.059
173 HB2 LYS 28 2HB LYS 28 6.576 6.103 0.733
174 HB3 LYS 28 1HB LYS 28 6.422 7.756 1.294
175 HG2 LYS 28 2HG LYS 28 8.728 7.782 1.993
176 HG3 LYS 28 1HG LYS 28 8.899 6.069 1.606
177 HD2 LYS 28 2HD LYS 28 9.852 7.331 -0.205
178 HD3 LYS 28 1HD LYS 28 8.334 6.618 -0.751
179 HE2 LYS 28 2HE LYS 28 8.497 8.886 -1.554
180 HE3 LYS 28 1HE LYS 28 7.204 8.770 -0.371
181 HZ1 LYS 28 3HZ LYS 28 8.622 9.761 1.279
182 HZ2 LYS 28 1HZ LYS 28 8.613 10.741 -0.084
183 HZ3 LYS 28 2HZ LYS 28 9.938 9.752 0.247
184 H ASP 29 H ASP 29 4.967 8.078 3.955
185 HA ASP 29 HA ASP 29 7.161 9.293 5.414
186 HB2 ASP 29 2HB ASP 29 5.588 10.817 4.347
187 HB3 ASP 29 1HB ASP 29 4.261 10.128 5.275
188 H ARG 30 H ARG 30 4.166 7.607 6.189
189 HA ARG 30 HA ARG 30 4.584 7.925 9.020
190 HB2 ARG 30 2HB ARG 30 2.676 6.068 7.583
191 HB3 ARG 30 1HB ARG 30 2.641 6.451 9.299
192 HG2 ARG 30 2HG ARG 30 2.181 8.397 7.043
193 HG3 ARG 30 1HG ARG 30 0.940 7.696 8.076
194 HD2 ARG 30 2HD ARG 30 3.209 9.451 9.040
195 HD3 ARG 30 1HD ARG 30 1.573 10.002 8.712
196 HE ARG 30 HE ARG 30 1.325 7.916 10.470
197 HH11 ARG 30 1HH1 ARG 30 2.878 11.098 10.534
198 HH12 ARG 30 2HH1 ARG 30 2.679 11.306 12.214
199 HH21 ARG 30 1HH2 ARG 30 1.034 8.226 12.769
200 HH22 ARG 30 2HH2 ARG 30 1.638 9.626 13.512
201 H GLU 31 H GLU 31 4.924 5.229 6.751
202 HA GLU 31 HA GLU 31 6.507 3.827 8.779
203 HB2 GLU 31 2HB GLU 31 5.160 2.845 6.248
204 HB3 GLU 31 1HB GLU 31 6.154 1.849 7.293
205 HG2 GLU 31 2HG GLU 31 3.521 3.124 8.002
206 HG3 GLU 31 1HG GLU 31 3.815 1.415 7.684
207 H HIS 32 H HIS 32 8.313 2.478 7.318
208 HA HIS 32 HA HIS 32 9.143 4.481 5.382
209 HB2 HIS 32 2HB HIS 32 10.612 4.555 7.430
210 HB3 HIS 32 1HB HIS 32 11.178 2.941 6.997
211 HD1 HIS 32 1HD HIS 32 13.117 2.848 5.303
212 HD2 HIS 32 2HD HIS 32 11.199 6.541 5.382
213 HE1 HIS 32 1HE HIS 32 14.429 4.336 3.784
214 H PHE 33 H PHE 33 8.247 3.485 3.778
215 HA PHE 33 HA PHE 33 9.723 1.164 2.795
216 HB2 PHE 33 2HB PHE 33 6.828 1.909 2.236
217 HB3 PHE 33 1HB PHE 33 7.697 0.600 1.445
218 HD1 PHE 33 1HD PHE 33 8.536 -1.313 2.885
219 HD2 PHE 33 2HD PHE 33 5.729 1.560 4.269
220 HE1 PHE 33 1HE PHE 33 7.844 -2.854 4.674
221 HE2 PHE 33 2HE PHE 33 5.035 0.022 6.058
222 HZ PHE 33 HZ PHE 33 6.090 -2.186 6.260
223 H ALA 34 H ALA 34 10.925 1.690 1.160
224 HA ALA 34 HA ALA 34 11.104 4.371 0.273
225 HB1 ALA 34 1HB ALA 34 13.011 2.845 0.432
226 HB2 ALA 34 2HB ALA 34 12.862 3.599 -1.155
227 HB3 ALA 34 3HB ALA 34 12.361 1.923 -0.927
228 H TYR 35 H TYR 35 9.629 1.532 -1.018
229 HA TYR 35 HA TYR 35 9.089 2.820 -3.553
230 HB2 TYR 35 2HB TYR 35 8.341 0.044 -2.598
231 HB3 TYR 35 1HB TYR 35 8.262 0.633 -4.259
232 HD1 TYR 35 2HD TYR 35 10.477 1.374 -5.357
233 HD2 TYR 35 1HD TYR 35 10.328 -0.946 -1.791
234 HE1 TYR 35 2HE TYR 35 12.817 0.710 -5.698
235 HE2 TYR 35 1HE TYR 35 12.663 -1.600 -2.113
236 HH TYR 35 HH TYR 35 14.270 -1.810 -4.033
237 H GLY 36 H GLY 36 7.886 3.122 -0.644
238 HA2 GLY 36 2HA GLY 36 5.971 3.863 0.266
239 HA3 GLY 36 1HA GLY 36 5.526 4.367 -1.359
240 H GLY 37 H GLY 37 3.643 3.668 -1.836
241 HA2 GLY 37 2HA GLY 37 3.021 0.891 -1.593
242 HA3 GLY 37 1HA GLY 37 2.008 1.988 -0.642
243 H ALA 38 H ALA 38 0.811 0.561 -2.504
244 HA ALA 38 HA ALA 38 -0.124 2.634 -4.280
245 HB1 ALA 38 1HB ALA 38 1.588 1.544 -5.660
246 HB2 ALA 38 2HB ALA 38 -0.023 1.163 -6.270
247 HB3 ALA 38 3HB ALA 38 0.870 -0.030 -5.325
248 H CYS 39 H CYS 39 -2.227 1.840 -5.305
249 HA CYS 39 HA CYS 39 -3.657 0.497 -3.216
250 HB2 CYS 39 2HB CYS 39 -4.689 1.458 -5.900
251 HB3 CYS 39 1HB CYS 39 -5.646 1.048 -4.490
252 H HIS 40 H HIS 40 -4.408 -1.540 -3.275
253 HA HIS 40 HA HIS 40 -4.085 -3.152 -5.689
254 HB2 HIS 40 2HB HIS 40 -1.972 -3.312 -4.327
255 HB3 HIS 40 1HB HIS 40 -2.927 -3.822 -2.957
256 HD1 HIS 40 1HD HIS 40 -0.926 -5.141 -5.641
257 HD2 HIS 40 2HD HIS 40 -4.224 -6.435 -3.476
258 HE1 HIS 40 1HE HIS 40 -0.990 -7.647 -5.899
259 H TYR 41 H TYR 41 -5.707 -4.745 -5.752
260 HA TYR 41 HA TYR 41 -7.680 -4.486 -3.651
261 HB2 TYR 41 2HB TYR 41 -8.536 -4.364 -5.952
262 HB3 TYR 41 1HB TYR 41 -7.899 -5.977 -6.277
263 HD1 TYR 41 1HD TYR 41 -10.416 -4.098 -4.331
264 HD2 TYR 41 2HD TYR 41 -9.092 -7.956 -5.543
265 HE1 TYR 41 1HE TYR 41 -12.464 -5.079 -3.437
266 HE2 TYR 41 2HE TYR 41 -11.139 -8.942 -4.661
267 HH TYR 41 HH TYR 41 -12.849 -8.463 -3.061
268 H GLN 42 H GLN 42 -7.980 -5.817 -2.168
269 HA GLN 42 HA GLN 42 -7.423 -8.617 -2.515
270 HB2 GLN 42 2HB GLN 42 -5.489 -7.798 -1.251
271 HB3 GLN 42 1HB GLN 42 -6.547 -6.892 -0.180
272 HG2 GLN 42 2HG GLN 42 -7.417 -8.927 0.776
273 HG3 GLN 42 1HG GLN 42 -6.521 -9.898 -0.385
274 HE21 GLN 42 1HE2 GLN 42 -4.085 -8.400 -0.229
275 HE22 GLN 42 2HE2 GLN 42 -3.406 -8.732 1.320
276 H PHE 43 H PHE 43 -8.999 -9.808 -1.361
277 HA PHE 43 HA PHE 43 -11.475 -8.688 -1.233
278 HB2 PHE 43 2HB PHE 43 -11.158 -11.093 -1.308
279 HB3 PHE 43 1HB PHE 43 -10.461 -11.098 0.303
280 HD1 PHE 43 1HD PHE 43 -13.574 -10.657 -1.628
281 HD2 PHE 43 2HD PHE 43 -11.858 -11.111 2.245
282 HE1 PHE 43 1HE PHE 43 -15.809 -11.021 -0.678
283 HE2 PHE 43 2HE PHE 43 -14.091 -11.476 3.192
284 HZ PHE 43 HZ PHE 43 -16.066 -11.430 1.734
285 HA PRO 44 HA PRO 44 -12.996 -7.767 -0.816
286 HB2 PRO 44 2HB PRO 44 -14.953 -6.666 0.526
287 HB3 PRO 44 1HB PRO 44 -14.478 -8.329 0.896
288 HG2 PRO 44 2HG PRO 44 -14.116 -5.888 2.521
289 HG3 PRO 44 1HG PRO 44 -14.090 -7.587 3.024
290 HD2 PRO 44 2HD PRO 44 -11.841 -5.833 2.313
291 HD3 PRO 44 1HD PRO 44 -11.814 -7.410 3.131
292 H SER 45 H SER 45 -10.814 -5.606 -0.297
293 HA SER 45 HA SER 45 -12.328 -3.374 -1.359
294 HB2 SER 45 2HB SER 45 -10.863 -3.187 1.271
295 HB3 SER 45 1HB SER 45 -11.438 -1.795 0.360
296 HG SER 45 HG SER 45 -13.379 -3.640 0.650
297 H VAL 46 H VAL 46 -11.056 -1.760 -2.325
298 HA VAL 46 HA VAL 46 -8.400 -2.595 -3.095
299 HB VAL 46 HB VAL 46 -9.841 0.023 -3.692
300 HG11 VAL 46 1HG1 VAL 46 -7.430 0.161 -3.886
301 HG12 VAL 46 2HG1 VAL 46 -8.186 0.282 -5.477
302 HG13 VAL 46 3HG1 VAL 46 -7.410 -1.225 -4.976
303 HG21 VAL 46 3HG2 VAL 46 -11.059 -1.884 -4.638
304 HG22 VAL 46 1HG2 VAL 46 -9.572 -2.431 -5.417
305 HG23 VAL 46 2HG2 VAL 46 -10.309 -0.905 -5.904
306 H LYS 47 H LYS 47 -6.903 -2.316 -1.632
307 HA LYS 47 HA LYS 47 -7.180 -0.066 0.230
308 HB2 LYS 47 2HB LYS 47 -7.578 -2.294 1.229
309 HB3 LYS 47 1HB LYS 47 -6.008 -2.824 0.683
310 HG2 LYS 47 2HG LYS 47 -4.979 -1.136 2.190
311 HG3 LYS 47 1HG LYS 47 -6.597 -0.767 2.803
312 HD2 LYS 47 2HD LYS 47 -6.885 -3.060 3.518
313 HD3 LYS 47 1HD LYS 47 -5.331 -3.502 2.817
314 HE2 LYS 47 2HE LYS 47 -5.054 -3.278 5.167
315 HE3 LYS 47 1HE LYS 47 -4.241 -1.936 4.389
316 HZ1 LYS 47 3HZ LYS 47 -5.552 -1.363 6.388
317 HZ2 LYS 47 1HZ LYS 47 -6.960 -1.719 5.584
318 HZ3 LYS 47 2HZ LYS 47 -5.969 -0.439 5.074
319 H CYS 48 H CYS 48 -4.993 0.544 1.155
320 HA CYS 48 HA CYS 48 -3.106 0.898 -1.002
321 HB2 CYS 48 2HB CYS 48 -3.688 2.813 0.450
322 HB3 CYS 48 1HB CYS 48 -3.191 1.901 1.860
323 H PHE 49 H PHE 49 -1.324 -0.299 -1.174
324 HA PHE 49 HA PHE 49 -0.573 -1.953 1.103
325 HB2 PHE 49 2HB PHE 49 -0.710 -2.748 -1.799
326 HB3 PHE 49 1HB PHE 49 0.262 -3.597 -0.612
327 HD1 PHE 49 1HD PHE 49 -3.243 -2.567 -1.314
328 HD2 PHE 49 2HD PHE 49 -0.655 -5.266 0.680
329 HE1 PHE 49 1HE PHE 49 -5.168 -3.951 -0.703
330 HE2 PHE 49 2HE PHE 49 -2.579 -6.648 1.311
331 HZ PHE 49 HZ PHE 49 -4.837 -5.993 0.630
332 H CYS 50 H CYS 50 1.212 -1.374 1.813
333 HA CYS 50 HA CYS 50 3.140 0.177 0.418
334 HB2 CYS 50 2HB CYS 50 3.236 -1.277 3.059
335 HB3 CYS 50 1HB CYS 50 4.511 -0.222 2.466
336 H LYS 51 H LYS 51 4.922 -0.488 -0.597
337 HA LYS 51 HA LYS 51 5.167 -3.367 -0.949
338 HB2 LYS 51 2HB LYS 51 5.980 -1.062 -2.694
339 HB3 LYS 51 1HB LYS 51 6.599 -2.681 -2.951
340 HG2 LYS 51 2HG LYS 51 4.414 -3.563 -3.340
341 HG3 LYS 51 1HG LYS 51 3.661 -2.042 -2.864
342 HD2 LYS 51 2HD LYS 51 4.498 -0.933 -4.796
343 HD3 LYS 51 1HD LYS 51 5.548 -2.292 -5.195
344 HE2 LYS 51 2HE LYS 51 3.482 -2.125 -6.604
345 HE3 LYS 51 1HE LYS 51 3.684 -3.664 -5.778
346 HZ1 LYS 51 3HZ LYS 51 1.930 -1.488 -4.728
347 HZ2 LYS 51 1HZ LYS 51 2.021 -3.101 -4.220
348 HZ3 LYS 51 2HZ LYS 51 1.397 -2.749 -5.719
349 H ARG 52 H ARG 52 6.456 -4.229 0.378
350 HA ARG 52 HA ARG 52 8.817 -2.811 1.304
351 HB2 ARG 52 2HB ARG 52 9.093 -4.596 2.924
352 HB3 ARG 52 1HB ARG 52 7.424 -4.047 2.953
353 HG2 ARG 52 2HG ARG 52 6.749 -5.963 1.634
354 HG3 ARG 52 1HG ARG 52 8.421 -6.513 1.542
355 HD2 ARG 52 2HD ARG 52 6.753 -6.252 4.048
356 HD3 ARG 52 1HD ARG 52 7.173 -7.752 3.227
357 HE ARG 52 HE ARG 52 9.438 -6.181 4.022
358 HH11 ARG 52 1HH1 ARG 52 7.182 -8.705 5.055
359 HH12 ARG 52 2HH1 ARG 52 8.192 -9.283 6.298
360 HH21 ARG 52 1HH2 ARG 52 10.797 -6.966 5.669
361 HH22 ARG 52 2HH2 ARG 52 10.332 -8.247 6.684
362 H GLN 53 H GLN 53 10.879 -3.640 1.115
363 HA GLN 53 HA GLN 53 11.331 -4.957 -1.390
364 HB2 GLN 53 2HB GLN 53 12.678 -3.019 -0.571
365 HB3 GLN 53 1HB GLN 53 13.319 -4.053 0.692
366 HG2 GLN 53 2HG GLN 53 14.245 -5.548 -1.056
367 HG3 GLN 53 1HG GLN 53 13.652 -4.403 -2.259
368 HE21 GLN 53 1HE2 GLN 53 14.338 -2.037 -0.638
369 HE22 GLN 53 2HE2 GLN 53 16.043 -1.924 -0.736
370 H CYS 54 H CYS 54 11.236 -7.119 -1.512
371 HA CYS 54 HA CYS 54 12.236 -8.675 0.745
372 HB2 CYS 54 2HB CYS 54 10.289 -9.458 -1.449
373 HB3 CYS 54 1HB CYS 54 10.831 -10.500 -0.142
Start of MODEL 14
1 H1 ASP 1 1HT ASP 1 10.120 -3.704 -11.634
2 H2 ASP 1 2HT ASP 1 9.238 -2.560 -10.806
3 H3 ASP 1 3HT ASP 1 9.557 -4.086 -10.130
4 HA ASP 1 HA ASP 1 11.654 -2.142 -10.817
5 HB2 ASP 1 2HB ASP 1 10.433 -2.839 -8.135
6 HB3 ASP 1 1HB ASP 1 12.043 -2.153 -8.271
7 H GLY 2 H GLY 2 13.744 -2.840 -10.366
8 HA2 GLY 2 2HA GLY 2 14.227 -5.578 -10.869
9 HA3 GLY 2 1HA GLY 2 15.432 -4.379 -10.425
10 H VAL 3 H VAL 3 14.171 -3.680 -7.967
11 HA VAL 3 HA VAL 3 15.111 -5.814 -6.302
12 HB VAL 3 HB VAL 3 13.673 -3.217 -5.620
13 HG11 VAL 3 1HG1 VAL 3 15.001 -5.174 -3.741
14 HG12 VAL 3 2HG1 VAL 3 13.257 -4.936 -3.903
15 HG13 VAL 3 3HG1 VAL 3 14.283 -3.616 -3.327
16 HG21 VAL 3 3HG2 VAL 3 15.843 -2.538 -4.770
17 HG22 VAL 3 1HG2 VAL 3 15.925 -2.918 -6.499
18 HG23 VAL 3 2HG2 VAL 3 16.522 -4.075 -5.296
19 H LYS 4 H LYS 4 13.931 -7.405 -5.411
20 HA LYS 4 HA LYS 4 11.238 -7.764 -6.320
21 HB2 LYS 4 2HB LYS 4 12.888 -9.424 -4.402
22 HB3 LYS 4 1HB LYS 4 11.349 -9.901 -5.100
23 HG2 LYS 4 2HG LYS 4 13.917 -9.434 -6.604
24 HG3 LYS 4 1HG LYS 4 13.185 -11.000 -6.247
25 HD2 LYS 4 2HD LYS 4 11.218 -10.353 -7.572
26 HD3 LYS 4 1HD LYS 4 11.992 -8.813 -7.946
27 HE2 LYS 4 2HE LYS 4 13.823 -10.014 -9.058
28 HE3 LYS 4 1HE LYS 4 13.024 -11.544 -8.701
29 HZ1 LYS 4 3HZ LYS 4 12.614 -10.760 -10.973
30 HZ2 LYS 4 1HZ LYS 4 11.868 -9.378 -10.379
31 HZ3 LYS 4 2HZ LYS 4 11.173 -10.884 -10.120
32 H LEU 5 H LEU 5 9.489 -7.124 -5.289
33 HA LEU 5 HA LEU 5 9.807 -6.294 -2.491
34 HB2 LEU 5 2HB LEU 5 7.913 -5.118 -4.515
35 HB3 LEU 5 1HB LEU 5 8.228 -4.583 -2.863
36 HG LEU 5 HG LEU 5 10.264 -4.487 -5.072
37 HD11 LEU 5 1HD1 LEU 5 8.539 -2.276 -3.960
38 HD12 LEU 5 2HD1 LEU 5 8.415 -2.981 -5.573
39 HD13 LEU 5 3HD1 LEU 5 9.857 -2.074 -5.115
40 HD21 LEU 5 3HD2 LEU 5 10.210 -3.310 -2.299
41 HD22 LEU 5 1HD2 LEU 5 11.450 -2.999 -3.518
42 HD23 LEU 5 2HD2 LEU 5 11.234 -4.626 -2.880
43 H CYS 6 H CYS 6 8.090 -6.661 -1.155
44 HA CYS 6 HA CYS 6 6.095 -8.596 -2.157
45 HB2 CYS 6 2HB CYS 6 7.120 -8.344 0.677
46 HB3 CYS 6 1HB CYS 6 6.070 -9.601 0.035
47 H ASP 7 H ASP 7 3.939 -8.301 -1.446
48 HA ASP 7 HA ASP 7 3.332 -5.510 -0.859
49 HB2 ASP 7 2HB ASP 7 1.399 -7.764 -1.444
50 HB3 ASP 7 1HB ASP 7 1.055 -6.045 -1.483
51 H VAL 8 H VAL 8 2.686 -4.827 1.078
52 HA VAL 8 HA VAL 8 1.506 -6.764 2.924
53 HB VAL 8 HB VAL 8 2.543 -5.633 4.860
54 HG11 VAL 8 1HG1 VAL 8 4.855 -6.387 4.572
55 HG12 VAL 8 2HG1 VAL 8 4.565 -6.538 2.837
56 HG13 VAL 8 3HG1 VAL 8 3.675 -7.556 3.973
57 HG21 VAL 8 3HG2 VAL 8 4.397 -4.037 4.571
58 HG22 VAL 8 1HG2 VAL 8 2.866 -3.403 3.965
59 HG23 VAL 8 2HG2 VAL 8 4.079 -4.005 2.834
60 HA PRO 9 HA PRO 9 -1.800 -3.753 2.854
61 HB2 PRO 9 2HB PRO 9 -2.698 -4.881 5.416
62 HB3 PRO 9 1HB PRO 9 -3.529 -4.867 3.861
63 HG2 PRO 9 2HG PRO 9 -2.508 -7.124 4.934
64 HG3 PRO 9 1HG PRO 9 -2.586 -6.848 3.187
65 HD2 PRO 9 2HD PRO 9 -0.243 -6.652 5.033
66 HD3 PRO 9 1HD PRO 9 -0.338 -7.242 3.359
67 H SER 10 H SER 10 -1.543 -1.675 3.474
68 HA SER 10 HA SER 10 -0.142 -1.077 5.913
69 HB2 SER 10 2HB SER 10 0.161 0.208 3.725
70 HB3 SER 10 1HB SER 10 -1.455 0.864 3.990
71 HG SER 10 HG SER 10 0.897 1.241 5.447
72 H GLY 11 H GLY 11 -1.184 -1.025 7.755
73 HA2 GLY 11 2HA GLY 11 -4.034 -1.141 7.860
74 HA3 GLY 11 1HA GLY 11 -2.939 -1.184 9.230
75 H THR 12 H THR 12 -1.777 1.466 8.050
76 HA THR 12 HA THR 12 -3.712 3.047 9.469
77 HB THR 12 HB THR 12 -1.744 4.760 9.408
78 HG1 THR 12 1HG THR 12 0.212 3.086 9.521
79 HG21 THR 12 3HG2 THR 12 -2.567 3.624 11.419
80 HG22 THR 12 1HG2 THR 12 -0.805 3.705 11.427
81 HG23 THR 12 2HG2 THR 12 -1.616 2.196 11.009
82 H TRP 13 H TRP 13 -3.843 2.228 6.606
83 HA TRP 13 HA TRP 13 -4.067 4.814 5.276
84 HB2 TRP 13 2HB TRP 13 -3.081 2.959 3.995
85 HB3 TRP 13 1HB TRP 13 -4.508 1.974 4.295
86 HD1 TRP 13 HD TRP 13 -6.627 2.406 2.789
87 HE1 TRP 13 1HE TRP 13 -7.015 3.778 0.657
88 HE3 TRP 13 3HE TRP 13 -2.318 5.129 2.784
89 HZ2 TRP 13 2HZ TRP 13 -5.655 5.736 -0.842
90 HZ3 TRP 13 3HZ TRP 13 -1.946 6.730 0.952
91 HH2 TRP 13 HH TRP 13 -3.590 7.015 -0.819
92 H SER 14 H SER 14 -6.094 5.676 4.756
93 HA SER 14 HA SER 14 -8.255 4.607 6.350
94 HB2 SER 14 2HB SER 14 -7.626 7.010 6.527
95 HB3 SER 14 1HB SER 14 -8.078 7.222 4.845
96 HG SER 14 HG SER 14 -10.136 7.137 5.352
97 H GLY 15 H GLY 15 -9.168 2.956 5.297
98 HA2 GLY 15 2HA GLY 15 -10.723 1.949 4.001
99 HA3 GLY 15 1HA GLY 15 -11.179 3.542 3.439
100 H HIS 16 H HIS 16 -11.173 3.674 1.392
101 HA HIS 16 HA HIS 16 -10.048 1.677 -0.300
102 HB2 HIS 16 2HB HIS 16 -12.262 2.550 -0.741
103 HB3 HIS 16 1HB HIS 16 -11.635 4.181 -0.886
104 HD1 HIS 16 1HD HIS 16 -11.848 0.913 -2.790
105 HD2 HIS 16 2HD HIS 16 -10.665 4.852 -3.375
106 HE1 HIS 16 1HE HIS 16 -11.472 1.168 -5.264
107 H CYS 17 H CYS 17 -8.379 1.780 -1.550
108 HA CYS 17 HA CYS 17 -6.691 4.168 -1.579
109 HB2 CYS 17 2HB CYS 17 -5.754 1.890 -0.964
110 HB3 CYS 17 1HB CYS 17 -6.115 1.374 -2.601
111 H GLY 18 H GLY 18 -7.223 5.512 -3.263
112 HA2 GLY 18 2HA GLY 18 -8.160 4.233 -5.747
113 HA3 GLY 18 1HA GLY 18 -8.662 5.822 -5.197
114 H SER 19 H SER 19 -5.442 5.438 -4.555
115 HA SER 19 HA SER 19 -4.448 6.163 -7.166
116 HB2 SER 19 2HB SER 19 -4.230 8.070 -4.826
117 HB3 SER 19 1HB SER 19 -3.520 8.315 -6.415
118 HG SER 19 HG SER 19 -6.114 7.820 -6.696
119 H SER 20 H SER 20 -2.771 4.766 -7.243
120 HA SER 20 HA SER 20 -1.574 3.627 -4.998
121 HB2 SER 20 2HB SER 20 -0.602 3.705 -7.855
122 HB3 SER 20 1HB SER 20 0.025 2.632 -6.604
123 HG SER 20 HG SER 20 -2.384 2.593 -7.975
124 H SER 21 H SER 21 -0.717 6.491 -6.809
125 HA SER 21 HA SER 21 1.863 6.684 -5.659
126 HB2 SER 21 2HB SER 21 0.197 8.792 -7.039
127 HB3 SER 21 1HB SER 21 1.935 8.884 -6.726
128 HG SER 21 HG SER 21 0.941 7.973 -8.859
129 H LYS 22 H LYS 22 -1.345 7.786 -4.722
130 HA LYS 22 HA LYS 22 -0.415 9.463 -2.587
131 HB2 LYS 22 2HB LYS 22 -3.076 8.042 -2.916
132 HB3 LYS 22 1HB LYS 22 -2.715 9.146 -1.609
133 HG2 LYS 22 2HG LYS 22 -2.438 10.960 -3.283
134 HG3 LYS 22 1HG LYS 22 -2.939 9.823 -4.542
135 HD2 LYS 22 2HD LYS 22 -5.061 9.447 -3.331
136 HD3 LYS 22 1HD LYS 22 -4.563 10.616 -2.115
137 HE2 LYS 22 2HE LYS 22 -6.118 11.645 -3.646
138 HE3 LYS 22 1HE LYS 22 -4.525 12.356 -3.873
139 HZ1 LYS 22 3HZ LYS 22 -5.740 11.843 -5.933
140 HZ2 LYS 22 1HZ LYS 22 -5.649 10.207 -5.603
141 HZ3 LYS 22 2HZ LYS 22 -4.238 11.091 -5.876
142 H CYS 23 H CYS 23 -1.329 6.129 -2.985
143 HA CYS 23 HA CYS 23 -1.118 5.177 -0.390
144 HB2 CYS 23 2HB CYS 23 -2.059 3.811 -2.139
145 HB3 CYS 23 1HB CYS 23 -0.565 3.866 -3.053
146 H SER 24 H SER 24 1.426 5.245 -2.936
147 HA SER 24 HA SER 24 3.418 4.294 -1.273
148 HB2 SER 24 2HB SER 24 4.957 5.417 -3.011
149 HB3 SER 24 1HB SER 24 3.875 4.136 -3.554
150 HG SER 24 HG SER 24 3.455 5.605 -4.960
151 H GLN 25 H GLN 25 2.552 7.632 -2.047
152 HA GLN 25 HA GLN 25 4.616 8.891 -0.668
153 HB2 GLN 25 2HB GLN 25 3.014 10.001 -2.270
154 HB3 GLN 25 1HB GLN 25 1.772 9.903 -1.045
155 HG2 GLN 25 2HG GLN 25 4.340 11.409 -0.604
156 HG3 GLN 25 1HG GLN 25 2.948 12.140 -1.387
157 HE21 GLN 25 1HE2 GLN 25 0.972 10.885 0.262
158 HE22 GLN 25 2HE2 GLN 25 1.094 11.565 1.838
159 H GLN 26 H GLN 26 1.359 8.003 0.481
160 HA GLN 26 HA GLN 26 1.782 9.049 3.074
161 HB2 GLN 26 2HB GLN 26 -0.457 8.767 2.146
162 HB3 GLN 26 1HB GLN 26 -0.246 7.025 2.150
163 HG2 GLN 26 2HG GLN 26 -0.163 6.980 4.561
164 HG3 GLN 26 1HG GLN 26 -0.215 8.739 4.631
165 HE21 GLN 26 1HE2 GLN 26 -2.035 6.696 5.762
166 HE22 GLN 26 2HE2 GLN 26 -3.585 7.071 5.143
167 H CYS 27 H CYS 27 2.027 5.804 1.735
168 HA CYS 27 HA CYS 27 2.506 4.381 4.065
169 HB2 CYS 27 2HB CYS 27 2.134 3.299 1.930
170 HB3 CYS 27 1HB CYS 27 3.612 3.990 1.280
171 H LYS 28 H LYS 28 4.818 6.069 1.967
172 HA LYS 28 HA LYS 28 7.211 5.462 3.319
173 HB2 LYS 28 2HB LYS 28 6.468 7.857 1.628
174 HB3 LYS 28 1HB LYS 28 8.093 7.460 2.155
175 HG2 LYS 28 2HG LYS 28 8.147 5.518 0.790
176 HG3 LYS 28 1HG LYS 28 6.423 5.632 0.466
177 HD2 LYS 28 2HD LYS 28 7.548 6.400 -1.496
178 HD3 LYS 28 1HD LYS 28 6.854 7.805 -0.711
179 HE2 LYS 28 2HE LYS 28 9.768 6.967 -0.568
180 HE3 LYS 28 1HE LYS 28 9.100 8.199 -1.631
181 HZ1 LYS 28 3HZ LYS 28 9.318 8.334 1.340
182 HZ2 LYS 28 1HZ LYS 28 8.460 9.454 0.420
183 HZ3 LYS 28 2HZ LYS 28 10.099 9.268 0.215
184 H ASP 29 H ASP 29 5.008 8.226 3.470
185 HA ASP 29 HA ASP 29 6.471 9.711 5.393
186 HB2 ASP 29 2HB ASP 29 4.773 10.690 3.848
187 HB3 ASP 29 1HB ASP 29 3.514 9.852 4.741
188 H ARG 30 H ARG 30 3.959 7.330 5.595
189 HA ARG 30 HA ARG 30 3.357 7.660 8.317
190 HB2 ARG 30 2HB ARG 30 2.651 5.584 6.312
191 HB3 ARG 30 1HB ARG 30 2.387 5.256 8.013
192 HG2 ARG 30 2HG ARG 30 1.247 7.603 6.509
193 HG3 ARG 30 1HG ARG 30 0.385 6.103 6.862
194 HD2 ARG 30 2HD ARG 30 1.444 8.116 8.851
195 HD3 ARG 30 1HD ARG 30 -0.236 7.730 8.504
196 HE ARG 30 HE ARG 30 1.031 5.374 9.299
197 HH11 ARG 30 1HH1 ARG 30 -0.150 8.390 10.693
198 HH12 ARG 30 2HH1 ARG 30 -0.113 7.813 12.284
199 HH21 ARG 30 1HH2 ARG 30 1.061 4.585 11.456
200 HH22 ARG 30 2HH2 ARG 30 0.602 5.607 12.745
201 H GLU 31 H GLU 31 4.778 4.632 6.956
202 HA GLU 31 HA GLU 31 6.546 4.415 9.224
203 HB2 GLU 31 2HB GLU 31 5.309 2.785 10.535
204 HB3 GLU 31 1HB GLU 31 4.470 4.329 10.448
205 HG2 GLU 31 2HG GLU 31 3.014 3.361 8.661
206 HG3 GLU 31 1HG GLU 31 3.798 1.811 8.932
207 H HIS 32 H HIS 32 6.235 3.565 6.270
208 HA HIS 32 HA HIS 32 6.954 0.833 6.882
209 HB2 HIS 32 2HB HIS 32 5.271 1.676 4.570
210 HB3 HIS 32 1HB HIS 32 6.160 0.164 4.561
211 HD1 HIS 32 1HD HIS 32 5.335 -1.697 6.268
212 HD2 HIS 32 2HD HIS 32 2.991 1.734 6.091
213 HE1 HIS 32 1HE HIS 32 3.153 -2.316 7.297
214 H PHE 33 H PHE 33 7.246 2.190 3.623
215 HA PHE 33 HA PHE 33 10.136 1.740 3.857
216 HB2 PHE 33 2HB PHE 33 8.580 0.440 1.618
217 HB3 PHE 33 1HB PHE 33 10.208 0.086 2.171
218 HD1 PHE 33 1HD PHE 33 10.439 -1.028 4.484
219 HD2 PHE 33 2HD PHE 33 6.785 -0.817 2.336
220 HE1 PHE 33 1HE PHE 33 9.518 -2.847 5.873
221 HE2 PHE 33 2HE PHE 33 5.855 -2.627 3.718
222 HZ PHE 33 HZ PHE 33 7.225 -3.640 5.493
223 H ALA 34 H ALA 34 11.267 2.626 2.051
224 HA ALA 34 HA ALA 34 10.183 5.034 1.031
225 HB1 ALA 34 1HB ALA 34 12.570 4.751 1.514
226 HB2 ALA 34 2HB ALA 34 12.299 5.243 -0.160
227 HB3 ALA 34 3HB ALA 34 12.673 3.561 0.216
228 H TYR 35 H TYR 35 10.013 1.840 -0.015
229 HA TYR 35 HA TYR 35 9.703 2.334 -2.816
230 HB2 TYR 35 2HB TYR 35 8.968 -0.068 -1.126
231 HB3 TYR 35 1HB TYR 35 8.802 -0.011 -2.876
232 HD1 TYR 35 1HD TYR 35 10.764 0.075 -4.280
233 HD2 TYR 35 2HD TYR 35 11.121 -0.358 -0.095
234 HE1 TYR 35 1HE TYR 35 13.119 -0.613 -4.566
235 HE2 TYR 35 2HE TYR 35 13.454 -1.048 -0.337
236 HH TYR 35 HH TYR 35 14.968 -1.902 -1.933
237 H GLY 36 H GLY 36 7.709 2.685 -0.073
238 HA2 GLY 36 2HA GLY 36 5.612 3.540 0.089
239 HA3 GLY 36 1HA GLY 36 5.596 3.716 -1.662
240 H GLY 37 H GLY 37 3.794 2.734 -2.408
241 HA2 GLY 37 2HA GLY 37 3.385 -0.016 -2.019
242 HA3 GLY 37 1HA GLY 37 2.264 0.971 -1.092
243 H ALA 38 H ALA 38 1.013 -0.434 -2.776
244 HA ALA 38 HA ALA 38 0.189 1.456 -4.827
245 HB1 ALA 38 1HB ALA 38 1.687 -0.106 -5.956
246 HB2 ALA 38 2HB ALA 38 0.023 -0.334 -6.502
247 HB3 ALA 38 3HB ALA 38 0.742 -1.467 -5.353
248 H CYS 39 H CYS 39 -2.031 0.904 -5.627
249 HA CYS 39 HA CYS 39 -3.633 0.073 -3.374
250 HB2 CYS 39 2HB CYS 39 -4.468 1.018 -6.118
251 HB3 CYS 39 1HB CYS 39 -5.535 0.791 -4.742
252 H HIS 40 H HIS 40 -4.085 -1.995 -3.073
253 HA HIS 40 HA HIS 40 -4.525 -3.695 -5.425
254 HB2 HIS 40 2HB HIS 40 -2.421 -4.270 -4.235
255 HB3 HIS 40 1HB HIS 40 -3.316 -4.445 -2.738
256 HD1 HIS 40 1HD HIS 40 -2.623 -6.192 -5.987
257 HD2 HIS 40 2HD HIS 40 -4.610 -6.859 -2.405
258 HE1 HIS 40 1HE HIS 40 -3.157 -8.654 -5.939
259 H TYR 41 H TYR 41 -6.371 -4.989 -5.346
260 HA TYR 41 HA TYR 41 -8.412 -3.925 -3.665
261 HB2 TYR 41 2HB TYR 41 -8.689 -4.717 -6.099
262 HB3 TYR 41 1HB TYR 41 -8.804 -6.347 -5.429
263 HD1 TYR 41 1HD TYR 41 -10.548 -6.012 -3.069
264 HD2 TYR 41 2HD TYR 41 -10.771 -4.054 -6.839
265 HE1 TYR 41 1HE TYR 41 -12.900 -5.611 -2.706
266 HE2 TYR 41 2HE TYR 41 -13.147 -3.636 -6.476
267 HH TYR 41 HH TYR 41 -14.601 -4.013 -3.435
268 H GLN 42 H GLN 42 -8.700 -4.505 -1.692
269 HA GLN 42 HA GLN 42 -8.217 -7.266 -0.855
270 HB2 GLN 42 2HB GLN 42 -6.906 -5.555 0.355
271 HB3 GLN 42 1HB GLN 42 -8.381 -4.674 0.716
272 HG2 GLN 42 2HG GLN 42 -9.169 -6.564 2.043
273 HG3 GLN 42 1HG GLN 42 -7.671 -7.423 1.714
274 HE21 GLN 42 1HE2 GLN 42 -7.127 -7.505 3.865
275 HE22 GLN 42 2HE2 GLN 42 -6.620 -6.108 4.757
276 H PHE 43 H PHE 43 -9.985 -8.166 0.404
277 HA PHE 43 HA PHE 43 -12.479 -6.980 -0.368
278 HB2 PHE 43 2HB PHE 43 -12.131 -9.442 -0.605
279 HB3 PHE 43 1HB PHE 43 -11.973 -9.565 1.141
280 HD1 PHE 43 1HD PHE 43 -14.343 -8.406 -1.480
281 HD2 PHE 43 2HD PHE 43 -13.832 -10.060 2.392
282 HE1 PHE 43 1HE PHE 43 -16.773 -8.725 -1.303
283 HE2 PHE 43 2HE PHE 43 -16.261 -10.381 2.581
284 HZ PHE 43 HZ PHE 43 -17.732 -9.710 0.728
285 HA PRO 44 HA PRO 44 -14.309 -6.471 0.085
286 HB2 PRO 44 2HB PRO 44 -16.055 -4.673 0.923
287 HB3 PRO 44 1HB PRO 44 -16.025 -6.304 1.599
288 HG2 PRO 44 2HG PRO 44 -15.073 -3.752 2.795
289 HG3 PRO 44 1HG PRO 44 -15.764 -5.175 3.588
290 HD2 PRO 44 2HD PRO 44 -13.008 -4.522 3.334
291 HD3 PRO 44 1HD PRO 44 -13.698 -6.035 3.953
292 H SER 45 H SER 45 -12.193 -4.006 1.240
293 HA SER 45 HA SER 45 -12.762 -2.529 -1.187
294 HB2 SER 45 2HB SER 45 -12.306 -0.371 0.090
295 HB3 SER 45 1HB SER 45 -13.825 -1.190 0.445
296 HG SER 45 HG SER 45 -12.732 -0.495 2.309
297 H VAL 46 H VAL 46 -11.141 -1.579 -2.269
298 HA VAL 46 HA VAL 46 -8.588 -2.673 -2.327
299 HB VAL 46 HB VAL 46 -9.327 0.119 -3.254
300 HG11 VAL 46 1HG1 VAL 46 -7.189 -1.752 -4.245
301 HG12 VAL 46 2HG1 VAL 46 -6.929 -0.338 -3.236
302 HG13 VAL 46 3HG1 VAL 46 -7.545 -0.144 -4.882
303 HG21 VAL 46 3HG2 VAL 46 -9.523 -2.470 -4.767
304 HG22 VAL 46 1HG2 VAL 46 -9.825 -0.865 -5.418
305 HG23 VAL 46 2HG2 VAL 46 -10.886 -1.522 -4.168
306 H LYS 47 H LYS 47 -6.785 -2.381 -1.221
307 HA LYS 47 HA LYS 47 -6.759 -0.196 0.746
308 HB2 LYS 47 2HB LYS 47 -7.187 -2.532 1.645
309 HB3 LYS 47 1HB LYS 47 -5.600 -2.964 1.063
310 HG2 LYS 47 2HG LYS 47 -5.507 -2.566 3.432
311 HG3 LYS 47 1HG LYS 47 -4.594 -1.316 2.592
312 HD2 LYS 47 2HD LYS 47 -5.947 -0.386 4.425
313 HD3 LYS 47 1HD LYS 47 -6.451 0.246 2.861
314 HE2 LYS 47 2HE LYS 47 -8.371 -0.302 4.286
315 HE3 LYS 47 1HE LYS 47 -8.354 -1.288 2.832
316 HZ1 LYS 47 3HZ LYS 47 -8.905 -2.561 4.803
317 HZ2 LYS 47 1HZ LYS 47 -7.443 -2.195 5.533
318 HZ3 LYS 47 2HZ LYS 47 -7.492 -3.152 4.141
319 H CYS 48 H CYS 48 -4.595 0.474 1.330
320 HA CYS 48 HA CYS 48 -2.777 0.605 -0.880
321 HB2 CYS 48 2HB CYS 48 -3.185 2.535 0.585
322 HB3 CYS 48 1HB CYS 48 -2.653 1.612 1.973
323 H PHE 49 H PHE 49 -1.413 -1.026 -1.257
324 HA PHE 49 HA PHE 49 -0.477 -2.602 1.014
325 HB2 PHE 49 2HB PHE 49 -0.821 -3.308 -1.895
326 HB3 PHE 49 1HB PHE 49 0.249 -4.223 -0.849
327 HD1 PHE 49 2HD PHE 49 -3.297 -3.016 -0.953
328 HD2 PHE 49 1HD PHE 49 -0.580 -6.064 0.224
329 HE1 PHE 49 2HE PHE 49 -5.181 -4.417 -0.230
330 HE2 PHE 49 1HE PHE 49 -2.459 -7.461 0.957
331 HZ PHE 49 HZ PHE 49 -4.763 -6.644 0.735
332 H CYS 50 H CYS 50 1.354 -2.003 1.680
333 HA CYS 50 HA CYS 50 3.152 -0.418 0.132
334 HB2 CYS 50 2HB CYS 50 3.340 -1.576 2.906
335 HB3 CYS 50 1HB CYS 50 4.571 -0.546 2.182
336 H LYS 51 H LYS 51 5.266 -0.968 -0.393
337 HA LYS 51 HA LYS 51 5.504 -3.840 -0.881
338 HB2 LYS 51 2HB LYS 51 6.781 -1.605 -2.462
339 HB3 LYS 51 1HB LYS 51 6.736 -3.294 -2.906
340 HG2 LYS 51 2HG LYS 51 4.149 -3.031 -2.824
341 HG3 LYS 51 1HG LYS 51 4.497 -1.310 -2.882
342 HD2 LYS 51 2HD LYS 51 4.047 -2.036 -5.105
343 HD3 LYS 51 1HD LYS 51 5.783 -1.732 -4.989
344 HE2 LYS 51 2HE LYS 51 6.254 -4.051 -4.800
345 HE3 LYS 51 1HE LYS 51 4.547 -4.445 -4.618
346 HZ1 LYS 51 3HZ LYS 51 4.177 -3.760 -6.873
347 HZ2 LYS 51 1HZ LYS 51 5.375 -4.934 -6.810
348 HZ3 LYS 51 2HZ LYS 51 5.800 -3.321 -7.065
349 H ARG 52 H ARG 52 6.812 -4.733 0.465
350 HA ARG 52 HA ARG 52 8.993 -3.205 1.626
351 HB2 ARG 52 2HB ARG 52 9.386 -5.111 3.104
352 HB3 ARG 52 1HB ARG 52 7.698 -4.634 3.150
353 HG2 ARG 52 2HG ARG 52 7.079 -6.499 1.785
354 HG3 ARG 52 1HG ARG 52 8.772 -6.923 1.523
355 HD2 ARG 52 2HD ARG 52 7.290 -6.977 4.149
356 HD3 ARG 52 1HD ARG 52 7.766 -8.377 3.198
357 HE ARG 52 HE ARG 52 9.637 -6.538 4.551
358 HH11 ARG 52 1HH1 ARG 52 8.926 -9.775 3.254
359 HH12 ARG 52 2HH1 ARG 52 10.364 -10.460 3.851
360 HH21 ARG 52 1HH2 ARG 52 11.562 -7.499 5.365
361 HH22 ARG 52 2HH2 ARG 52 11.911 -9.146 5.090
362 H GLN 53 H GLN 53 11.142 -3.943 1.622
363 HA GLN 53 HA GLN 53 11.931 -4.895 -0.967
364 HB2 GLN 53 2HB GLN 53 13.088 -3.088 0.375
365 HB3 GLN 53 1HB GLN 53 13.651 -4.361 1.450
366 HG2 GLN 53 2HG GLN 53 14.756 -5.437 -0.484
367 HG3 GLN 53 1HG GLN 53 14.214 -4.060 -1.452
368 HE21 GLN 53 1HE2 GLN 53 16.423 -5.125 0.975
369 HE22 GLN 53 2HE2 GLN 53 17.390 -3.697 0.986
370 H CYS 54 H CYS 54 12.353 -6.999 -1.424
371 HA CYS 54 HA CYS 54 12.828 -8.768 0.847
372 HB2 CYS 54 2HB CYS 54 11.142 -9.334 -1.608
373 HB3 CYS 54 1HB CYS 54 11.553 -10.514 -0.369
Start of MODEL 15
1 H1 ASP 1 1HT ASP 1 16.712 -3.973 -8.700
2 H2 ASP 1 2HT ASP 1 17.345 -2.939 -9.844
3 H3 ASP 1 3HT ASP 1 17.260 -4.591 -10.161
4 HA ASP 1 HA ASP 1 14.965 -2.739 -9.798
5 HB2 ASP 1 2HB ASP 1 15.869 -4.224 -12.272
6 HB3 ASP 1 1HB ASP 1 14.423 -3.233 -12.141
7 H GLY 2 H GLY 2 16.008 -6.055 -10.537
8 HA2 GLY 2 2HA GLY 2 13.366 -7.103 -10.410
9 HA3 GLY 2 1HA GLY 2 14.869 -8.017 -10.508
10 H VAL 3 H VAL 3 12.777 -6.256 -8.391
11 HA VAL 3 HA VAL 3 13.812 -7.780 -6.099
12 HB VAL 3 HB VAL 3 12.489 -5.053 -6.075
13 HG11 VAL 3 1HG1 VAL 3 12.147 -6.347 -4.030
14 HG12 VAL 3 2HG1 VAL 3 13.182 -4.945 -3.758
15 HG13 VAL 3 3HG1 VAL 3 13.894 -6.554 -3.878
16 HG21 VAL 3 3HG2 VAL 3 15.390 -5.736 -5.696
17 HG22 VAL 3 1HG2 VAL 3 14.663 -4.138 -5.531
18 HG23 VAL 3 2HG2 VAL 3 14.695 -4.934 -7.111
19 H LYS 4 H LYS 4 12.324 -9.038 -5.160
20 HA LYS 4 HA LYS 4 9.585 -8.906 -6.068
21 HB2 LYS 4 2HB LYS 4 10.903 -10.726 -4.046
22 HB3 LYS 4 1HB LYS 4 9.279 -10.912 -4.688
23 HG2 LYS 4 2HG LYS 4 11.852 -11.163 -6.229
24 HG3 LYS 4 1HG LYS 4 10.783 -12.478 -5.747
25 HD2 LYS 4 2HD LYS 4 8.988 -11.474 -7.119
26 HD3 LYS 4 1HD LYS 4 10.130 -10.225 -7.623
27 HE2 LYS 4 2HE LYS 4 10.470 -13.181 -8.105
28 HE3 LYS 4 1HE LYS 4 9.876 -12.028 -9.298
29 HZ1 LYS 4 3HZ LYS 4 12.596 -12.105 -8.083
30 HZ2 LYS 4 1HZ LYS 4 12.044 -10.870 -9.090
31 HZ3 LYS 4 2HZ LYS 4 12.164 -12.432 -9.670
32 H LEU 5 H LEU 5 8.049 -7.909 -4.967
33 HA LEU 5 HA LEU 5 8.788 -6.875 -2.324
34 HB2 LEU 5 2HB LEU 5 6.756 -5.673 -4.221
35 HB3 LEU 5 1HB LEU 5 7.370 -5.010 -2.707
36 HG LEU 5 HG LEU 5 9.078 -5.416 -5.161
37 HD11 LEU 5 1HD1 LEU 5 7.333 -3.744 -5.543
38 HD12 LEU 5 2HD1 LEU 5 8.948 -3.043 -5.488
39 HD13 LEU 5 3HD1 LEU 5 7.871 -2.867 -4.107
40 HD21 LEU 5 3HD2 LEU 5 9.553 -3.948 -2.573
41 HD22 LEU 5 1HD2 LEU 5 10.641 -3.965 -3.963
42 HD23 LEU 5 2HD2 LEU 5 10.315 -5.456 -3.084
43 H CYS 6 H CYS 6 7.024 -6.639 -0.850
44 HA CYS 6 HA CYS 6 4.858 -8.560 -1.343
45 HB2 CYS 6 2HB CYS 6 6.233 -8.087 1.319
46 HB3 CYS 6 1HB CYS 6 4.997 -9.286 0.967
47 H ASP 7 H ASP 7 2.856 -7.946 -0.549
48 HA ASP 7 HA ASP 7 2.512 -5.086 -0.254
49 HB2 ASP 7 2HB ASP 7 0.495 -7.327 -0.454
50 HB3 ASP 7 1HB ASP 7 0.052 -5.643 -0.305
51 H VAL 8 H VAL 8 2.408 -4.127 1.584
52 HA VAL 8 HA VAL 8 1.594 -5.601 3.995
53 HB VAL 8 HB VAL 8 3.152 -3.006 3.784
54 HG11 VAL 8 1HG1 VAL 8 1.874 -3.115 5.837
55 HG12 VAL 8 2HG1 VAL 8 3.598 -3.279 6.172
56 HG13 VAL 8 3HG1 VAL 8 2.555 -4.703 6.198
57 HG21 VAL 8 3HG2 VAL 8 5.098 -4.270 4.522
58 HG22 VAL 8 1HG2 VAL 8 4.480 -4.879 2.990
59 HG23 VAL 8 2HG2 VAL 8 4.152 -5.759 4.484
60 HA PRO 9 HA PRO 9 -2.069 -3.015 3.298
61 HB2 PRO 9 2HB PRO 9 -3.390 -3.892 5.561
62 HB3 PRO 9 1HB PRO 9 -3.453 -4.700 3.993
63 HG2 PRO 9 2HG PRO 9 -1.821 -5.350 6.398
64 HG3 PRO 9 1HG PRO 9 -2.601 -6.442 5.240
65 HD2 PRO 9 2HD PRO 9 0.041 -5.926 5.225
66 HD3 PRO 9 1HD PRO 9 -0.863 -6.280 3.736
67 H SER 10 H SER 10 -1.895 -0.923 3.768
68 HA SER 10 HA SER 10 -0.541 0.088 6.005
69 HB2 SER 10 2HB SER 10 -2.510 1.530 4.248
70 HB3 SER 10 1HB SER 10 -1.106 2.197 5.086
71 HG SER 10 HG SER 10 0.244 1.212 3.617
72 H GLY 11 H GLY 11 -1.363 -0.062 8.010
73 HA2 GLY 11 2HA GLY 11 -4.057 -0.592 8.650
74 HA3 GLY 11 1HA GLY 11 -2.821 -0.068 9.784
75 H THR 12 H THR 12 -2.363 2.418 8.239
76 HA THR 12 HA THR 12 -4.234 4.013 9.624
77 HB THR 12 HB THR 12 -2.915 5.815 8.285
78 HG1 THR 12 1HG THR 12 -1.811 4.776 6.830
79 HG21 THR 12 3HG2 THR 12 -1.559 4.007 10.294
80 HG22 THR 12 1HG2 THR 12 -2.651 5.331 10.698
81 HG23 THR 12 2HG2 THR 12 -1.101 5.668 9.928
82 H TRP 13 H TRP 13 -4.168 2.728 6.393
83 HA TRP 13 HA TRP 13 -6.120 4.750 5.535
84 HB2 TRP 13 2HB TRP 13 -4.027 4.278 4.146
85 HB3 TRP 13 1HB TRP 13 -4.747 2.714 3.774
86 HD1 TRP 13 HD TRP 13 -7.588 3.302 2.867
87 HE1 TRP 13 1HE TRP 13 -8.154 4.859 0.889
88 HE3 TRP 13 3HE TRP 13 -3.229 5.955 2.651
89 HZ2 TRP 13 2HZ TRP 13 -6.888 6.908 -0.590
90 HZ3 TRP 13 3HZ TRP 13 -2.976 7.674 0.930
91 HH2 TRP 13 HH TRP 13 -4.756 8.144 -0.653
92 H SER 14 H SER 14 -8.120 4.094 5.895
93 HA SER 14 HA SER 14 -8.772 1.299 5.337
94 HB2 SER 14 2HB SER 14 -10.509 1.475 7.124
95 HB3 SER 14 1HB SER 14 -8.880 1.669 7.757
96 HG SER 14 HG SER 14 -9.364 4.035 7.424
97 H GLY 15 H GLY 15 -10.883 1.006 4.356
98 HA2 GLY 15 2HA GLY 15 -12.944 1.989 3.609
99 HA3 GLY 15 1HA GLY 15 -12.090 3.510 3.430
100 H HIS 16 H HIS 16 -11.332 4.027 1.518
101 HA HIS 16 HA HIS 16 -11.002 1.917 -0.484
102 HB2 HIS 16 2HB HIS 16 -13.199 2.973 -0.848
103 HB3 HIS 16 1HB HIS 16 -12.442 4.559 -0.886
104 HD1 HIS 16 1HD HIS 16 -12.495 1.328 -2.886
105 HD2 HIS 16 2HD HIS 16 -11.691 5.376 -3.350
106 HE1 HIS 16 1HE HIS 16 -12.020 1.672 -5.347
107 H CYS 17 H CYS 17 -9.125 2.065 -1.523
108 HA CYS 17 HA CYS 17 -7.542 4.478 -1.113
109 HB2 CYS 17 2HB CYS 17 -6.572 2.175 -0.702
110 HB3 CYS 17 1HB CYS 17 -6.692 1.888 -2.431
111 H GLY 18 H GLY 18 -8.305 5.955 -2.530
112 HA2 GLY 18 2HA GLY 18 -8.286 5.149 -5.355
113 HA3 GLY 18 1HA GLY 18 -9.400 6.338 -4.692
114 H SER 19 H SER 19 -5.974 5.997 -3.995
115 HA SER 19 HA SER 19 -5.275 8.227 -5.645
116 HB2 SER 19 2HB SER 19 -5.032 8.430 -2.631
117 HB3 SER 19 1HB SER 19 -4.371 9.594 -3.779
118 HG SER 19 HG SER 19 -6.957 9.131 -4.292
119 H SER 20 H SER 20 -3.781 7.064 -6.645
120 HA SER 20 HA SER 20 -2.219 5.011 -5.546
121 HB2 SER 20 2HB SER 20 -1.715 6.629 -8.049
122 HB3 SER 20 1HB SER 20 -1.024 5.048 -7.679
123 HG SER 20 HG SER 20 -3.794 5.339 -7.564
124 H SER 21 H SER 21 -1.422 8.403 -6.213
125 HA SER 21 HA SER 21 1.316 8.215 -5.518
126 HB2 SER 21 2HB SER 21 0.482 10.021 -6.962
127 HB3 SER 21 1HB SER 21 -0.539 10.608 -5.656
128 HG SER 21 HG SER 21 2.287 10.514 -5.669
129 H LYS 22 H LYS 22 -1.609 9.047 -3.766
130 HA LYS 22 HA LYS 22 -0.203 9.895 -1.450
131 HB2 LYS 22 2HB LYS 22 -3.100 9.220 -1.815
132 HB3 LYS 22 1HB LYS 22 -2.416 9.872 -0.331
133 HG2 LYS 22 2HG LYS 22 -1.653 11.844 -1.595
134 HG3 LYS 22 1HG LYS 22 -2.462 11.196 -3.026
135 HD2 LYS 22 2HD LYS 22 -4.588 11.246 -1.867
136 HD3 LYS 22 1HD LYS 22 -3.783 11.829 -0.407
137 HE2 LYS 22 2HE LYS 22 -3.064 13.833 -1.633
138 HE3 LYS 22 1HE LYS 22 -3.935 13.245 -3.050
139 HZ1 LYS 22 3HZ LYS 22 -5.982 13.374 -1.841
140 HZ2 LYS 22 1HZ LYS 22 -5.208 14.865 -1.762
141 HZ3 LYS 22 2HZ LYS 22 -5.195 13.824 -0.433
142 H CYS 23 H CYS 23 -1.458 6.843 -2.520
143 HA CYS 23 HA CYS 23 -1.254 5.558 -0.028
144 HB2 CYS 23 2HB CYS 23 -2.488 4.563 -1.917
145 HB3 CYS 23 1HB CYS 23 -0.987 4.401 -2.818
146 H SER 24 H SER 24 1.003 5.988 -2.749
147 HA SER 24 HA SER 24 3.180 4.612 -1.671
148 HB2 SER 24 2HB SER 24 3.208 7.042 -3.479
149 HB3 SER 24 1HB SER 24 4.502 5.851 -3.300
150 HG SER 24 HG SER 24 2.400 4.443 -3.908
151 H GLN 25 H GLN 25 2.267 8.032 -1.552
152 HA GLN 25 HA GLN 25 4.292 9.100 -0.019
153 HB2 GLN 25 2HB GLN 25 2.613 10.466 -1.125
154 HB3 GLN 25 1HB GLN 25 1.362 9.799 -0.090
155 HG2 GLN 25 2HG GLN 25 2.384 10.862 1.852
156 HG3 GLN 25 1HG GLN 25 3.651 11.525 0.819
157 HE21 GLN 25 1HE2 GLN 25 3.170 13.182 -0.560
158 HE22 GLN 25 2HE2 GLN 25 1.738 14.124 -0.427
159 H GLN 26 H GLN 26 1.199 7.726 1.101
160 HA GLN 26 HA GLN 26 1.493 8.168 3.830
161 HB2 GLN 26 2HB GLN 26 -0.582 7.389 2.721
162 HB3 GLN 26 1HB GLN 26 0.163 5.810 2.508
163 HG2 GLN 26 2HG GLN 26 0.434 5.727 5.010
164 HG3 GLN 26 1HG GLN 26 -0.582 7.161 5.085
165 HE21 GLN 26 1HE2 GLN 26 -0.975 4.473 2.842
166 HE22 GLN 26 2HE2 GLN 26 -2.468 3.958 3.471
167 H CYS 27 H CYS 27 2.429 5.376 1.879
168 HA CYS 27 HA CYS 27 3.394 3.876 4.041
169 HB2 CYS 27 2HB CYS 27 3.937 3.662 1.095
170 HB3 CYS 27 1HB CYS 27 4.485 2.484 2.288
171 H LYS 28 H LYS 28 4.986 6.157 1.888
172 HA LYS 28 HA LYS 28 7.611 5.620 2.923
173 HB2 LYS 28 2HB LYS 28 6.531 7.964 1.351
174 HB3 LYS 28 1HB LYS 28 8.230 7.681 1.706
175 HG2 LYS 28 2HG LYS 28 8.231 5.674 0.382
176 HG3 LYS 28 1HG LYS 28 6.485 5.786 0.156
177 HD2 LYS 28 2HD LYS 28 7.684 6.550 -1.834
178 HD3 LYS 28 1HD LYS 28 6.768 7.862 -1.097
179 HE2 LYS 28 2HE LYS 28 8.808 8.675 -0.027
180 HE3 LYS 28 1HE LYS 28 9.727 7.368 -0.776
181 HZ1 LYS 28 3HZ LYS 28 9.140 8.279 -2.942
182 HZ2 LYS 28 1HZ LYS 28 9.932 9.435 -1.998
183 HZ3 LYS 28 2HZ LYS 28 8.265 9.511 -2.205
184 H ASP 29 H ASP 29 4.942 7.549 3.838
185 HA ASP 29 HA ASP 29 6.374 9.365 5.546
186 HB2 ASP 29 2HB ASP 29 4.310 10.080 4.466
187 HB3 ASP 29 1HB ASP 29 3.422 8.787 5.259
188 H ARG 30 H ARG 30 4.076 6.695 6.111
189 HA ARG 30 HA ARG 30 4.382 6.752 8.921
190 HB2 ARG 30 2HB ARG 30 2.371 6.028 7.603
191 HB3 ARG 30 1HB ARG 30 3.269 4.586 7.159
192 HG2 ARG 30 2HG ARG 30 3.559 4.127 9.542
193 HG3 ARG 30 1HG ARG 30 2.437 5.457 9.877
194 HD2 ARG 30 2HD ARG 30 0.780 4.276 8.388
195 HD3 ARG 30 1HD ARG 30 1.885 2.904 8.359
196 HE ARG 30 HE ARG 30 0.354 3.892 10.640
197 HH11 ARG 30 1HH1 ARG 30 2.772 1.520 9.645
198 HH12 ARG 30 2HH1 ARG 30 2.096 0.250 10.562
199 HH21 ARG 30 1HH2 ARG 30 -0.544 2.145 11.956
200 HH22 ARG 30 2HH2 ARG 30 0.212 0.627 11.948
201 H GLU 31 H GLU 31 5.459 4.549 6.298
202 HA GLU 31 HA GLU 31 7.169 3.140 8.218
203 HB2 GLU 31 2HB GLU 31 6.365 2.308 5.421
204 HB3 GLU 31 1HB GLU 31 7.104 1.312 6.657
205 HG2 GLU 31 2HG GLU 31 4.292 2.395 6.710
206 HG3 GLU 31 1HG GLU 31 4.753 0.752 6.287
207 H HIS 32 H HIS 32 9.065 2.225 6.547
208 HA HIS 32 HA HIS 32 9.776 4.463 4.831
209 HB2 HIS 32 2HB HIS 32 11.207 4.427 6.924
210 HB3 HIS 32 1HB HIS 32 11.839 2.874 6.378
211 HD1 HIS 32 1HD HIS 32 13.730 2.952 4.613
212 HD2 HIS 32 2HD HIS 32 11.854 6.606 5.227
213 HE1 HIS 32 1HE HIS 32 15.073 4.633 3.331
214 H PHE 33 H PHE 33 8.911 3.418 3.146
215 HA PHE 33 HA PHE 33 10.555 1.237 2.120
216 HB2 PHE 33 2HB PHE 33 7.552 1.532 1.747
217 HB3 PHE 33 1HB PHE 33 8.551 0.358 0.909
218 HD1 PHE 33 2HD PHE 33 10.072 -1.065 2.682
219 HD2 PHE 33 1HD PHE 33 6.284 0.705 3.475
220 HE1 PHE 33 2HE PHE 33 9.711 -2.657 4.518
221 HE2 PHE 33 1HE PHE 33 5.926 -0.897 5.309
222 HZ PHE 33 HZ PHE 33 7.631 -2.572 5.830
223 H ALA 34 H ALA 34 11.626 1.955 0.437
224 HA ALA 34 HA ALA 34 11.081 4.470 -0.774
225 HB1 ALA 34 1HB ALA 34 13.356 3.594 -0.510
226 HB2 ALA 34 2HB ALA 34 12.998 3.972 -2.196
227 HB3 ALA 34 3HB ALA 34 12.984 2.296 -1.646
228 H TYR 35 H TYR 35 9.926 1.377 -1.322
229 HA TYR 35 HA TYR 35 9.293 1.792 -4.110
230 HB2 TYR 35 2HB TYR 35 8.558 -0.470 -2.238
231 HB3 TYR 35 1HB TYR 35 8.243 -0.446 -3.970
232 HD1 TYR 35 2HD TYR 35 10.194 -0.422 -5.563
233 HD2 TYR 35 1HD TYR 35 10.698 -1.120 -1.390
234 HE1 TYR 35 2HE TYR 35 12.418 -1.352 -5.987
235 HE2 TYR 35 1HE TYR 35 12.922 -2.040 -1.811
236 HH TYR 35 HH TYR 35 14.515 -1.663 -4.756
237 H GLY 36 H GLY 36 8.000 2.695 -1.178
238 HA2 GLY 36 2HA GLY 36 6.124 3.859 -0.672
239 HA3 GLY 36 1HA GLY 36 5.710 3.839 -2.378
240 H GLY 37 H GLY 37 3.782 3.035 -2.664
241 HA2 GLY 37 2HA GLY 37 2.975 0.499 -1.856
242 HA3 GLY 37 1HA GLY 37 2.251 1.737 -0.817
243 H ALA 38 H ALA 38 0.739 0.174 -2.594
244 HA ALA 38 HA ALA 38 -0.188 2.303 -4.344
245 HB1 ALA 38 1HB ALA 38 0.315 -0.508 -5.321
246 HB2 ALA 38 2HB ALA 38 1.287 0.911 -5.713
247 HB3 ALA 38 3HB ALA 38 -0.389 0.819 -6.249
248 H CYS 39 H CYS 39 -2.361 2.063 -5.002
249 HA CYS 39 HA CYS 39 -4.018 0.822 -3.050
250 HB2 CYS 39 2HB CYS 39 -4.728 2.089 -5.709
251 HB3 CYS 39 1HB CYS 39 -5.878 1.669 -4.447
252 H HIS 40 H HIS 40 -4.425 -1.245 -3.040
253 HA HIS 40 HA HIS 40 -4.389 -2.722 -5.572
254 HB2 HIS 40 2HB HIS 40 -2.230 -2.942 -4.369
255 HB3 HIS 40 1HB HIS 40 -3.079 -3.480 -2.941
256 HD1 HIS 40 1HD HIS 40 -1.097 -5.426 -3.464
257 HD2 HIS 40 2HD HIS 40 -4.527 -5.419 -5.832
258 HE1 HIS 40 1HE HIS 40 -1.261 -7.724 -4.469
259 H TYR 41 H TYR 41 -6.187 -3.886 -5.838
260 HA TYR 41 HA TYR 41 -7.955 -4.279 -3.587
261 HB2 TYR 41 2HB TYR 41 -8.780 -3.795 -6.029
262 HB3 TYR 41 1HB TYR 41 -8.416 -5.493 -6.305
263 HD1 TYR 41 1HD TYR 41 -9.346 -7.037 -4.148
264 HD2 TYR 41 2HD TYR 41 -11.043 -3.414 -5.619
265 HE1 TYR 41 1HE TYR 41 -11.460 -7.645 -3.146
266 HE2 TYR 41 2HE TYR 41 -13.180 -4.019 -4.619
267 HH TYR 41 HH TYR 41 -13.493 -6.443 -2.319
268 H GLN 42 H GLN 42 -6.601 -5.561 -2.409
269 HA GLN 42 HA GLN 42 -6.161 -8.207 -3.548
270 HB2 GLN 42 2HB GLN 42 -4.189 -7.181 -2.537
271 HB3 GLN 42 1HB GLN 42 -5.044 -7.043 -1.003
272 HG2 GLN 42 2HG GLN 42 -5.232 -9.391 -0.821
273 HG3 GLN 42 1HG GLN 42 -4.541 -9.653 -2.403
274 HE21 GLN 42 1HE2 GLN 42 -2.508 -7.446 -1.783
275 HE22 GLN 42 2HE2 GLN 42 -1.409 -8.239 -0.706
276 H PHE 43 H PHE 43 -6.942 -7.012 -0.512
277 HA PHE 43 HA PHE 43 -9.317 -8.536 -0.349
278 HB2 PHE 43 2HB PHE 43 -7.532 -10.227 0.033
279 HB3 PHE 43 1HB PHE 43 -7.003 -9.335 1.452
280 HD1 PHE 43 1HD PHE 43 -8.558 -9.222 3.457
281 HD2 PHE 43 2HD PHE 43 -9.300 -11.751 0.114
282 HE1 PHE 43 1HE PHE 43 -10.121 -10.550 4.806
283 HE2 PHE 43 2HE PHE 43 -10.864 -13.081 1.466
284 HZ PHE 43 HZ PHE 43 -11.277 -12.479 3.809
285 HA PRO 44 HA PRO 44 -10.973 -8.397 0.615
286 HB2 PRO 44 2HB PRO 44 -12.987 -7.031 2.045
287 HB3 PRO 44 1HB PRO 44 -12.265 -8.575 2.493
288 HG2 PRO 44 2HG PRO 44 -12.026 -6.188 3.943
289 HG3 PRO 44 1HG PRO 44 -11.009 -7.622 4.136
290 HD2 PRO 44 2HD PRO 44 -10.479 -5.115 2.587
291 HD3 PRO 44 1HD PRO 44 -9.361 -6.099 3.559
292 H SER 45 H SER 45 -10.084 -5.273 0.409
293 HA SER 45 HA SER 45 -11.949 -4.526 -1.705
294 HB2 SER 45 2HB SER 45 -11.231 -2.712 0.624
295 HB3 SER 45 1HB SER 45 -12.392 -2.390 -0.659
296 HG SER 45 HG SER 45 -13.727 -3.952 0.165
297 H VAL 46 H VAL 46 -10.915 -2.254 -2.572
298 HA VAL 46 HA VAL 46 -8.063 -2.698 -2.685
299 HB VAL 46 HB VAL 46 -8.952 -2.165 -4.864
300 HG11 VAL 46 1HG1 VAL 46 -10.029 -0.054 -5.358
301 HG12 VAL 46 2HG1 VAL 46 -10.105 0.270 -3.608
302 HG13 VAL 46 3HG1 VAL 46 -10.933 -1.144 -4.307
303 HG21 VAL 46 3HG2 VAL 46 -7.709 -0.164 -5.510
304 HG22 VAL 46 1HG2 VAL 46 -6.771 -1.206 -4.440
305 HG23 VAL 46 2HG2 VAL 46 -7.524 0.257 -3.808
306 H LYS 47 H LYS 47 -6.898 -2.193 -1.304
307 HA LYS 47 HA LYS 47 -7.421 0.229 0.267
308 HB2 LYS 47 2HB LYS 47 -7.973 -1.916 1.458
309 HB3 LYS 47 1HB LYS 47 -6.317 -2.433 1.223
310 HG2 LYS 47 2HG LYS 47 -5.516 -0.708 2.702
311 HG3 LYS 47 1HG LYS 47 -7.130 -0.012 2.827
312 HD2 LYS 47 2HD LYS 47 -6.599 -1.338 4.812
313 HD3 LYS 47 1HD LYS 47 -7.930 -2.065 3.918
314 HE2 LYS 47 2HE LYS 47 -6.378 -3.697 2.940
315 HE3 LYS 47 1HE LYS 47 -5.040 -2.949 3.809
316 HZ1 LYS 47 3HZ LYS 47 -6.139 -3.562 5.896
317 HZ2 LYS 47 1HZ LYS 47 -5.850 -4.933 4.968
318 HZ3 LYS 47 2HZ LYS 47 -7.390 -4.285 5.061
319 H CYS 48 H CYS 48 -5.253 0.840 1.408
320 HA CYS 48 HA CYS 48 -3.290 1.036 -0.671
321 HB2 CYS 48 2HB CYS 48 -3.892 2.960 0.766
322 HB3 CYS 48 1HB CYS 48 -3.315 2.088 2.172
323 H PHE 49 H PHE 49 -1.634 -0.305 -0.877
324 HA PHE 49 HA PHE 49 -0.824 -1.885 1.444
325 HB2 PHE 49 2HB PHE 49 -1.150 -2.805 -1.417
326 HB3 PHE 49 1HB PHE 49 -0.169 -3.669 -0.250
327 HD1 PHE 49 1HD PHE 49 -3.631 -2.623 -1.053
328 HD2 PHE 49 2HD PHE 49 -1.168 -5.131 1.335
329 HE1 PHE 49 1HE PHE 49 -5.612 -3.887 -0.344
330 HE2 PHE 49 2HE PHE 49 -3.148 -6.400 2.056
331 HZ PHE 49 HZ PHE 49 -5.374 -5.783 1.224
332 H CYS 50 H CYS 50 1.085 -1.349 2.013
333 HA CYS 50 HA CYS 50 2.903 0.163 0.409
334 HB2 CYS 50 2HB CYS 50 3.382 -1.236 3.048
335 HB3 CYS 50 1HB CYS 50 4.346 0.056 2.348
336 H LYS 51 H LYS 51 4.902 -0.556 -0.386
337 HA LYS 51 HA LYS 51 4.959 -3.448 -0.858
338 HB2 LYS 51 2HB LYS 51 6.306 -1.204 -2.348
339 HB3 LYS 51 1HB LYS 51 6.413 -2.915 -2.739
340 HG2 LYS 51 2HG LYS 51 4.079 -2.999 -3.278
341 HG3 LYS 51 1HG LYS 51 3.858 -1.331 -2.736
342 HD2 LYS 51 2HD LYS 51 5.405 -0.573 -4.462
343 HD3 LYS 51 1HD LYS 51 5.610 -2.235 -5.009
344 HE2 LYS 51 2HE LYS 51 3.282 -2.356 -5.637
345 HE3 LYS 51 1HE LYS 51 2.989 -0.746 -4.980
346 HZ1 LYS 51 3HZ LYS 51 4.796 -1.374 -7.246
347 HZ2 LYS 51 1HZ LYS 51 4.508 0.160 -6.618
348 HZ3 LYS 51 2HZ LYS 51 3.272 -0.688 -7.388
349 H ARG 52 H ARG 52 6.204 -4.429 0.559
350 HA ARG 52 HA ARG 52 8.608 -3.074 1.491
351 HB2 ARG 52 2HB ARG 52 8.848 -4.846 3.157
352 HB3 ARG 52 1HB ARG 52 7.219 -4.197 3.216
353 HG2 ARG 52 2HG ARG 52 6.381 -6.110 2.003
354 HG3 ARG 52 1HG ARG 52 8.015 -6.748 1.831
355 HD2 ARG 52 2HD ARG 52 6.539 -6.326 4.434
356 HD3 ARG 52 1HD ARG 52 6.773 -7.874 3.630
357 HE ARG 52 HE ARG 52 9.264 -6.614 4.100
358 HH11 ARG 52 1HH1 ARG 52 6.750 -8.460 5.769
359 HH12 ARG 52 2HH1 ARG 52 7.770 -8.913 7.060
360 HH21 ARG 52 1HH2 ARG 52 10.618 -7.272 5.834
361 HH22 ARG 52 2HH2 ARG 52 9.984 -8.232 7.103
362 H GLN 53 H GLN 53 10.659 -4.006 1.365
363 HA GLN 53 HA GLN 53 11.161 -5.331 -1.124
364 HB2 GLN 53 2HB GLN 53 12.618 -3.558 -0.159
365 HB3 GLN 53 1HB GLN 53 13.012 -4.649 1.158
366 HG2 GLN 53 2HG GLN 53 13.851 -6.250 -0.618
367 HG3 GLN 53 1HG GLN 53 13.737 -4.877 -1.724
368 HE21 GLN 53 1HE2 GLN 53 15.342 -6.199 1.019
369 HE22 GLN 53 2HE2 GLN 53 16.682 -5.113 1.016
370 H CYS 54 H CYS 54 11.107 -7.543 -1.315
371 HA CYS 54 HA CYS 54 11.822 -9.071 1.062
372 HB2 CYS 54 2HB CYS 54 9.853 -9.804 -1.125
373 HB3 CYS 54 1HB CYS 54 10.326 -10.850 0.211
Start of MODEL 16
1 H1 ASP 1 1HT ASP 1 13.437 -5.227 -12.462
2 H2 ASP 1 2HT ASP 1 13.383 -3.590 -12.045
3 H3 ASP 1 3HT ASP 1 12.603 -4.752 -11.087
4 HA ASP 1 HA ASP 1 15.499 -4.653 -11.531
5 HB2 ASP 1 2HB ASP 1 13.830 -3.695 -9.213
6 HB3 ASP 1 1HB ASP 1 15.533 -4.103 -9.043
7 H GLY 2 H GLY 2 16.589 -5.905 -9.797
8 HA2 GLY 2 2HA GLY 2 15.515 -8.559 -9.873
9 HA3 GLY 2 1HA GLY 2 17.079 -8.061 -9.257
10 H VAL 3 H VAL 3 15.815 -5.980 -7.546
11 HA VAL 3 HA VAL 3 15.569 -7.486 -5.211
12 HB VAL 3 HB VAL 3 14.816 -5.408 -4.107
13 HG11 VAL 3 1HG1 VAL 3 17.132 -5.014 -5.984
14 HG12 VAL 3 2HG1 VAL 3 17.185 -5.714 -4.361
15 HG13 VAL 3 3HG1 VAL 3 16.778 -4.011 -4.580
16 HG21 VAL 3 3HG2 VAL 3 14.640 -3.297 -5.366
17 HG22 VAL 3 1HG2 VAL 3 13.412 -4.463 -5.860
18 HG23 VAL 3 2HG2 VAL 3 14.830 -4.191 -6.875
19 H LYS 4 H LYS 4 13.920 -8.432 -4.241
20 HA LYS 4 HA LYS 4 11.340 -8.379 -5.580
21 HB2 LYS 4 2HB LYS 4 12.192 -9.991 -3.166
22 HB3 LYS 4 1HB LYS 4 10.756 -10.239 -4.144
23 HG2 LYS 4 2HG LYS 4 13.603 -10.654 -5.013
24 HG3 LYS 4 1HG LYS 4 12.425 -11.916 -4.645
25 HD2 LYS 4 2HD LYS 4 11.051 -11.138 -6.523
26 HD3 LYS 4 1HD LYS 4 12.253 -9.896 -6.881
27 HE2 LYS 4 2HE LYS 4 12.675 -12.880 -6.963
28 HE3 LYS 4 1HE LYS 4 12.559 -11.802 -8.349
29 HZ1 LYS 4 3HZ LYS 4 14.693 -11.841 -6.297
30 HZ2 LYS 4 1HZ LYS 4 14.591 -10.667 -7.515
31 HZ3 LYS 4 2HZ LYS 4 14.836 -12.306 -7.889
32 H LEU 5 H LEU 5 9.518 -7.551 -4.611
33 HA LEU 5 HA LEU 5 10.023 -6.108 -2.118
34 HB2 LEU 5 2HB LEU 5 8.154 -5.198 -4.308
35 HB3 LEU 5 1HB LEU 5 8.655 -4.360 -2.854
36 HG LEU 5 HG LEU 5 10.512 -5.037 -5.091
37 HD11 LEU 5 1HD1 LEU 5 8.852 -3.448 -5.881
38 HD12 LEU 5 2HD1 LEU 5 10.404 -2.635 -5.670
39 HD13 LEU 5 3HD1 LEU 5 9.129 -2.428 -4.470
40 HD21 LEU 5 3HD2 LEU 5 10.828 -3.288 -2.658
41 HD22 LEU 5 1HD2 LEU 5 11.971 -3.349 -4.006
42 HD23 LEU 5 2HD2 LEU 5 11.679 -4.790 -3.047
43 H CYS 6 H CYS 6 8.504 -6.274 -0.662
44 HA CYS 6 HA CYS 6 6.354 -8.200 -1.200
45 HB2 CYS 6 2HB CYS 6 7.358 -7.178 1.464
46 HB3 CYS 6 1HB CYS 6 6.166 -8.447 1.211
47 H ASP 7 H ASP 7 4.397 -7.483 -1.483
48 HA ASP 7 HA ASP 7 3.683 -4.715 -1.053
49 HB2 ASP 7 2HB ASP 7 2.044 -7.081 -2.037
50 HB3 ASP 7 1HB ASP 7 1.512 -5.417 -2.089
51 H VAL 8 H VAL 8 3.454 -4.259 1.044
52 HA VAL 8 HA VAL 8 2.165 -6.153 2.838
53 HB VAL 8 HB VAL 8 3.609 -3.555 3.435
54 HG11 VAL 8 1HG1 VAL 8 2.701 -5.743 5.298
55 HG12 VAL 8 2HG1 VAL 8 2.018 -4.119 5.185
56 HG13 VAL 8 3HG1 VAL 8 3.678 -4.346 5.747
57 HG21 VAL 8 3HG2 VAL 8 4.539 -6.400 3.673
58 HG22 VAL 8 1HG2 VAL 8 5.444 -4.987 4.209
59 HG23 VAL 8 2HG2 VAL 8 5.103 -5.218 2.491
60 HA PRO 9 HA PRO 9 -1.615 -3.758 2.404
61 HB2 PRO 9 2HB PRO 9 -2.533 -5.258 4.749
62 HB3 PRO 9 1HB PRO 9 -3.190 -5.240 3.114
63 HG2 PRO 9 2HG PRO 9 -1.868 -7.353 4.165
64 HG3 PRO 9 1HG PRO 9 -1.883 -6.984 2.433
65 HD2 PRO 9 2HD PRO 9 0.259 -6.568 4.451
66 HD3 PRO 9 1HD PRO 9 0.367 -6.958 2.721
67 H SER 10 H SER 10 -1.630 -1.778 3.132
68 HA SER 10 HA SER 10 -0.531 -0.864 5.542
69 HB2 SER 10 2HB SER 10 -0.818 0.573 3.572
70 HB3 SER 10 1HB SER 10 -2.569 0.426 3.708
71 HG SER 10 HG SER 10 -0.767 1.625 5.511
72 H GLY 11 H GLY 11 -1.318 -1.003 7.544
73 HA2 GLY 11 2HA GLY 11 -3.971 -1.989 8.013
74 HA3 GLY 11 1HA GLY 11 -2.763 -1.584 9.228
75 H THR 12 H THR 12 -2.240 1.026 8.290
76 HA THR 12 HA THR 12 -4.393 2.311 9.589
77 HB THR 12 HB THR 12 -2.227 3.250 10.018
78 HG1 THR 12 1HG THR 12 -3.995 4.738 9.883
79 HG21 THR 12 3HG2 THR 12 -2.040 3.831 7.059
80 HG22 THR 12 1HG2 THR 12 -1.073 2.652 7.944
81 HG23 THR 12 2HG2 THR 12 -0.885 4.380 8.270
82 H TRP 13 H TRP 13 -3.438 2.058 6.167
83 HA TRP 13 HA TRP 13 -5.414 3.976 5.405
84 HB2 TRP 13 2HB TRP 13 -3.403 3.425 3.959
85 HB3 TRP 13 1HB TRP 13 -4.188 1.892 3.582
86 HD1 TRP 13 HD TRP 13 -6.615 2.100 2.213
87 HE1 TRP 13 1HE TRP 13 -7.389 3.881 0.514
88 HE3 TRP 13 3HE TRP 13 -3.217 5.787 3.253
89 HZ2 TRP 13 2HZ TRP 13 -6.634 6.462 -0.308
90 HZ3 TRP 13 3HZ TRP 13 -3.308 7.867 1.955
91 HH2 TRP 13 HH TRP 13 -4.990 8.192 0.206
92 H SER 14 H SER 14 -7.462 3.647 5.494
93 HA SER 14 HA SER 14 -8.449 0.965 5.033
94 HB2 SER 14 2HB SER 14 -10.113 1.471 6.927
95 HB3 SER 14 1HB SER 14 -8.452 1.084 7.379
96 HG SER 14 HG SER 14 -8.186 3.501 7.259
97 H GLY 15 H GLY 15 -10.524 0.862 4.108
98 HA2 GLY 15 2HA GLY 15 -12.601 1.900 3.523
99 HA3 GLY 15 1HA GLY 15 -11.753 3.433 3.427
100 H HIS 16 H HIS 16 -11.090 4.095 1.530
101 HA HIS 16 HA HIS 16 -10.970 2.174 -0.666
102 HB2 HIS 16 2HB HIS 16 -13.172 3.263 -0.758
103 HB3 HIS 16 1HB HIS 16 -12.417 4.844 -0.666
104 HD1 HIS 16 1HD HIS 16 -13.023 1.994 -3.083
105 HD2 HIS 16 2HD HIS 16 -11.514 5.870 -3.053
106 HE1 HIS 16 1HE HIS 16 -12.677 2.651 -5.509
107 H CYS 17 H CYS 17 -9.633 2.922 -2.432
108 HA CYS 17 HA CYS 17 -7.923 5.187 -1.832
109 HB2 CYS 17 2HB CYS 17 -6.682 3.215 -1.112
110 HB3 CYS 17 1HB CYS 17 -6.990 2.443 -2.665
111 H GLY 18 H GLY 18 -8.467 6.479 -3.446
112 HA2 GLY 18 2HA GLY 18 -8.887 5.326 -6.097
113 HA3 GLY 18 1HA GLY 18 -9.296 6.970 -5.620
114 H SER 19 H SER 19 -6.655 7.255 -4.271
115 HA SER 19 HA SER 19 -4.993 7.552 -6.659
116 HB2 SER 19 2HB SER 19 -5.161 9.336 -4.228
117 HB3 SER 19 1HB SER 19 -4.071 9.585 -5.585
118 HG SER 19 HG SER 19 -6.797 9.282 -6.075
119 H SER 20 H SER 20 -3.689 5.778 -6.473
120 HA SER 20 HA SER 20 -2.837 4.633 -4.107
121 HB2 SER 20 2HB SER 20 -1.214 3.470 -5.660
122 HB3 SER 20 1HB SER 20 -2.929 3.331 -6.061
123 HG SER 20 HG SER 20 -0.878 4.621 -7.341
124 H SER 21 H SER 21 -1.457 7.316 -5.908
125 HA SER 21 HA SER 21 1.103 7.031 -4.730
126 HB2 SER 21 2HB SER 21 -0.122 9.473 -5.984
127 HB3 SER 21 1HB SER 21 1.596 9.196 -5.686
128 HG SER 21 HG SER 21 0.792 7.101 -6.931
129 H LYS 22 H LYS 22 -1.859 8.152 -3.514
130 HA LYS 22 HA LYS 22 -0.750 9.946 -1.571
131 HB2 LYS 22 2HB LYS 22 -3.478 8.668 -1.792
132 HB3 LYS 22 1HB LYS 22 -3.039 9.771 -0.502
133 HG2 LYS 22 2HG LYS 22 -3.036 10.445 -3.443
134 HG3 LYS 22 1HG LYS 22 -4.323 10.850 -2.312
135 HD2 LYS 22 2HD LYS 22 -1.456 11.815 -2.116
136 HD3 LYS 22 1HD LYS 22 -2.801 12.747 -2.759
137 HE2 LYS 22 2HE LYS 22 -3.926 12.624 -0.564
138 HE3 LYS 22 1HE LYS 22 -2.566 11.710 0.073
139 HZ1 LYS 22 3HZ LYS 22 -2.418 14.486 -0.978
140 HZ2 LYS 22 1HZ LYS 22 -1.136 13.626 -0.302
141 HZ3 LYS 22 2HZ LYS 22 -2.445 14.068 0.646
142 H CYS 23 H CYS 23 -1.827 6.548 -1.604
143 HA CYS 23 HA CYS 23 -1.187 6.244 1.168
144 HB2 CYS 23 2HB CYS 23 -1.643 3.905 0.885
145 HB3 CYS 23 1HB CYS 23 -2.838 4.785 -0.058
146 H SER 24 H SER 24 0.420 5.791 -1.887
147 HA SER 24 HA SER 24 2.767 4.559 -1.070
148 HB2 SER 24 2HB SER 24 2.075 5.071 -3.445
149 HB3 SER 24 1HB SER 24 2.476 6.760 -3.099
150 HG SER 24 HG SER 24 4.187 5.823 -4.112
151 H GLN 25 H GLN 25 1.856 8.012 -1.188
152 HA GLN 25 HA GLN 25 4.239 9.016 -0.112
153 HB2 GLN 25 2HB GLN 25 2.590 10.458 -1.243
154 HB3 GLN 25 1HB GLN 25 1.450 10.179 0.062
155 HG2 GLN 25 2HG GLN 25 2.521 12.355 0.286
156 HG3 GLN 25 1HG GLN 25 2.946 11.299 1.631
157 HE21 GLN 25 1HE2 GLN 25 5.052 10.526 1.789
158 HE22 GLN 25 2HE2 GLN 25 6.365 11.206 0.908
159 H GLN 26 H GLN 26 1.167 8.123 1.390
160 HA GLN 26 HA GLN 26 1.649 8.647 4.041
161 HB2 GLN 26 2HB GLN 26 -0.488 7.798 3.279
162 HB3 GLN 26 1HB GLN 26 0.252 6.277 2.802
163 HG2 GLN 26 2HG GLN 26 0.860 5.946 5.220
164 HG3 GLN 26 1HG GLN 26 -0.182 7.319 5.581
165 HE21 GLN 26 1HE2 GLN 26 -0.035 4.053 4.463
166 HE22 GLN 26 2HE2 GLN 26 -1.697 3.688 4.654
167 H CYS 27 H CYS 27 2.361 5.595 2.350
168 HA CYS 27 HA CYS 27 3.673 4.496 4.562
169 HB2 CYS 27 2HB CYS 27 3.622 3.646 1.674
170 HB3 CYS 27 1HB CYS 27 4.472 2.750 2.933
171 H LYS 28 H LYS 28 5.010 6.151 1.682
172 HA LYS 28 HA LYS 28 7.699 5.659 2.439
173 HB2 LYS 28 2HB LYS 28 6.546 7.872 0.757
174 HB3 LYS 28 1HB LYS 28 8.267 7.573 0.978
175 HG2 LYS 28 2HG LYS 28 8.048 5.399 -0.091
176 HG3 LYS 28 1HG LYS 28 6.313 5.658 -0.272
177 HD2 LYS 28 2HD LYS 28 8.436 7.427 -1.501
178 HD3 LYS 28 1HD LYS 28 7.631 6.107 -2.350
179 HE2 LYS 28 2HE LYS 28 5.473 7.213 -2.038
180 HE3 LYS 28 1HE LYS 28 6.254 8.511 -1.143
181 HZ1 LYS 28 3HZ LYS 28 6.848 7.842 -3.961
182 HZ2 LYS 28 1HZ LYS 28 7.422 9.171 -3.092
183 HZ3 LYS 28 2HZ LYS 28 5.785 9.063 -3.461
184 H ASP 29 H ASP 29 5.382 7.941 3.560
185 HA ASP 29 HA ASP 29 7.396 9.681 4.716
186 HB2 ASP 29 2HB ASP 29 5.342 10.657 3.749
187 HB3 ASP 29 1HB ASP 29 4.389 9.816 4.965
188 H ARG 30 H ARG 30 4.635 7.821 5.959
189 HA ARG 30 HA ARG 30 5.390 8.223 8.696
190 HB2 ARG 30 2HB ARG 30 3.503 6.129 7.624
191 HB3 ARG 30 1HB ARG 30 3.619 6.732 9.262
192 HG2 ARG 30 2HG ARG 30 2.755 8.895 8.521
193 HG3 ARG 30 1HG ARG 30 2.622 8.265 6.869
194 HD2 ARG 30 2HD ARG 30 1.166 6.437 7.800
195 HD3 ARG 30 1HD ARG 30 1.177 7.301 9.333
196 HE ARG 30 HE ARG 30 0.366 8.917 7.135
197 HH11 ARG 30 1HH1 ARG 30 -0.817 6.675 9.635
198 HH12 ARG 30 2HH1 ARG 30 -2.440 7.091 9.448
199 HH21 ARG 30 1HH2 ARG 30 -1.877 9.498 6.888
200 HH22 ARG 30 2HH2 ARG 30 -3.072 8.744 7.854
201 H GLU 31 H GLU 31 5.792 5.644 6.306
202 HA GLU 31 HA GLU 31 6.921 3.914 8.378
203 HB2 GLU 31 2HB GLU 31 5.605 3.337 5.751
204 HB3 GLU 31 1HB GLU 31 6.347 2.106 6.759
205 HG2 GLU 31 2HG GLU 31 4.023 3.846 7.546
206 HG3 GLU 31 1HG GLU 31 3.895 2.202 6.925
207 H HIS 32 H HIS 32 8.253 2.182 6.928
208 HA HIS 32 HA HIS 32 10.369 3.765 5.688
209 HB2 HIS 32 2HB HIS 32 10.384 1.031 6.966
210 HB3 HIS 32 1HB HIS 32 11.770 1.719 6.131
211 HD1 HIS 32 1HD HIS 32 13.161 3.460 7.421
212 HD2 HIS 32 2HD HIS 32 9.695 2.303 9.390
213 HE1 HIS 32 1HE HIS 32 13.317 4.437 9.735
214 H PHE 33 H PHE 33 7.935 2.938 4.231
215 HA PHE 33 HA PHE 33 8.945 0.826 2.493
216 HB2 PHE 33 2HB PHE 33 6.269 2.219 2.496
217 HB3 PHE 33 1HB PHE 33 6.723 0.952 1.370
218 HD1 PHE 33 1HD PHE 33 7.197 -1.329 2.260
219 HD2 PHE 33 2HD PHE 33 5.412 1.692 4.627
220 HE1 PHE 33 1HE PHE 33 6.373 -3.036 3.804
221 HE2 PHE 33 2HE PHE 33 4.584 -0.008 6.192
222 HZ PHE 33 HZ PHE 33 5.059 -2.378 5.787
223 H ALA 34 H ALA 34 10.643 2.122 1.766
224 HA ALA 34 HA ALA 34 10.329 4.625 0.510
225 HB1 ALA 34 1HB ALA 34 12.540 2.626 0.119
226 HB2 ALA 34 2HB ALA 34 12.451 3.811 1.420
227 HB3 ALA 34 3HB ALA 34 12.604 4.349 -0.253
228 H TYR 35 H TYR 35 9.681 1.496 -0.615
229 HA TYR 35 HA TYR 35 9.991 2.217 -3.385
230 HB2 TYR 35 2HB TYR 35 9.117 -0.359 -2.069
231 HB3 TYR 35 1HB TYR 35 9.154 -0.131 -3.817
232 HD1 TYR 35 1HD TYR 35 11.240 -0.401 -0.777
233 HD2 TYR 35 2HD TYR 35 11.224 -0.061 -5.015
234 HE1 TYR 35 1HE TYR 35 13.627 -0.875 -0.818
235 HE2 TYR 35 2HE TYR 35 13.627 -0.576 -5.062
236 HH TYR 35 HH TYR 35 15.528 -0.326 -3.501
237 H GLY 36 H GLY 36 7.705 2.835 -1.129
238 HA2 GLY 36 2HA GLY 36 5.738 3.981 -1.490
239 HA3 GLY 36 1HA GLY 36 5.850 3.594 -3.201
240 H GLY 37 H GLY 37 3.589 3.103 -3.129
241 HA2 GLY 37 2HA GLY 37 3.137 0.347 -2.521
242 HA3 GLY 37 1HA GLY 37 2.202 1.475 -1.531
243 H ALA 38 H ALA 38 0.843 -0.212 -3.070
244 HA ALA 38 HA ALA 38 -0.312 1.585 -5.032
245 HB1 ALA 38 1HB ALA 38 1.193 0.121 -6.311
246 HB2 ALA 38 2HB ALA 38 -0.498 -0.177 -6.710
247 HB3 ALA 38 3HB ALA 38 0.367 -1.295 -5.656
248 H CYS 39 H CYS 39 -2.487 1.088 -5.458
249 HA CYS 39 HA CYS 39 -3.698 -0.321 -3.207
250 HB2 CYS 39 2HB CYS 39 -4.826 1.841 -4.982
251 HB3 CYS 39 1HB CYS 39 -5.683 1.061 -3.652
252 H HIS 40 H HIS 40 -5.098 -1.912 -3.475
253 HA HIS 40 HA HIS 40 -6.076 -2.552 -6.129
254 HB2 HIS 40 2HB HIS 40 -3.844 -3.754 -5.694
255 HB3 HIS 40 1HB HIS 40 -4.658 -4.600 -4.390
256 HD1 HIS 40 1HD HIS 40 -3.831 -4.953 -7.870
257 HD2 HIS 40 2HD HIS 40 -6.980 -6.153 -5.447
258 HE1 HIS 40 1HE HIS 40 -4.979 -6.846 -9.092
259 H TYR 41 H TYR 41 -8.086 -3.580 -5.939
260 HA TYR 41 HA TYR 41 -9.299 -3.390 -3.369
261 HB2 TYR 41 2HB TYR 41 -10.656 -2.869 -5.316
262 HB3 TYR 41 1HB TYR 41 -10.397 -4.491 -5.954
263 HD1 TYR 41 2HD TYR 41 -11.877 -2.697 -3.046
264 HD2 TYR 41 1HD TYR 41 -11.859 -6.233 -5.401
265 HE1 TYR 41 2HE TYR 41 -13.833 -3.516 -1.823
266 HE2 TYR 41 1HE TYR 41 -13.802 -7.063 -4.200
267 HH TYR 41 HH TYR 41 -14.940 -6.772 -2.158
268 H GLN 42 H GLN 42 -9.614 -4.829 -1.927
269 HA GLN 42 HA GLN 42 -9.451 -7.632 -2.591
270 HB2 GLN 42 2HB GLN 42 -7.261 -6.943 -1.639
271 HB3 GLN 42 1HB GLN 42 -8.098 -6.251 -0.255
272 HG2 GLN 42 2HG GLN 42 -8.863 -8.408 0.437
273 HG3 GLN 42 1HG GLN 42 -8.218 -9.156 -1.014
274 HE21 GLN 42 1HE2 GLN 42 -6.940 -10.546 0.115
275 HE22 GLN 42 2HE2 GLN 42 -5.540 -10.063 0.993
276 H PHE 43 H PHE 43 -10.903 -8.753 -1.183
277 HA PHE 43 HA PHE 43 -13.061 -7.179 -0.423
278 HB2 PHE 43 2HB PHE 43 -13.352 -9.536 -1.000
279 HB3 PHE 43 1HB PHE 43 -12.412 -10.023 0.407
280 HD1 PHE 43 2HD PHE 43 -15.548 -8.375 -0.651
281 HD2 PHE 43 1HD PHE 43 -13.439 -10.286 2.506
282 HE1 PHE 43 2HE PHE 43 -17.592 -8.399 0.696
283 HE2 PHE 43 1HE PHE 43 -15.483 -10.310 3.858
284 HZ PHE 43 HZ PHE 43 -17.561 -9.366 2.956
285 HA PRO 44 HA PRO 44 -14.415 -6.428 0.691
286 HB2 PRO 44 2HB PRO 44 -15.609 -5.061 2.570
287 HB3 PRO 44 1HB PRO 44 -15.407 -6.809 2.752
288 HG2 PRO 44 2HG PRO 44 -13.980 -4.593 4.132
289 HG3 PRO 44 1HG PRO 44 -14.343 -6.223 4.715
290 HD2 PRO 44 2HD PRO 44 -11.901 -5.267 3.515
291 HD3 PRO 44 1HD PRO 44 -12.262 -6.908 4.091
292 H SER 45 H SER 45 -11.716 -4.627 1.091
293 HA SER 45 HA SER 45 -12.953 -2.153 0.188
294 HB2 SER 45 2HB SER 45 -11.649 -0.880 1.946
295 HB3 SER 45 1HB SER 45 -13.015 -1.832 2.536
296 HG SER 45 HG SER 45 -11.682 -2.914 3.723
297 H VAL 46 H VAL 46 -11.322 -0.570 -0.619
298 HA VAL 46 HA VAL 46 -9.282 -1.979 -2.070
299 HB VAL 46 HB VAL 46 -9.772 1.019 -1.981
300 HG11 VAL 46 1HG1 VAL 46 -7.514 0.377 -2.688
301 HG12 VAL 46 2HG1 VAL 46 -8.432 1.108 -4.009
302 HG13 VAL 46 3HG1 VAL 46 -8.199 -0.642 -3.955
303 HG21 VAL 46 3HG2 VAL 46 -11.701 -0.227 -2.847
304 HG22 VAL 46 1HG2 VAL 46 -10.651 -1.025 -4.015
305 HG23 VAL 46 2HG2 VAL 46 -10.916 0.717 -4.117
306 H LYS 47 H LYS 47 -7.421 -2.461 -1.308
307 HA LYS 47 HA LYS 47 -6.505 -1.042 1.062
308 HB2 LYS 47 2HB LYS 47 -7.060 -3.437 1.318
309 HB3 LYS 47 1HB LYS 47 -5.898 -3.829 0.072
310 HG2 LYS 47 2HG LYS 47 -5.008 -4.315 2.270
311 HG3 LYS 47 1HG LYS 47 -4.081 -3.033 1.494
312 HD2 LYS 47 2HD LYS 47 -4.459 -2.531 3.854
313 HD3 LYS 47 1HD LYS 47 -5.284 -1.360 2.833
314 HE2 LYS 47 2HE LYS 47 -7.405 -2.507 3.201
315 HE3 LYS 47 1HE LYS 47 -6.587 -3.751 4.148
316 HZ1 LYS 47 3HZ LYS 47 -6.681 -0.865 4.880
317 HZ2 LYS 47 1HZ LYS 47 -6.021 -2.128 5.785
318 HZ3 LYS 47 2HZ LYS 47 -7.685 -2.064 5.510
319 H CYS 48 H CYS 48 -4.432 -0.269 1.134
320 HA CYS 48 HA CYS 48 -2.987 -0.275 -1.384
321 HB2 CYS 48 2HB CYS 48 -3.306 1.923 -0.306
322 HB3 CYS 48 1HB CYS 48 -2.471 1.327 1.129
323 H PHE 49 H PHE 49 -1.259 -1.401 -1.639
324 HA PHE 49 HA PHE 49 -0.166 -2.803 0.669
325 HB2 PHE 49 2HB PHE 49 -0.034 -3.611 -2.258
326 HB3 PHE 49 1HB PHE 49 0.566 -4.475 -0.838
327 HD1 PHE 49 2HD PHE 49 -2.590 -3.303 -2.428
328 HD2 PHE 49 1HD PHE 49 -0.743 -5.988 0.303
329 HE1 PHE 49 2HE PHE 49 -4.721 -4.508 -2.184
330 HE2 PHE 49 1HE PHE 49 -2.877 -7.206 0.539
331 HZ PHE 49 HZ PHE 49 -4.857 -6.470 -0.701
332 H CYS 50 H CYS 50 1.540 -1.789 1.288
333 HA CYS 50 HA CYS 50 3.105 -0.208 -0.563
334 HB2 CYS 50 2HB CYS 50 3.226 -0.408 2.457
335 HB3 CYS 50 1HB CYS 50 4.096 0.765 1.464
336 H LYS 51 H LYS 51 5.196 -0.582 -1.024
337 HA LYS 51 HA LYS 51 5.943 -3.382 -0.763
338 HB2 LYS 51 2HB LYS 51 6.971 -1.218 -2.564
339 HB3 LYS 51 1HB LYS 51 7.493 -2.883 -2.588
340 HG2 LYS 51 2HG LYS 51 5.256 -3.628 -3.179
341 HG3 LYS 51 1HG LYS 51 4.683 -1.962 -3.104
342 HD2 LYS 51 2HD LYS 51 6.788 -3.001 -5.006
343 HD3 LYS 51 1HD LYS 51 5.101 -2.716 -5.422
344 HE2 LYS 51 2HE LYS 51 5.413 -0.323 -4.802
345 HE3 LYS 51 1HE LYS 51 7.120 -0.654 -4.531
346 HZ1 LYS 51 3HZ LYS 51 6.804 0.263 -6.693
347 HZ2 LYS 51 1HZ LYS 51 5.668 -0.908 -7.100
348 HZ3 LYS 51 2HZ LYS 51 7.289 -1.321 -6.878
349 H ARG 52 H ARG 52 7.334 -3.959 0.650
350 HA ARG 52 HA ARG 52 9.569 -2.153 1.224
351 HB2 ARG 52 2HB ARG 52 10.073 -3.551 3.207
352 HB3 ARG 52 1HB ARG 52 8.478 -2.833 3.292
353 HG2 ARG 52 2HG ARG 52 7.481 -4.974 2.664
354 HG3 ARG 52 1HG ARG 52 9.092 -5.691 2.552
355 HD2 ARG 52 2HD ARG 52 9.495 -5.235 4.897
356 HD3 ARG 52 1HD ARG 52 7.941 -4.424 5.035
357 HE ARG 52 HE ARG 52 7.256 -6.907 4.211
358 HH11 ARG 52 1HH1 ARG 52 9.350 -5.788 6.830
359 HH12 ARG 52 2HH1 ARG 52 8.973 -7.067 7.879
360 HH21 ARG 52 1HH2 ARG 52 6.697 -8.640 5.642
361 HH22 ARG 52 2HH2 ARG 52 7.377 -8.740 7.199
362 H GLN 53 H GLN 53 11.685 -3.004 1.125
363 HA GLN 53 HA GLN 53 11.994 -4.787 -1.076
364 HB2 GLN 53 2HB GLN 53 13.466 -2.824 -0.591
365 HB3 GLN 53 1HB GLN 53 14.138 -3.730 0.761
366 HG2 GLN 53 2HG GLN 53 14.669 -5.542 -0.946
367 HG3 GLN 53 1HG GLN 53 14.268 -4.304 -2.143
368 HE21 GLN 53 1HE2 GLN 53 15.385 -2.127 -0.648
369 HE22 GLN 53 2HE2 GLN 53 17.085 -2.252 -0.737
370 H CYS 54 H CYS 54 12.276 -6.915 -0.990
371 HA CYS 54 HA CYS 54 13.015 -8.097 1.576
372 HB2 CYS 54 2HB CYS 54 11.092 -9.184 -0.498
373 HB3 CYS 54 1HB CYS 54 11.531 -9.966 1.016
Start of MODEL 17
1 H1 ASP 1 1HT ASP 1 14.622 -1.806 -11.336
2 H2 ASP 1 2HT ASP 1 15.625 -0.885 -10.329
3 H3 ASP 1 3HT ASP 1 14.214 -1.597 -9.730
4 HA ASP 1 HA ASP 1 16.492 -3.150 -10.796
5 HB2 ASP 1 2HB ASP 1 15.667 -2.640 -7.925
6 HB3 ASP 1 1HB ASP 1 16.872 -3.816 -8.424
7 H GLY 2 H GLY 2 16.275 -5.423 -10.090
8 HA2 GLY 2 2HA GLY 2 13.541 -6.261 -10.547
9 HA3 GLY 2 1HA GLY 2 14.972 -7.284 -10.550
10 H VAL 3 H VAL 3 14.461 -5.099 -7.968
11 HA VAL 3 HA VAL 3 14.605 -7.020 -5.959
12 HB VAL 3 HB VAL 3 15.171 -4.637 -5.577
13 HG11 VAL 3 1HG1 VAL 3 13.449 -2.945 -5.225
14 HG12 VAL 3 2HG1 VAL 3 12.227 -4.089 -5.779
15 HG13 VAL 3 3HG1 VAL 3 13.487 -3.540 -6.886
16 HG21 VAL 3 3HG2 VAL 3 14.692 -5.983 -3.615
17 HG22 VAL 3 1HG2 VAL 3 12.972 -5.618 -3.757
18 HG23 VAL 3 2HG2 VAL 3 14.116 -4.334 -3.370
19 H LYS 4 H LYS 4 13.129 -8.161 -4.871
20 HA LYS 4 HA LYS 4 10.465 -8.235 -5.992
21 HB2 LYS 4 2HB LYS 4 11.798 -10.066 -3.969
22 HB3 LYS 4 1HB LYS 4 10.163 -10.272 -4.567
23 HG2 LYS 4 2HG LYS 4 11.496 -11.814 -5.765
24 HG3 LYS 4 1HG LYS 4 11.170 -10.496 -6.885
25 HD2 LYS 4 2HD LYS 4 13.401 -9.543 -6.310
26 HD3 LYS 4 1HD LYS 4 13.713 -10.972 -5.326
27 HE2 LYS 4 2HE LYS 4 14.750 -11.247 -7.478
28 HE3 LYS 4 1HE LYS 4 13.394 -12.365 -7.336
29 HZ1 LYS 4 3HZ LYS 4 13.365 -9.768 -8.760
30 HZ2 LYS 4 1HZ LYS 4 12.058 -10.836 -8.674
31 HZ3 LYS 4 2HZ LYS 4 13.450 -11.289 -9.494
32 H LEU 5 H LEU 5 8.891 -7.181 -5.136
33 HA LEU 5 HA LEU 5 9.300 -6.215 -2.413
34 HB2 LEU 5 2HB LEU 5 7.430 -5.090 -4.481
35 HB3 LEU 5 1HB LEU 5 7.799 -4.461 -2.881
36 HG LEU 5 HG LEU 5 9.784 -4.649 -5.122
37 HD11 LEU 5 1HD1 LEU 5 9.580 -2.207 -5.241
38 HD12 LEU 5 2HD1 LEU 5 8.309 -2.265 -4.020
39 HD13 LEU 5 3HD1 LEU 5 8.044 -3.001 -5.600
40 HD21 LEU 5 3HD2 LEU 5 10.836 -4.778 -2.952
41 HD22 LEU 5 1HD2 LEU 5 9.950 -3.354 -2.404
42 HD23 LEU 5 2HD2 LEU 5 11.159 -3.205 -3.679
43 H CYS 6 H CYS 6 8.039 -6.750 -0.933
44 HA CYS 6 HA CYS 6 5.784 -8.519 -1.530
45 HB2 CYS 6 2HB CYS 6 7.120 -7.945 1.122
46 HB3 CYS 6 1HB CYS 6 5.873 -9.151 0.820
47 H ASP 7 H ASP 7 3.731 -8.084 -0.818
48 HA ASP 7 HA ASP 7 3.243 -5.237 -0.396
49 HB2 ASP 7 2HB ASP 7 1.335 -7.422 -1.255
50 HB3 ASP 7 1HB ASP 7 0.911 -5.731 -1.108
51 H VAL 8 H VAL 8 2.995 -4.578 1.493
52 HA VAL 8 HA VAL 8 1.961 -6.287 3.633
53 HB VAL 8 HB VAL 8 3.461 -3.648 3.725
54 HG11 VAL 8 1HG1 VAL 8 3.745 -4.083 6.099
55 HG12 VAL 8 2HG1 VAL 8 2.727 -5.520 5.958
56 HG13 VAL 8 3HG1 VAL 8 2.039 -3.916 5.672
57 HG21 VAL 8 3HG2 VAL 8 5.358 -4.964 4.527
58 HG22 VAL 8 1HG2 VAL 8 4.861 -5.456 2.908
59 HG23 VAL 8 2HG2 VAL 8 4.424 -6.442 4.304
60 HA PRO 9 HA PRO 9 -1.909 -3.978 3.001
61 HB2 PRO 9 2HB PRO 9 -2.538 -5.169 5.637
62 HB3 PRO 9 1HB PRO 9 -3.456 -5.247 4.131
63 HG2 PRO 9 2HG PRO 9 -2.107 -7.369 5.042
64 HG3 PRO 9 1HG PRO 9 -2.209 -7.018 3.310
65 HD2 PRO 9 2HD PRO 9 0.058 -6.587 5.199
66 HD3 PRO 9 1HD PRO 9 0.074 -7.085 3.492
67 H SER 10 H SER 10 -2.144 -1.883 3.495
68 HA SER 10 HA SER 10 -0.752 -0.746 5.678
69 HB2 SER 10 2HB SER 10 -2.756 0.441 3.780
70 HB3 SER 10 1HB SER 10 -1.662 1.337 4.838
71 HG SER 10 HG SER 10 -0.053 -0.158 3.618
72 H GLY 11 H GLY 11 -1.473 -0.600 7.685
73 HA2 GLY 11 2HA GLY 11 -4.334 -0.762 8.244
74 HA3 GLY 11 1HA GLY 11 -3.024 -0.889 9.427
75 H THR 12 H THR 12 -1.704 1.403 8.012
76 HA THR 12 HA THR 12 -2.907 3.470 9.572
77 HB THR 12 HB THR 12 -0.369 3.147 9.226
78 HG1 THR 12 1HG THR 12 -1.089 5.006 10.146
79 HG21 THR 12 3HG2 THR 12 -0.984 4.556 6.627
80 HG22 THR 12 1HG2 THR 12 -0.407 2.897 6.771
81 HG23 THR 12 2HG2 THR 12 0.626 4.243 7.270
82 H TRP 13 H TRP 13 -3.453 2.210 6.569
83 HA TRP 13 HA TRP 13 -4.821 4.637 5.684
84 HB2 TRP 13 2HB TRP 13 -3.194 3.648 4.016
85 HB3 TRP 13 1HB TRP 13 -4.136 2.161 4.050
86 HD1 TRP 13 HD TRP 13 -6.725 2.367 3.039
87 HE1 TRP 13 1HE TRP 13 -7.642 3.895 1.185
88 HE3 TRP 13 3HE TRP 13 -2.947 5.829 2.853
89 HZ2 TRP 13 2HZ TRP 13 -6.865 6.218 -0.182
90 HZ3 TRP 13 3HZ TRP 13 -3.121 7.658 1.232
91 HH2 TRP 13 HH TRP 13 -5.030 7.845 -0.256
92 H SER 14 H SER 14 -7.029 4.510 5.846
93 HA SER 14 HA SER 14 -8.066 1.846 6.328
94 HB2 SER 14 2HB SER 14 -8.945 4.436 7.589
95 HB3 SER 14 1HB SER 14 -9.711 2.865 7.827
96 HG SER 14 HG SER 14 -7.136 2.545 8.187
97 H GLY 15 H GLY 15 -9.557 1.159 5.015
98 HA2 GLY 15 2HA GLY 15 -11.613 1.345 3.917
99 HA3 GLY 15 1HA GLY 15 -11.354 3.075 3.767
100 H HIS 16 H HIS 16 -11.707 3.196 1.657
101 HA HIS 16 HA HIS 16 -10.430 1.436 -0.222
102 HB2 HIS 16 2HB HIS 16 -12.723 2.000 -0.678
103 HB3 HIS 16 1HB HIS 16 -12.394 3.716 -0.510
104 HD1 HIS 16 1HD HIS 16 -12.063 0.875 -3.003
105 HD2 HIS 16 2HD HIS 16 -11.394 4.969 -2.744
106 HE1 HIS 16 1HE HIS 16 -11.580 1.649 -5.337
107 H CYS 17 H CYS 17 -8.771 1.886 -1.438
108 HA CYS 17 HA CYS 17 -7.502 4.501 -1.206
109 HB2 CYS 17 2HB CYS 17 -6.034 2.644 -0.694
110 HB3 CYS 17 1HB CYS 17 -6.451 1.860 -2.217
111 H GLY 18 H GLY 18 -7.910 5.875 -2.803
112 HA2 GLY 18 2HA GLY 18 -8.777 4.762 -5.383
113 HA3 GLY 18 1HA GLY 18 -9.156 6.374 -4.797
114 H SER 19 H SER 19 -6.025 5.815 -3.997
115 HA SER 19 HA SER 19 -4.888 6.489 -6.567
116 HB2 SER 19 2HB SER 19 -5.536 8.665 -5.679
117 HB3 SER 19 1HB SER 19 -4.714 8.300 -4.168
118 HG SER 19 HG SER 19 -3.728 9.187 -6.529
119 H SER 20 H SER 20 -3.296 5.076 -6.707
120 HA SER 20 HA SER 20 -2.086 3.894 -4.455
121 HB2 SER 20 2HB SER 20 -1.207 3.929 -7.351
122 HB3 SER 20 1HB SER 20 -0.499 2.907 -6.100
123 HG SER 20 HG SER 20 -3.275 2.880 -6.524
124 H SER 21 H SER 21 -1.376 6.808 -6.265
125 HA SER 21 HA SER 21 1.312 6.953 -5.324
126 HB2 SER 21 2HB SER 21 0.576 7.986 -7.452
127 HB3 SER 21 1HB SER 21 -0.369 9.160 -6.536
128 HG SER 21 HG SER 21 2.393 8.855 -6.006
129 H LYS 22 H LYS 22 -1.806 8.382 -4.285
130 HA LYS 22 HA LYS 22 -0.789 10.095 -2.314
131 HB2 LYS 22 2HB LYS 22 -3.374 8.542 -2.341
132 HB3 LYS 22 1HB LYS 22 -2.973 9.722 -1.112
133 HG2 LYS 22 2HG LYS 22 -2.901 11.468 -2.833
134 HG3 LYS 22 1HG LYS 22 -3.339 10.260 -4.050
135 HD2 LYS 22 2HD LYS 22 -5.410 9.778 -2.819
136 HD3 LYS 22 1HD LYS 22 -4.967 10.987 -1.621
137 HE2 LYS 22 2HE LYS 22 -5.079 12.723 -3.322
138 HE3 LYS 22 1HE LYS 22 -5.473 11.512 -4.542
139 HZ1 LYS 22 3HZ LYS 22 -7.528 11.028 -3.358
140 HZ2 LYS 22 1HZ LYS 22 -7.438 12.669 -3.704
141 HZ3 LYS 22 2HZ LYS 22 -7.130 12.135 -2.154
142 H CYS 23 H CYS 23 -1.818 6.727 -2.093
143 HA CYS 23 HA CYS 23 -1.095 6.537 0.623
144 HB2 CYS 23 2HB CYS 23 -2.726 5.008 -0.372
145 HB3 CYS 23 1HB CYS 23 -1.437 4.278 -1.337
146 H SER 24 H SER 24 0.673 6.027 -2.354
147 HA SER 24 HA SER 24 2.831 4.606 -1.316
148 HB2 SER 24 2HB SER 24 2.366 5.100 -3.763
149 HB3 SER 24 1HB SER 24 2.995 6.723 -3.439
150 HG SER 24 HG SER 24 4.376 4.672 -4.151
151 H GLN 25 H GLN 25 2.304 8.112 -1.665
152 HA GLN 25 HA GLN 25 4.766 8.744 -0.435
153 HB2 GLN 25 2HB GLN 25 2.338 10.479 -0.820
154 HB3 GLN 25 1HB GLN 25 3.940 11.030 -0.340
155 HG2 GLN 25 2HG GLN 25 4.821 10.111 -2.467
156 HG3 GLN 25 1HG GLN 25 3.157 9.788 -2.956
157 HE21 GLN 25 1HE2 GLN 25 5.150 11.525 -4.107
158 HE22 GLN 25 2HE2 GLN 25 4.467 13.112 -4.140
159 H GLN 26 H GLN 26 1.483 8.375 0.775
160 HA GLN 26 HA GLN 26 1.935 9.344 3.366
161 HB2 GLN 26 2HB GLN 26 -0.323 8.817 2.515
162 HB3 GLN 26 1HB GLN 26 0.082 7.105 2.516
163 HG2 GLN 26 2HG GLN 26 0.402 7.193 4.948
164 HG3 GLN 26 1HG GLN 26 -0.056 8.891 4.935
165 HE21 GLN 26 1HE2 GLN 26 -1.179 5.610 4.688
166 HE22 GLN 26 2HE2 GLN 26 -2.852 6.008 4.829
167 H CYS 27 H CYS 27 2.141 6.023 2.126
168 HA CYS 27 HA CYS 27 3.017 4.984 4.604
169 HB2 CYS 27 2HB CYS 27 1.832 3.654 2.848
170 HB3 CYS 27 1HB CYS 27 3.291 3.731 1.872
171 H LYS 28 H LYS 28 4.713 6.100 1.690
172 HA LYS 28 HA LYS 28 7.265 5.165 2.445
173 HB2 LYS 28 2HB LYS 28 6.650 5.889 0.162
174 HB3 LYS 28 1HB LYS 28 6.523 7.536 0.755
175 HG2 LYS 28 2HG LYS 28 8.925 7.521 1.277
176 HG3 LYS 28 1HG LYS 28 9.025 5.875 0.679
177 HD2 LYS 28 2HD LYS 28 9.761 7.441 -1.058
178 HD3 LYS 28 1HD LYS 28 8.307 6.577 -1.542
179 HE2 LYS 28 2HE LYS 28 6.944 8.536 -0.896
180 HE3 LYS 28 1HE LYS 28 8.417 9.398 -0.455
181 HZ1 LYS 28 3HZ LYS 28 7.619 9.996 -2.644
182 HZ2 LYS 28 1HZ LYS 28 7.714 8.403 -3.155
183 HZ3 LYS 28 2HZ LYS 28 9.120 9.262 -2.754
184 H ASP 29 H ASP 29 5.539 8.157 3.134
185 HA ASP 29 HA ASP 29 7.822 9.340 4.430
186 HB2 ASP 29 2HB ASP 29 6.252 10.825 3.329
187 HB3 ASP 29 1HB ASP 29 4.944 10.230 4.341
188 H ARG 30 H ARG 30 4.843 7.755 5.535
189 HA ARG 30 HA ARG 30 5.363 8.393 8.239
190 HB2 ARG 30 2HB ARG 30 3.136 8.133 7.130
191 HB3 ARG 30 1HB ARG 30 3.446 6.411 7.057
192 HG2 ARG 30 2HG ARG 30 3.485 6.245 9.391
193 HG3 ARG 30 1HG ARG 30 3.417 8.015 9.549
194 HD2 ARG 30 2HD ARG 30 1.254 6.244 8.382
195 HD3 ARG 30 1HD ARG 30 1.182 7.056 9.947
196 HE ARG 30 HE ARG 30 1.672 9.007 8.036
197 HH11 ARG 30 1HH1 ARG 30 -0.987 6.765 8.721
198 HH12 ARG 30 2HH1 ARG 30 -2.184 7.818 8.126
199 HH21 ARG 30 1HH2 ARG 30 0.057 10.384 7.187
200 HH22 ARG 30 2HH2 ARG 30 -1.582 9.931 7.194
201 H GLU 31 H GLU 31 5.731 5.511 6.199
202 HA GLU 31 HA GLU 31 6.914 4.085 8.464
203 HB2 GLU 31 2HB GLU 31 5.625 3.095 5.927
204 HB3 GLU 31 1HB GLU 31 6.373 2.040 7.127
205 HG2 GLU 31 2HG GLU 31 4.047 3.880 7.665
206 HG3 GLU 31 1HG GLU 31 3.888 2.175 7.256
207 H HIS 32 H HIS 32 8.282 2.104 6.914
208 HA HIS 32 HA HIS 32 10.513 3.769 6.035
209 HB2 HIS 32 2HB HIS 32 11.975 1.839 6.494
210 HB3 HIS 32 1HB HIS 32 11.024 2.286 7.903
211 HD1 HIS 32 1HD HIS 32 11.855 -0.577 5.763
212 HD2 HIS 32 2HD HIS 32 8.833 0.564 8.336
213 HE1 HIS 32 1HE HIS 32 10.651 -2.714 6.350
214 H PHE 33 H PHE 33 8.230 2.924 4.302
215 HA PHE 33 HA PHE 33 9.413 0.907 2.588
216 HB2 PHE 33 2HB PHE 33 6.700 2.227 2.504
217 HB3 PHE 33 1HB PHE 33 7.248 1.018 1.351
218 HD1 PHE 33 2HD PHE 33 6.419 1.604 4.883
219 HD2 PHE 33 1HD PHE 33 7.168 -1.281 1.879
220 HE1 PHE 33 2HE PHE 33 5.597 -0.153 6.386
221 HE2 PHE 33 1HE PHE 33 6.327 -3.054 3.380
222 HZ PHE 33 HZ PHE 33 5.553 -2.488 5.629
223 H ALA 34 H ALA 34 10.944 1.698 1.390
224 HA ALA 34 HA ALA 34 11.189 4.310 0.404
225 HB1 ALA 34 1HB ALA 34 13.062 2.720 0.624
226 HB2 ALA 34 2HB ALA 34 12.977 3.437 -0.984
227 HB3 ALA 34 3HB ALA 34 12.405 1.791 -0.721
228 H TYR 35 H TYR 35 9.657 1.493 -0.870
229 HA TYR 35 HA TYR 35 9.180 2.770 -3.442
230 HB2 TYR 35 2HB TYR 35 8.593 -0.049 -2.500
231 HB3 TYR 35 1HB TYR 35 8.359 0.545 -4.146
232 HD1 TYR 35 2HD TYR 35 10.328 1.246 -5.479
233 HD2 TYR 35 1HD TYR 35 10.773 -0.697 -1.736
234 HE1 TYR 35 2HE TYR 35 12.674 0.785 -6.008
235 HE2 TYR 35 1HE TYR 35 13.138 -1.151 -2.259
236 HH TYR 35 HH TYR 35 14.758 0.437 -4.593
237 H GLY 36 H GLY 36 7.874 3.070 -0.593
238 HA2 GLY 36 2HA GLY 36 5.890 3.763 0.216
239 HA3 GLY 36 1HA GLY 36 5.449 4.121 -1.448
240 H GLY 37 H GLY 37 3.662 3.208 -2.007
241 HA2 GLY 37 2HA GLY 37 3.216 0.431 -1.549
242 HA3 GLY 37 1HA GLY 37 2.117 1.499 -0.667
243 H ALA 38 H ALA 38 1.138 -0.193 -2.496
244 HA ALA 38 HA ALA 38 0.097 1.681 -4.437
245 HB1 ALA 38 1HB ALA 38 1.784 0.417 -5.682
246 HB2 ALA 38 2HB ALA 38 0.164 -0.054 -6.201
247 HB3 ALA 38 3HB ALA 38 1.085 -1.101 -5.127
248 H CYS 39 H CYS 39 -2.011 0.767 -5.281
249 HA CYS 39 HA CYS 39 -3.172 -0.623 -3.004
250 HB2 CYS 39 2HB CYS 39 -4.482 1.376 -4.845
251 HB3 CYS 39 1HB CYS 39 -5.196 0.655 -3.393
252 H HIS 40 H HIS 40 -4.497 -2.293 -3.247
253 HA HIS 40 HA HIS 40 -4.867 -3.414 -5.940
254 HB2 HIS 40 2HB HIS 40 -2.747 -4.288 -4.868
255 HB3 HIS 40 1HB HIS 40 -3.721 -4.900 -3.549
256 HD1 HIS 40 1HD HIS 40 -5.344 -7.015 -4.199
257 HD2 HIS 40 2HD HIS 40 -2.540 -5.857 -7.050
258 HE1 HIS 40 1HE HIS 40 -5.081 -8.973 -5.739
259 H TYR 41 H TYR 41 -6.590 -5.030 -5.908
260 HA TYR 41 HA TYR 41 -8.640 -4.326 -4.073
261 HB2 TYR 41 2HB TYR 41 -9.289 -4.753 -6.348
262 HB3 TYR 41 1HB TYR 41 -8.592 -6.368 -6.293
263 HD1 TYR 41 2HD TYR 41 -11.160 -4.328 -4.452
264 HD2 TYR 41 1HD TYR 41 -10.039 -8.151 -5.962
265 HE1 TYR 41 2HE TYR 41 -13.290 -5.249 -3.692
266 HE2 TYR 41 1HE TYR 41 -12.154 -9.077 -5.216
267 HH TYR 41 HH TYR 41 -13.881 -8.669 -3.703
268 H GLN 42 H GLN 42 -9.419 -5.299 -2.422
269 HA GLN 42 HA GLN 42 -8.976 -8.057 -1.879
270 HB2 GLN 42 2HB GLN 42 -7.110 -6.960 -0.681
271 HB3 GLN 42 1HB GLN 42 -8.236 -5.822 0.042
272 HG2 GLN 42 2HG GLN 42 -9.303 -7.588 1.266
273 HG3 GLN 42 1HG GLN 42 -8.301 -8.798 0.484
274 HE21 GLN 42 1HE2 GLN 42 -8.594 -8.178 3.296
275 HE22 GLN 42 2HE2 GLN 42 -7.036 -7.745 3.879
276 H PHE 43 H PHE 43 -10.829 -8.778 -0.854
277 HA PHE 43 HA PHE 43 -13.064 -7.133 -1.044
278 HB2 PHE 43 2HB PHE 43 -13.178 -9.601 -1.129
279 HB3 PHE 43 1HB PHE 43 -12.768 -9.677 0.581
280 HD1 PHE 43 2HD PHE 43 -15.342 -8.536 -1.822
281 HD2 PHE 43 1HD PHE 43 -14.456 -9.484 2.241
282 HE1 PHE 43 2HE PHE 43 -17.721 -8.385 -1.269
283 HE2 PHE 43 1HE PHE 43 -16.839 -9.332 2.793
284 HZ PHE 43 HZ PHE 43 -18.480 -8.780 1.038
285 HA PRO 44 HA PRO 44 -14.777 -6.435 -0.368
286 HB2 PRO 44 2HB PRO 44 -16.267 -4.510 0.613
287 HB3 PRO 44 1HB PRO 44 -16.220 -6.096 1.387
288 HG2 PRO 44 2HG PRO 44 -14.909 -3.549 2.227
289 HG3 PRO 44 1HG PRO 44 -15.623 -4.822 3.229
290 HD2 PRO 44 2HD PRO 44 -12.885 -4.507 2.616
291 HD3 PRO 44 1HD PRO 44 -13.638 -5.930 3.354
292 H SER 45 H SER 45 -12.517 -3.931 0.541
293 HA SER 45 HA SER 45 -13.236 -2.483 -1.896
294 HB2 SER 45 2HB SER 45 -12.416 -1.195 0.714
295 HB3 SER 45 1HB SER 45 -12.850 -0.360 -0.774
296 HG SER 45 HG SER 45 -14.861 -1.949 -0.280
297 H VAL 46 H VAL 46 -11.515 -1.512 -3.002
298 HA VAL 46 HA VAL 46 -9.009 -2.719 -3.016
299 HB VAL 46 HB VAL 46 -9.734 0.063 -4.002
300 HG11 VAL 46 1HG1 VAL 46 -7.806 -0.157 -5.509
301 HG12 VAL 46 2HG1 VAL 46 -7.390 -1.690 -4.745
302 HG13 VAL 46 3HG1 VAL 46 -7.317 -0.195 -3.815
303 HG21 VAL 46 3HG2 VAL 46 -11.126 -1.663 -5.010
304 HG22 VAL 46 1HG2 VAL 46 -9.687 -2.581 -5.453
305 HG23 VAL 46 2HG2 VAL 46 -9.992 -1.012 -6.195
306 H LYS 47 H LYS 47 -7.392 -2.618 -1.668
307 HA LYS 47 HA LYS 47 -7.294 -0.396 0.253
308 HB2 LYS 47 2HB LYS 47 -7.982 -2.555 1.250
309 HB3 LYS 47 1HB LYS 47 -6.506 -3.295 0.658
310 HG2 LYS 47 2HG LYS 47 -5.170 -1.891 2.110
311 HG3 LYS 47 1HG LYS 47 -6.606 -1.020 2.636
312 HD2 LYS 47 2HD LYS 47 -6.152 -3.962 3.037
313 HD3 LYS 47 1HD LYS 47 -5.777 -2.728 4.248
314 HE2 LYS 47 2HE LYS 47 -8.177 -2.034 4.166
315 HE3 LYS 47 1HE LYS 47 -8.483 -3.389 3.085
316 HZ1 LYS 47 3HZ LYS 47 -7.453 -3.596 5.853
317 HZ2 LYS 47 1HZ LYS 47 -7.804 -4.907 4.850
318 HZ3 LYS 47 2HZ LYS 47 -9.039 -3.889 5.383
319 H CYS 48 H CYS 48 -5.083 -0.031 1.096
320 HA CYS 48 HA CYS 48 -3.218 -0.046 -1.112
321 HB2 CYS 48 2HB CYS 48 -3.676 2.057 0.023
322 HB3 CYS 48 1HB CYS 48 -3.136 1.354 1.545
323 H PHE 49 H PHE 49 -1.258 -0.993 -1.022
324 HA PHE 49 HA PHE 49 -0.551 -2.513 1.359
325 HB2 PHE 49 2HB PHE 49 -0.365 -3.501 -1.508
326 HB3 PHE 49 1HB PHE 49 0.215 -4.322 -0.056
327 HD1 PHE 49 1HD PHE 49 -2.777 -3.274 -1.911
328 HD2 PHE 49 2HD PHE 49 -1.243 -5.529 1.332
329 HE1 PHE 49 1HE PHE 49 -4.977 -4.345 -1.634
330 HE2 PHE 49 2HE PHE 49 -3.443 -6.606 1.620
331 HZ PHE 49 HZ PHE 49 -5.299 -6.015 0.148
332 H CYS 50 H CYS 50 1.341 -1.885 1.984
333 HA CYS 50 HA CYS 50 2.998 -0.184 0.379
334 HB2 CYS 50 2HB CYS 50 3.399 -1.336 3.138
335 HB3 CYS 50 1HB CYS 50 4.396 -0.088 2.398
336 H LYS 51 H LYS 51 5.117 -0.683 -0.288
337 HA LYS 51 HA LYS 51 5.406 -3.579 -0.713
338 HB2 LYS 51 2HB LYS 51 6.429 -1.358 -2.487
339 HB3 LYS 51 1HB LYS 51 6.389 -3.075 -2.854
340 HG2 LYS 51 2HG LYS 51 3.936 -3.035 -2.822
341 HG3 LYS 51 1HG LYS 51 3.972 -1.310 -2.474
342 HD2 LYS 51 2HD LYS 51 3.576 -1.492 -4.797
343 HD3 LYS 51 1HD LYS 51 5.277 -1.055 -4.641
344 HE2 LYS 51 2HE LYS 51 5.114 -2.764 -6.291
345 HE3 LYS 51 1HE LYS 51 5.835 -3.486 -4.856
346 HZ1 LYS 51 3HZ LYS 51 3.031 -3.770 -5.792
347 HZ2 LYS 51 1HZ LYS 51 3.552 -4.392 -4.304
348 HZ3 LYS 51 2HZ LYS 51 4.213 -4.962 -5.731
349 H ARG 52 H ARG 52 6.876 -4.332 0.640
350 HA ARG 52 HA ARG 52 9.270 -2.729 1.246
351 HB2 ARG 52 2HB ARG 52 9.754 -4.340 3.019
352 HB3 ARG 52 1HB ARG 52 8.153 -3.665 3.218
353 HG2 ARG 52 2HG ARG 52 7.159 -5.691 2.343
354 HG3 ARG 52 1HG ARG 52 8.757 -6.345 1.985
355 HD2 ARG 52 2HD ARG 52 9.291 -6.260 4.397
356 HD3 ARG 52 1HD ARG 52 7.651 -5.696 4.711
357 HE ARG 52 HE ARG 52 6.815 -7.797 3.949
358 HH11 ARG 52 1HH1 ARG 52 10.323 -7.726 4.513
359 HH12 ARG 52 2HH1 ARG 52 10.466 -9.416 4.640
360 HH21 ARG 52 1HH2 ARG 52 7.033 -10.116 4.164
361 HH22 ARG 52 2HH2 ARG 52 8.578 -10.785 4.419
362 H GLN 53 H GLN 53 11.382 -3.745 1.264
363 HA GLN 53 HA GLN 53 11.902 -5.173 -1.153
364 HB2 GLN 53 2HB GLN 53 13.711 -4.344 1.102
365 HB3 GLN 53 1HB GLN 53 14.214 -4.913 -0.478
366 HG2 GLN 53 2HG GLN 53 13.244 -2.989 -1.516
367 HG3 GLN 53 1HG GLN 53 12.648 -2.395 0.033
368 HE21 GLN 53 1HE2 GLN 53 13.826 -0.531 0.056
369 HE22 GLN 53 2HE2 GLN 53 15.546 -0.474 0.163
370 H CYS 54 H CYS 54 11.736 -7.345 -1.226
371 HA CYS 54 HA CYS 54 12.544 -8.832 1.139
372 HB2 CYS 54 2HB CYS 54 10.721 -9.627 -1.141
373 HB3 CYS 54 1HB CYS 54 11.237 -10.716 0.146
Start of MODEL 18
1 H1 ASP 1 1HT ASP 1 9.333 -5.236 -11.052
2 H2 ASP 1 2HT ASP 1 10.101 -6.524 -10.262
3 H3 ASP 1 3HT ASP 1 10.439 -6.213 -11.872
4 HA ASP 1 HA ASP 1 11.520 -4.205 -11.366
5 HB2 ASP 1 2HB ASP 1 10.771 -4.868 -8.502
6 HB3 ASP 1 1HB ASP 1 11.879 -3.584 -8.971
7 H GLY 2 H GLY 2 13.650 -4.198 -9.805
8 HA2 GLY 2 2HA GLY 2 14.925 -6.739 -10.362
9 HA3 GLY 2 1HA GLY 2 15.704 -5.284 -9.738
10 H VAL 3 H VAL 3 14.090 -4.755 -7.613
11 HA VAL 3 HA VAL 3 14.920 -6.782 -5.722
12 HB VAL 3 HB VAL 3 13.496 -4.118 -5.306
13 HG11 VAL 3 1HG1 VAL 3 14.775 -5.925 -3.254
14 HG12 VAL 3 2HG1 VAL 3 13.041 -5.689 -3.473
15 HG13 VAL 3 3HG1 VAL 3 14.056 -4.344 -2.949
16 HG21 VAL 3 3HG2 VAL 3 16.368 -4.880 -4.866
17 HG22 VAL 3 1HG2 VAL 3 15.642 -3.323 -4.480
18 HG23 VAL 3 2HG2 VAL 3 15.761 -3.850 -6.167
19 H LYS 4 H LYS 4 13.504 -8.105 -4.621
20 HA LYS 4 HA LYS 4 10.890 -8.387 -5.784
21 HB2 LYS 4 2HB LYS 4 12.310 -9.974 -3.628
22 HB3 LYS 4 1HB LYS 4 10.654 -10.280 -4.100
23 HG2 LYS 4 2HG LYS 4 12.004 -11.898 -5.193
24 HG3 LYS 4 1HG LYS 4 11.491 -10.740 -6.412
25 HD2 LYS 4 2HD LYS 4 13.666 -9.657 -6.331
26 HD3 LYS 4 1HD LYS 4 14.175 -10.749 -5.044
27 HE2 LYS 4 2HE LYS 4 15.081 -11.509 -7.150
28 HE3 LYS 4 1HE LYS 4 13.880 -12.657 -6.575
29 HZ1 LYS 4 3HZ LYS 4 12.272 -11.618 -8.137
30 HZ2 LYS 4 1HZ LYS 4 13.613 -12.267 -8.925
31 HZ3 LYS 4 2HZ LYS 4 13.483 -10.616 -8.701
32 H LEU 5 H LEU 5 9.270 -7.269 -5.092
33 HA LEU 5 HA LEU 5 9.347 -6.296 -2.343
34 HB2 LEU 5 2HB LEU 5 7.651 -5.155 -4.568
35 HB3 LEU 5 1HB LEU 5 7.964 -4.554 -2.953
36 HG LEU 5 HG LEU 5 10.125 -4.770 -5.011
37 HD11 LEU 5 1HD1 LEU 5 9.878 -2.346 -5.296
38 HD12 LEU 5 2HD1 LEU 5 8.466 -2.370 -4.240
39 HD13 LEU 5 3HD1 LEU 5 8.420 -3.206 -5.793
40 HD21 LEU 5 3HD2 LEU 5 11.290 -3.222 -3.493
41 HD22 LEU 5 1HD2 LEU 5 10.898 -4.756 -2.718
42 HD23 LEU 5 2HD2 LEU 5 9.932 -3.322 -2.373
43 H CYS 6 H CYS 6 7.814 -6.760 -1.062
44 HA CYS 6 HA CYS 6 5.701 -8.567 -2.008
45 HB2 CYS 6 2HB CYS 6 6.632 -8.115 0.831
46 HB3 CYS 6 1HB CYS 6 5.612 -9.417 0.230
47 H ASP 7 H ASP 7 3.642 -7.900 -1.837
48 HA ASP 7 HA ASP 7 3.119 -5.162 -1.151
49 HB2 ASP 7 2HB ASP 7 1.211 -7.390 -1.921
50 HB3 ASP 7 1HB ASP 7 0.777 -5.693 -1.800
51 H VAL 8 H VAL 8 3.008 -4.601 0.900
52 HA VAL 8 HA VAL 8 1.834 -6.496 2.780
53 HB VAL 8 HB VAL 8 4.136 -5.817 3.369
54 HG11 VAL 8 1HG1 VAL 8 4.258 -3.624 2.394
55 HG12 VAL 8 2HG1 VAL 8 4.697 -3.562 4.103
56 HG13 VAL 8 3HG1 VAL 8 3.105 -3.011 3.578
57 HG21 VAL 8 3HG2 VAL 8 2.111 -4.699 5.286
58 HG22 VAL 8 1HG2 VAL 8 3.800 -5.041 5.654
59 HG23 VAL 8 2HG2 VAL 8 2.708 -6.367 5.225
60 HA PRO 9 HA PRO 9 -1.917 -4.102 2.705
61 HB2 PRO 9 2HB PRO 9 -2.119 -5.236 5.459
62 HB3 PRO 9 1HB PRO 9 -3.318 -5.229 4.160
63 HG2 PRO 9 2HG PRO 9 -1.991 -7.446 4.727
64 HG3 PRO 9 1HG PRO 9 -2.309 -6.994 3.043
65 HD2 PRO 9 2HD PRO 9 0.225 -6.803 4.605
66 HD3 PRO 9 1HD PRO 9 -0.034 -7.200 2.891
67 H SER 10 H SER 10 -1.798 -1.967 3.010
68 HA SER 10 HA SER 10 -0.179 -0.818 5.033
69 HB2 SER 10 2HB SER 10 -0.492 0.188 2.790
70 HB3 SER 10 1HB SER 10 -2.188 0.459 3.166
71 HG SER 10 HG SER 10 -0.158 1.978 3.604
72 H GLY 11 H GLY 11 -0.838 -1.032 7.081
73 HA2 GLY 11 2HA GLY 11 -3.576 -1.049 7.877
74 HA3 GLY 11 1HA GLY 11 -2.177 -0.954 8.947
75 H THR 12 H THR 12 -1.151 1.332 7.380
76 HA THR 12 HA THR 12 -2.293 3.431 8.827
77 HB THR 12 HB THR 12 -0.919 4.791 7.038
78 HG1 THR 12 1HG THR 12 -0.694 2.776 5.669
79 HG21 THR 12 3HG2 THR 12 1.147 4.334 8.287
80 HG22 THR 12 1HG2 THR 12 0.399 2.908 9.000
81 HG23 THR 12 2HG2 THR 12 -0.230 4.515 9.372
82 H TRP 13 H TRP 13 -3.047 2.034 5.741
83 HA TRP 13 HA TRP 13 -4.535 4.379 4.891
84 HB2 TRP 13 2HB TRP 13 -3.182 3.041 3.273
85 HB3 TRP 13 1HB TRP 13 -4.269 1.685 3.555
86 HD1 TRP 13 HD TRP 13 -6.691 1.793 2.411
87 HE1 TRP 13 1HE TRP 13 -7.668 3.320 0.588
88 HE3 TRP 13 3HE TRP 13 -3.095 5.423 2.349
89 HZ2 TRP 13 2HZ TRP 13 -7.013 5.705 -0.703
90 HZ3 TRP 13 3HZ TRP 13 -3.348 7.289 0.791
91 HH2 TRP 13 HH TRP 13 -5.271 7.430 -0.713
92 H SER 14 H SER 14 -6.764 4.454 4.804
93 HA SER 14 HA SER 14 -8.177 2.154 5.938
94 HB2 SER 14 2HB SER 14 -8.778 5.071 6.475
95 HB3 SER 14 1HB SER 14 -9.559 3.672 7.216
96 HG SER 14 HG SER 14 -7.308 3.133 7.911
97 H GLY 15 H GLY 15 -9.416 1.381 4.310
98 HA2 GLY 15 2HA GLY 15 -11.494 1.641 3.187
99 HA3 GLY 15 1HA GLY 15 -11.088 3.324 2.903
100 H HIS 16 H HIS 16 -11.572 3.070 0.766
101 HA HIS 16 HA HIS 16 -10.227 1.174 -0.906
102 HB2 HIS 16 2HB HIS 16 -12.452 1.750 -1.544
103 HB3 HIS 16 1HB HIS 16 -12.115 3.467 -1.468
104 HD1 HIS 16 1HD HIS 16 -11.836 0.485 -3.788
105 HD2 HIS 16 2HD HIS 16 -10.915 4.545 -3.744
106 HE1 HIS 16 1HE HIS 16 -11.230 1.099 -6.144
107 H CYS 17 H CYS 17 -8.477 1.414 -2.021
108 HA CYS 17 HA CYS 17 -6.896 3.832 -1.787
109 HB2 CYS 17 2HB CYS 17 -5.907 1.521 -1.551
110 HB3 CYS 17 1HB CYS 17 -6.244 1.273 -3.255
111 H GLY 18 H GLY 18 -7.898 5.317 -3.059
112 HA2 GLY 18 2HA GLY 18 -8.231 4.622 -5.885
113 HA3 GLY 18 1HA GLY 18 -8.985 5.999 -5.086
114 H SER 19 H SER 19 -6.681 6.807 -3.675
115 HA SER 19 HA SER 19 -5.216 8.044 -5.827
116 HB2 SER 19 2HB SER 19 -5.237 8.570 -2.860
117 HB3 SER 19 1HB SER 19 -4.371 9.533 -4.059
118 HG SER 19 HG SER 19 -7.007 9.135 -4.657
119 H SER 20 H SER 20 -3.723 6.578 -6.525
120 HA SER 20 HA SER 20 -2.340 4.724 -4.971
121 HB2 SER 20 2HB SER 20 -1.510 5.939 -7.608
122 HB3 SER 20 1HB SER 20 -1.042 4.358 -6.972
123 HG SER 20 HG SER 20 -3.299 3.822 -6.988
124 H SER 21 H SER 21 -1.575 8.057 -5.882
125 HA SER 21 HA SER 21 1.099 8.027 -5.018
126 HB2 SER 21 2HB SER 21 -0.809 10.339 -5.310
127 HB3 SER 21 1HB SER 21 0.949 10.440 -5.266
128 HG SER 21 HG SER 21 -0.143 10.379 -7.397
129 H LYS 22 H LYS 22 -1.951 8.764 -3.416
130 HA LYS 22 HA LYS 22 -0.668 9.701 -1.043
131 HB2 LYS 22 2HB LYS 22 -3.517 8.825 -1.505
132 HB3 LYS 22 1HB LYS 22 -2.926 9.409 0.042
133 HG2 LYS 22 2HG LYS 22 -2.295 11.534 -1.066
134 HG3 LYS 22 1HG LYS 22 -3.059 10.940 -2.541
135 HD2 LYS 22 2HD LYS 22 -5.195 10.789 -1.430
136 HD3 LYS 22 1HD LYS 22 -4.464 11.230 0.115
137 HE2 LYS 22 2HE LYS 22 -4.619 12.979 -2.342
138 HE3 LYS 22 1HE LYS 22 -5.616 13.133 -0.897
139 HZ1 LYS 22 3HZ LYS 22 -2.664 13.457 -1.013
140 HZ2 LYS 22 1HZ LYS 22 -3.596 13.612 0.381
141 HZ3 LYS 22 2HZ LYS 22 -3.772 14.699 -0.896
142 H CYS 23 H CYS 23 -1.921 6.649 -2.154
143 HA CYS 23 HA CYS 23 -1.751 5.050 0.078
144 HB2 CYS 23 2HB CYS 23 -2.602 4.173 -1.974
145 HB3 CYS 23 1HB CYS 23 -1.106 4.520 -2.820
146 H SER 24 H SER 24 0.829 5.650 -2.296
147 HA SER 24 HA SER 24 2.792 4.274 -0.886
148 HB2 SER 24 2HB SER 24 4.262 5.586 -2.491
149 HB3 SER 24 1HB SER 24 3.061 4.478 -3.179
150 HG SER 24 HG SER 24 2.290 6.103 -4.178
151 H GLN 25 H GLN 25 2.183 7.730 -1.320
152 HA GLN 25 HA GLN 25 4.360 8.694 0.097
153 HB2 GLN 25 2HB GLN 25 2.977 10.043 -1.422
154 HB3 GLN 25 1HB GLN 25 1.663 9.989 -0.263
155 HG2 GLN 25 2HG GLN 25 2.928 11.282 1.312
156 HG3 GLN 25 1HG GLN 25 4.352 11.223 0.272
157 HE21 GLN 25 1HE2 GLN 25 4.350 12.377 -1.620
158 HE22 GLN 25 2HE2 GLN 25 3.300 13.711 -1.913
159 H GLN 26 H GLN 26 1.089 7.930 1.269
160 HA GLN 26 HA GLN 26 1.448 9.090 3.813
161 HB2 GLN 26 2HB GLN 26 -0.756 8.549 2.860
162 HB3 GLN 26 1HB GLN 26 -0.400 6.844 3.041
163 HG2 GLN 26 2HG GLN 26 -0.247 7.112 5.454
164 HG3 GLN 26 1HG GLN 26 -0.603 8.827 5.292
165 HE21 GLN 26 1HE2 GLN 26 -2.015 6.810 6.722
166 HE22 GLN 26 2HE2 GLN 26 -3.614 6.746 6.101
167 H CYS 27 H CYS 27 1.838 5.656 2.846
168 HA CYS 27 HA CYS 27 2.509 5.147 5.583
169 HB2 CYS 27 2HB CYS 27 2.882 2.810 5.014
170 HB3 CYS 27 1HB CYS 27 1.371 3.371 4.332
171 H LYS 28 H LYS 28 4.269 5.754 2.696
172 HA LYS 28 HA LYS 28 6.859 5.110 3.610
173 HB2 LYS 28 2HB LYS 28 6.396 5.308 1.283
174 HB3 LYS 28 1HB LYS 28 5.751 6.920 1.480
175 HG2 LYS 28 2HG LYS 28 7.985 7.775 1.880
176 HG3 LYS 28 1HG LYS 28 8.638 6.134 1.775
177 HD2 LYS 28 2HD LYS 28 8.008 5.924 -0.510
178 HD3 LYS 28 1HD LYS 28 7.045 7.398 -0.448
179 HE2 LYS 28 2HE LYS 28 8.954 8.729 -0.223
180 HE3 LYS 28 1HE LYS 28 10.024 7.332 -0.027
181 HZ1 LYS 28 3HZ LYS 28 9.538 6.714 -2.336
182 HZ2 LYS 28 1HZ LYS 28 10.150 8.275 -2.246
183 HZ3 LYS 28 2HZ LYS 28 8.510 8.049 -2.512
184 H ASP 29 H ASP 29 4.967 8.114 3.610
185 HA ASP 29 HA ASP 29 6.869 9.823 4.766
186 HB2 ASP 29 2HB ASP 29 4.792 10.595 3.659
187 HB3 ASP 29 1HB ASP 29 3.851 9.906 4.970
188 H ARG 30 H ARG 30 4.366 7.717 6.170
189 HA ARG 30 HA ARG 30 4.741 8.371 8.802
190 HB2 ARG 30 2HB ARG 30 2.820 7.114 8.003
191 HB3 ARG 30 1HB ARG 30 3.864 5.829 7.455
192 HG2 ARG 30 2HG ARG 30 2.668 5.275 9.469
193 HG3 ARG 30 1HG ARG 30 4.434 5.252 9.638
194 HD2 ARG 30 2HD ARG 30 3.327 6.267 11.620
195 HD3 ARG 30 1HD ARG 30 4.389 7.390 10.776
196 HE ARG 30 HE ARG 30 1.935 7.836 9.704
197 HH11 ARG 30 1HH1 ARG 30 3.287 7.910 12.969
198 HH12 ARG 30 2HH1 ARG 30 2.207 9.100 13.543
199 HH21 ARG 30 1HH2 ARG 30 0.446 9.462 10.483
200 HH22 ARG 30 2HH2 ARG 30 0.532 10.007 12.084
201 H GLU 31 H GLU 31 5.762 5.227 7.521
202 HA GLU 31 HA GLU 31 8.469 5.206 8.055
203 HB2 GLU 31 2HB GLU 31 6.824 4.379 10.452
204 HB3 GLU 31 1HB GLU 31 8.331 3.561 10.110
205 HG2 GLU 31 2HG GLU 31 9.514 5.691 10.328
206 HG3 GLU 31 1HG GLU 31 7.970 6.485 10.650
207 H HIS 32 H HIS 32 8.128 4.042 6.090
208 HA HIS 32 HA HIS 32 7.695 1.266 6.674
209 HB2 HIS 32 2HB HIS 32 6.020 2.714 4.624
210 HB3 HIS 32 1HB HIS 32 6.389 1.010 4.426
211 HD1 HIS 32 1HD HIS 32 4.521 3.358 6.699
212 HD2 HIS 32 2HD HIS 32 4.887 -0.702 5.963
213 HE1 HIS 32 1HE HIS 32 2.659 2.229 8.038
214 H PHE 33 H PHE 33 7.829 2.551 3.416
215 HA PHE 33 HA PHE 33 10.594 1.736 3.181
216 HB2 PHE 33 2HB PHE 33 8.353 0.418 1.592
217 HB3 PHE 33 1HB PHE 33 10.074 0.194 1.295
218 HD1 PHE 33 2HD PHE 33 11.470 -0.952 2.982
219 HD2 PHE 33 1HD PHE 33 7.204 -0.818 3.348
220 HE1 PHE 33 2HE PHE 33 11.542 -2.742 4.664
221 HE2 PHE 33 1HE PHE 33 7.300 -2.575 5.036
222 HZ PHE 33 HZ PHE 33 9.458 -3.544 5.697
223 H ALA 34 H ALA 34 11.575 2.657 1.402
224 HA ALA 34 HA ALA 34 10.548 5.139 0.539
225 HB1 ALA 34 1HB ALA 34 12.942 4.678 0.744
226 HB2 ALA 34 2HB ALA 34 12.532 5.273 -0.867
227 HB3 ALA 34 3HB ALA 34 12.833 3.552 -0.608
228 H TYR 35 H TYR 35 10.198 2.002 -0.679
229 HA TYR 35 HA TYR 35 9.651 2.545 -3.403
230 HB2 TYR 35 2HB TYR 35 8.775 0.242 -1.648
231 HB3 TYR 35 1HB TYR 35 8.571 0.300 -3.394
232 HD1 TYR 35 2HD TYR 35 10.494 0.149 -4.857
233 HD2 TYR 35 1HD TYR 35 10.933 -0.216 -0.657
234 HE1 TYR 35 2HE TYR 35 12.740 -0.800 -5.185
235 HE2 TYR 35 1HE TYR 35 13.174 -1.161 -0.955
236 HH TYR 35 HH TYR 35 14.811 -1.088 -3.957
237 H GLY 36 H GLY 36 7.814 2.903 -0.496
238 HA2 GLY 36 2HA GLY 36 5.793 3.931 -0.217
239 HA3 GLY 36 1HA GLY 36 5.679 4.099 -1.967
240 H GLY 37 H GLY 37 4.075 2.982 -2.872
241 HA2 GLY 37 2HA GLY 37 3.516 0.318 -2.287
242 HA3 GLY 37 1HA GLY 37 2.416 1.375 -1.401
243 H ALA 38 H ALA 38 1.075 -0.037 -2.909
244 HA ALA 38 HA ALA 38 0.203 1.680 -5.053
245 HB1 ALA 38 1HB ALA 38 0.175 -0.157 -6.698
246 HB2 ALA 38 2HB ALA 38 1.026 -1.183 -5.541
247 HB3 ALA 38 3HB ALA 38 1.816 0.250 -6.194
248 H CYS 39 H CYS 39 -1.897 0.877 -5.877
249 HA CYS 39 HA CYS 39 -3.505 -0.034 -3.661
250 HB2 CYS 39 2HB CYS 39 -4.286 0.789 -6.459
251 HB3 CYS 39 1HB CYS 39 -5.393 0.556 -5.115
252 H HIS 40 H HIS 40 -4.252 -2.066 -3.434
253 HA HIS 40 HA HIS 40 -4.355 -3.881 -5.720
254 HB2 HIS 40 2HB HIS 40 -2.126 -4.130 -4.675
255 HB3 HIS 40 1HB HIS 40 -2.876 -4.401 -3.119
256 HD1 HIS 40 1HD HIS 40 -2.353 -6.070 -6.461
257 HD2 HIS 40 2HD HIS 40 -3.568 -6.960 -2.596
258 HE1 HIS 40 1HE HIS 40 -2.413 -8.588 -6.320
259 H TYR 41 H TYR 41 -5.959 -5.549 -5.374
260 HA TYR 41 HA TYR 41 -7.988 -4.657 -3.473
261 HB2 TYR 41 2HB TYR 41 -8.409 -5.245 -5.969
262 HB3 TYR 41 1HB TYR 41 -8.353 -6.914 -5.421
263 HD1 TYR 41 2HD TYR 41 -9.955 -7.339 -3.236
264 HD2 TYR 41 1HD TYR 41 -10.482 -4.271 -6.128
265 HE1 TYR 41 2HE TYR 41 -12.301 -7.154 -2.601
266 HE2 TYR 41 1HE TYR 41 -12.825 -4.070 -5.498
267 HH TYR 41 HH TYR 41 -14.081 -5.363 -2.693
268 H GLN 42 H GLN 42 -8.347 -5.512 -1.606
269 HA GLN 42 HA GLN 42 -7.975 -8.366 -1.317
270 HB2 GLN 42 2HB GLN 42 -5.990 -7.472 -0.296
271 HB3 GLN 42 1HB GLN 42 -6.939 -6.379 0.712
272 HG2 GLN 42 2HG GLN 42 -7.918 -8.266 1.869
273 HG3 GLN 42 1HG GLN 42 -7.070 -9.396 0.825
274 HE21 GLN 42 1HE2 GLN 42 -7.028 -9.073 3.696
275 HE22 GLN 42 2HE2 GLN 42 -5.365 -8.827 4.132
276 H PHE 43 H PHE 43 -8.845 -6.081 1.005
277 HA PHE 43 HA PHE 43 -11.626 -6.779 0.808
278 HB2 PHE 43 2HB PHE 43 -10.643 -8.684 2.068
279 HB3 PHE 43 1HB PHE 43 -10.080 -7.563 3.296
280 HD1 PHE 43 1HD PHE 43 -13.074 -9.034 1.736
281 HD2 PHE 43 2HD PHE 43 -11.536 -6.827 5.035
282 HE1 PHE 43 1HE PHE 43 -15.210 -9.315 2.917
283 HE2 PHE 43 2HE PHE 43 -13.671 -7.104 6.216
284 HZ PHE 43 HZ PHE 43 -15.510 -8.348 5.161
285 HA PRO 44 HA PRO 44 -13.366 -6.192 1.392
286 HB2 PRO 44 2HB PRO 44 -15.078 -3.900 1.497
287 HB3 PRO 44 1HB PRO 44 -15.114 -5.307 2.559
288 HG2 PRO 44 2HG PRO 44 -14.440 -2.746 3.372
289 HG3 PRO 44 1HG PRO 44 -13.968 -4.229 4.218
290 HD2 PRO 44 2HD PRO 44 -12.385 -2.543 2.316
291 HD3 PRO 44 1HD PRO 44 -11.860 -3.349 3.811
292 H SER 45 H SER 45 -11.756 -3.443 0.501
293 HA SER 45 HA SER 45 -12.868 -3.317 -2.209
294 HB2 SER 45 2HB SER 45 -12.062 -1.028 -0.406
295 HB3 SER 45 1HB SER 45 -12.664 -0.856 -2.046
296 HG SER 45 HG SER 45 -14.558 -2.034 -1.216
297 H VAL 46 H VAL 46 -11.193 -1.863 -3.515
298 HA VAL 46 HA VAL 46 -8.617 -2.929 -3.505
299 HB VAL 46 HB VAL 46 -9.389 -0.109 -4.362
300 HG11 VAL 46 1HG1 VAL 46 -7.060 -1.828 -5.205
301 HG12 VAL 46 2HG1 VAL 46 -6.978 -0.467 -4.098
302 HG13 VAL 46 3HG1 VAL 46 -7.422 -0.202 -5.790
303 HG21 VAL 46 3HG2 VAL 46 -9.240 -2.620 -6.010
304 HG22 VAL 46 1HG2 VAL 46 -9.616 -1.009 -6.608
305 HG23 VAL 46 2HG2 VAL 46 -10.733 -1.825 -5.505
306 H LYS 47 H LYS 47 -6.958 -2.654 -2.128
307 HA LYS 47 HA LYS 47 -7.232 -0.591 -0.060
308 HB2 LYS 47 2HB LYS 47 -7.700 -2.883 0.716
309 HB3 LYS 47 1HB LYS 47 -6.164 -3.425 0.087
310 HG2 LYS 47 2HG LYS 47 -6.040 -3.232 2.468
311 HG3 LYS 47 1HG LYS 47 -5.027 -1.984 1.747
312 HD2 LYS 47 2HD LYS 47 -6.720 -0.317 2.170
313 HD3 LYS 47 1HD LYS 47 -7.836 -1.551 2.760
314 HE2 LYS 47 2HE LYS 47 -5.168 -0.895 4.009
315 HE3 LYS 47 1HE LYS 47 -6.719 -0.299 4.590
316 HZ1 LYS 47 3HZ LYS 47 -5.927 -2.240 5.817
317 HZ2 LYS 47 1HZ LYS 47 -5.961 -3.181 4.430
318 HZ3 LYS 47 2HZ LYS 47 -7.389 -2.549 5.066
319 H CYS 48 H CYS 48 -5.120 0.122 0.771
320 HA CYS 48 HA CYS 48 -3.159 0.340 -1.327
321 HB2 CYS 48 2HB CYS 48 -3.656 2.328 -0.079
322 HB3 CYS 48 1HB CYS 48 -3.360 1.507 1.445
323 H PHE 49 H PHE 49 -1.315 -0.764 -1.432
324 HA PHE 49 HA PHE 49 -0.489 -2.338 0.882
325 HB2 PHE 49 2HB PHE 49 -0.565 -3.124 -2.026
326 HB3 PHE 49 1HB PHE 49 0.488 -3.902 -0.861
327 HD1 PHE 49 1HD PHE 49 -3.108 -3.078 -1.383
328 HD2 PHE 49 2HD PHE 49 -0.239 -5.727 0.271
329 HE1 PHE 49 1HE PHE 49 -4.896 -4.637 -0.761
330 HE2 PHE 49 2HE PHE 49 -2.007 -7.268 0.897
331 HZ PHE 49 HZ PHE 49 -4.331 -6.738 0.402
332 H CYS 50 H CYS 50 1.349 -1.631 1.553
333 HA CYS 50 HA CYS 50 3.027 0.025 -0.114
334 HB2 CYS 50 2HB CYS 50 3.583 -1.044 2.667
335 HB3 CYS 50 1HB CYS 50 4.342 0.340 1.882
336 H LYS 51 H LYS 51 5.070 -0.592 -0.850
337 HA LYS 51 HA LYS 51 5.231 -3.488 -1.066
338 HB2 LYS 51 2HB LYS 51 6.509 -1.379 -2.817
339 HB3 LYS 51 1HB LYS 51 6.755 -3.103 -2.990
340 HG2 LYS 51 2HG LYS 51 4.274 -3.385 -3.199
341 HG3 LYS 51 1HG LYS 51 4.158 -1.633 -3.308
342 HD2 LYS 51 2HD LYS 51 5.509 -1.637 -5.314
343 HD3 LYS 51 1HD LYS 51 5.771 -3.379 -5.164
344 HE2 LYS 51 2HE LYS 51 3.319 -3.715 -5.351
345 HE3 LYS 51 1HE LYS 51 3.137 -1.984 -5.627
346 HZ1 LYS 51 3HZ LYS 51 4.663 -3.858 -7.342
347 HZ2 LYS 51 1HZ LYS 51 4.494 -2.215 -7.618
348 HZ3 LYS 51 2HZ LYS 51 3.152 -3.223 -7.708
349 H ARG 52 H ARG 52 6.337 -4.468 0.297
350 HA ARG 52 HA ARG 52 8.526 -3.062 1.515
351 HB2 ARG 52 2HB ARG 52 8.627 -4.839 3.200
352 HB3 ARG 52 1HB ARG 52 7.057 -4.082 3.103
353 HG2 ARG 52 2HG ARG 52 6.215 -6.030 1.887
354 HG3 ARG 52 1HG ARG 52 7.813 -6.781 2.021
355 HD2 ARG 52 2HD ARG 52 7.682 -6.717 4.444
356 HD3 ARG 52 1HD ARG 52 6.132 -5.890 4.367
357 HE ARG 52 HE ARG 52 5.768 -8.210 2.981
358 HH11 ARG 52 1HH1 ARG 52 6.615 -7.331 6.306
359 HH12 ARG 52 2HH1 ARG 52 6.078 -8.775 6.997
360 HH21 ARG 52 1HH2 ARG 52 4.996 -10.239 3.936
361 HH22 ARG 52 2HH2 ARG 52 5.160 -10.483 5.609
362 H GLN 53 H GLN 53 10.493 -3.660 1.648
363 HA GLN 53 HA GLN 53 11.611 -4.855 -0.685
364 HB2 GLN 53 2HB GLN 53 12.504 -2.885 0.571
365 HB3 GLN 53 1HB GLN 53 12.931 -3.972 1.879
366 HG2 GLN 53 2HG GLN 53 14.399 -5.197 0.287
367 HG3 GLN 53 1HG GLN 53 14.027 -3.947 -0.904
368 HE21 GLN 53 1HE2 GLN 53 13.968 -1.826 1.148
369 HE22 GLN 53 2HE2 GLN 53 15.616 -1.544 1.549
370 H CYS 54 H CYS 54 11.782 -7.035 -0.880
371 HA CYS 54 HA CYS 54 12.230 -8.550 1.571
372 HB2 CYS 54 2HB CYS 54 10.793 -9.385 -0.966
373 HB3 CYS 54 1HB CYS 54 11.111 -10.448 0.398
Start of MODEL 19
1 H1 ASP 1 1HT ASP 1 8.344 -5.718 -10.952
2 H2 ASP 1 2HT ASP 1 9.402 -4.846 -9.980
3 H3 ASP 1 3HT ASP 1 9.550 -6.498 -10.083
4 HA ASP 1 HA ASP 1 10.178 -6.369 -12.389
5 HB2 ASP 1 2HB ASP 1 10.119 -3.363 -11.947
6 HB3 ASP 1 1HB ASP 1 10.648 -4.186 -13.405
7 H GLY 2 H GLY 2 12.110 -7.198 -11.985
8 HA2 GLY 2 2HA GLY 2 14.376 -7.194 -11.607
9 HA3 GLY 2 1HA GLY 2 14.272 -5.499 -11.151
10 H VAL 3 H VAL 3 13.121 -5.145 -9.050
11 HA VAL 3 HA VAL 3 14.381 -6.860 -7.077
12 HB VAL 3 HB VAL 3 14.690 -4.387 -6.928
13 HG11 VAL 3 1HG1 VAL 3 12.601 -3.597 -7.783
14 HG12 VAL 3 2HG1 VAL 3 12.885 -2.941 -6.166
15 HG13 VAL 3 3HG1 VAL 3 11.748 -4.268 -6.390
16 HG21 VAL 3 3HG2 VAL 3 14.189 -4.124 -4.550
17 HG22 VAL 3 1HG2 VAL 3 14.920 -5.691 -4.905
18 HG23 VAL 3 2HG2 VAL 3 13.183 -5.575 -4.611
19 H LYS 4 H LYS 4 13.202 -7.956 -5.484
20 HA LYS 4 HA LYS 4 10.425 -8.370 -6.226
21 HB2 LYS 4 2HB LYS 4 12.223 -10.059 -4.444
22 HB3 LYS 4 1HB LYS 4 10.539 -10.415 -4.778
23 HG2 LYS 4 2HG LYS 4 11.844 -11.846 -6.170
24 HG3 LYS 4 1HG LYS 4 11.162 -10.605 -7.219
25 HD2 LYS 4 2HD LYS 4 13.310 -9.355 -7.017
26 HD3 LYS 4 1HD LYS 4 13.964 -10.721 -6.121
27 HE2 LYS 4 2HE LYS 4 13.627 -12.154 -8.085
28 HE3 LYS 4 1HE LYS 4 12.941 -10.778 -8.950
29 HZ1 LYS 4 3HZ LYS 4 15.284 -11.083 -9.517
30 HZ2 LYS 4 1HZ LYS 4 15.710 -10.914 -7.891
31 HZ3 LYS 4 2HZ LYS 4 15.035 -9.618 -8.717
32 H LEU 5 H LEU 5 8.869 -7.567 -5.076
33 HA LEU 5 HA LEU 5 9.575 -6.468 -2.458
34 HB2 LEU 5 2HB LEU 5 7.357 -5.495 -4.269
35 HB3 LEU 5 1HB LEU 5 8.001 -4.759 -2.812
36 HG LEU 5 HG LEU 5 9.568 -5.035 -5.372
37 HD11 LEU 5 1HD1 LEU 5 7.713 -3.524 -5.695
38 HD12 LEU 5 2HD1 LEU 5 9.237 -2.637 -5.621
39 HD13 LEU 5 3HD1 LEU 5 8.153 -2.645 -4.231
40 HD21 LEU 5 3HD2 LEU 5 10.118 -3.544 -2.810
41 HD22 LEU 5 1HD2 LEU 5 11.077 -3.422 -4.289
42 HD23 LEU 5 2HD2 LEU 5 10.983 -4.956 -3.434
43 H CYS 6 H CYS 6 7.791 -6.396 -0.972
44 HA CYS 6 HA CYS 6 5.843 -8.564 -1.363
45 HB2 CYS 6 2HB CYS 6 7.184 -7.759 1.237
46 HB3 CYS 6 1HB CYS 6 6.067 -9.093 1.016
47 H ASP 7 H ASP 7 3.865 -7.727 -1.422
48 HA ASP 7 HA ASP 7 3.324 -5.014 -0.681
49 HB2 ASP 7 2HB ASP 7 1.521 -7.240 -1.673
50 HB3 ASP 7 1HB ASP 7 0.941 -5.623 -1.335
51 H VAL 8 H VAL 8 3.271 -4.540 1.412
52 HA VAL 8 HA VAL 8 1.981 -6.409 3.258
53 HB VAL 8 HB VAL 8 3.821 -4.074 3.885
54 HG11 VAL 8 1HG1 VAL 8 2.304 -4.543 5.719
55 HG12 VAL 8 2HG1 VAL 8 3.943 -5.043 6.146
56 HG13 VAL 8 3HG1 VAL 8 2.745 -6.249 5.677
57 HG21 VAL 8 3HG2 VAL 8 4.414 -7.032 3.905
58 HG22 VAL 8 1HG2 VAL 8 5.521 -5.754 4.401
59 HG23 VAL 8 2HG2 VAL 8 5.001 -5.871 2.717
60 HA PRO 9 HA PRO 9 -1.381 -3.450 3.127
61 HB2 PRO 9 2HB PRO 9 -2.903 -4.624 5.050
62 HB3 PRO 9 1HB PRO 9 -2.832 -5.208 3.384
63 HG2 PRO 9 2HG PRO 9 -1.407 -6.227 5.809
64 HG3 PRO 9 1HG PRO 9 -2.177 -7.137 4.499
65 HD2 PRO 9 2HD PRO 9 0.486 -6.768 4.639
66 HD3 PRO 9 1HD PRO 9 -0.376 -6.875 3.089
67 H SER 10 H SER 10 -1.499 -1.542 4.138
68 HA SER 10 HA SER 10 -0.314 -1.308 6.757
69 HB2 SER 10 2HB SER 10 -1.027 0.682 4.629
70 HB3 SER 10 1HB SER 10 -0.292 1.097 6.182
71 HG SER 10 HG SER 10 1.160 0.745 4.318
72 H GLY 11 H GLY 11 -1.460 -0.856 8.504
73 HA2 GLY 11 2HA GLY 11 -4.335 -0.517 8.338
74 HA3 GLY 11 1HA GLY 11 -3.378 -0.708 9.805
75 H THR 12 H THR 12 -1.662 1.449 8.274
76 HA THR 12 HA THR 12 -2.615 3.680 9.715
77 HB THR 12 HB THR 12 -0.676 4.728 8.340
78 HG1 THR 12 1HG THR 12 0.727 2.814 7.695
79 HG21 THR 12 3HG2 THR 12 0.987 3.651 9.802
80 HG22 THR 12 1HG2 THR 12 -0.160 2.361 10.160
81 HG23 THR 12 2HG2 THR 12 -0.490 4.005 10.701
82 H TRP 13 H TRP 13 -2.984 2.416 6.530
83 HA TRP 13 HA TRP 13 -4.138 4.882 5.501
84 HB2 TRP 13 2HB TRP 13 -2.714 3.562 3.981
85 HB3 TRP 13 1HB TRP 13 -3.764 2.168 4.201
86 HD1 TRP 13 HD TRP 13 -6.163 2.229 2.978
87 HE1 TRP 13 1HE TRP 13 -7.018 3.614 0.960
88 HE3 TRP 13 3HE TRP 13 -2.521 5.811 2.786
89 HZ2 TRP 13 2HZ TRP 13 -6.253 5.844 -0.499
90 HZ3 TRP 13 3HZ TRP 13 -2.659 7.534 1.037
91 HH2 TRP 13 HH TRP 13 -4.492 7.548 -0.574
92 H SER 14 H SER 14 -6.297 5.154 5.271
93 HA SER 14 HA SER 14 -7.972 3.168 6.580
94 HB2 SER 14 2HB SER 14 -8.520 6.061 5.954
95 HB3 SER 14 1HB SER 14 -9.505 4.991 6.955
96 HG SER 14 HG SER 14 -7.098 4.820 7.907
97 H GLY 15 H GLY 15 -8.873 1.789 5.152
98 HA2 GLY 15 2HA GLY 15 -10.633 1.198 3.818
99 HA3 GLY 15 1HA GLY 15 -10.891 2.886 3.453
100 H HIS 16 H HIS 16 -10.775 3.289 1.430
101 HA HIS 16 HA HIS 16 -9.767 1.318 -0.424
102 HB2 HIS 16 2HB HIS 16 -12.017 2.184 -0.718
103 HB3 HIS 16 1HB HIS 16 -11.408 3.825 -0.771
104 HD1 HIS 16 1HD HIS 16 -11.844 0.755 -2.917
105 HD2 HIS 16 2HD HIS 16 -10.386 4.639 -3.230
106 HE1 HIS 16 1HE HIS 16 -11.594 1.198 -5.360
107 H CYS 17 H CYS 17 -8.271 1.637 -1.950
108 HA CYS 17 HA CYS 17 -6.581 4.044 -1.795
109 HB2 CYS 17 2HB CYS 17 -5.496 1.847 -1.246
110 HB3 CYS 17 1HB CYS 17 -5.890 1.299 -2.866
111 H GLY 18 H GLY 18 -7.336 5.357 -3.372
112 HA2 GLY 18 2HA GLY 18 -7.737 4.156 -6.030
113 HA3 GLY 18 1HA GLY 18 -8.458 5.680 -5.512
114 H SER 19 H SER 19 -6.066 6.577 -4.178
115 HA SER 19 HA SER 19 -4.587 7.425 -6.492
116 HB2 SER 19 2HB SER 19 -3.795 9.110 -4.699
117 HB3 SER 19 1HB SER 19 -5.456 9.237 -5.296
118 HG SER 19 HG SER 19 -5.739 9.250 -3.169
119 H SER 20 H SER 20 -2.917 6.129 -6.907
120 HA SER 20 HA SER 20 -1.721 4.458 -4.946
121 HB2 SER 20 2HB SER 20 -0.831 5.070 -7.767
122 HB3 SER 20 1HB SER 20 -0.289 3.712 -6.774
123 HG SER 20 HG SER 20 -2.955 3.779 -6.787
124 H SER 21 H SER 21 -0.877 7.518 -6.422
125 HA SER 21 HA SER 21 1.746 7.632 -5.363
126 HB2 SER 21 2HB SER 21 1.065 9.042 -7.278
127 HB3 SER 21 1HB SER 21 -0.081 9.884 -6.242
128 HG SER 21 HG SER 21 2.732 9.826 -5.844
129 H LYS 22 H LYS 22 -1.416 8.726 -4.213
130 HA LYS 22 HA LYS 22 -0.400 10.018 -1.900
131 HB2 LYS 22 2HB LYS 22 -3.137 8.912 -2.497
132 HB3 LYS 22 1HB LYS 22 -2.739 9.801 -1.037
133 HG2 LYS 22 2HG LYS 22 -2.458 10.894 -3.826
134 HG3 LYS 22 1HG LYS 22 -3.849 11.169 -2.775
135 HD2 LYS 22 2HD LYS 22 -2.359 12.226 -1.124
136 HD3 LYS 22 1HD LYS 22 -0.993 11.985 -2.209
137 HE2 LYS 22 2HE LYS 22 -3.455 13.612 -2.804
138 HE3 LYS 22 1HE LYS 22 -1.894 14.267 -2.329
139 HZ1 LYS 22 3HZ LYS 22 -2.144 14.404 -4.699
140 HZ2 LYS 22 1HZ LYS 22 -2.485 12.764 -4.830
141 HZ3 LYS 22 2HZ LYS 22 -0.954 13.261 -4.363
142 H CYS 23 H CYS 23 -1.627 6.797 -2.527
143 HA CYS 23 HA CYS 23 -1.494 5.634 -0.043
144 HB2 CYS 23 2HB CYS 23 -2.391 4.443 -1.903
145 HB3 CYS 23 1HB CYS 23 -0.901 4.600 -2.808
146 H SER 24 H SER 24 1.140 5.747 -2.468
147 HA SER 24 HA SER 24 3.028 4.740 -0.629
148 HB2 SER 24 2HB SER 24 4.671 5.580 -2.430
149 HB3 SER 24 1HB SER 24 3.581 4.253 -2.823
150 HG SER 24 HG SER 24 2.359 5.594 -4.046
151 H GLN 25 H GLN 25 2.387 8.054 -1.665
152 HA GLN 25 HA GLN 25 4.496 9.095 -0.206
153 HB2 GLN 25 2HB GLN 25 1.874 10.379 -0.975
154 HB3 GLN 25 1HB GLN 25 3.160 11.258 -0.165
155 HG2 GLN 25 2HG GLN 25 3.411 9.879 -2.825
156 HG3 GLN 25 1HG GLN 25 3.146 11.606 -2.592
157 HE21 GLN 25 1HE2 GLN 25 4.808 12.850 -1.784
158 HE22 GLN 25 2HE2 GLN 25 6.441 12.326 -1.786
159 H GLN 26 H GLN 26 1.131 8.513 0.867
160 HA GLN 26 HA GLN 26 1.461 9.737 3.439
161 HB2 GLN 26 2HB GLN 26 -0.752 9.280 2.272
162 HB3 GLN 26 1HB GLN 26 -0.532 7.589 2.686
163 HG2 GLN 26 2HG GLN 26 -0.458 8.249 5.084
164 HG3 GLN 26 1HG GLN 26 -0.842 9.895 4.587
165 HE21 GLN 26 1HE2 GLN 26 -2.061 6.725 5.122
166 HE22 GLN 26 2HE2 GLN 26 -3.728 7.096 4.835
167 H CYS 27 H CYS 27 1.665 6.404 2.346
168 HA CYS 27 HA CYS 27 2.007 5.263 4.904
169 HB2 CYS 27 2HB CYS 27 1.191 4.081 2.907
170 HB3 CYS 27 1HB CYS 27 2.757 4.283 2.145
171 H LYS 28 H LYS 28 4.251 6.226 2.365
172 HA LYS 28 HA LYS 28 6.635 5.451 3.693
173 HB2 LYS 28 2HB LYS 28 6.359 5.465 1.304
174 HB3 LYS 28 1HB LYS 28 5.993 7.171 1.335
175 HG2 LYS 28 2HG LYS 28 8.264 7.695 1.838
176 HG3 LYS 28 1HG LYS 28 8.656 5.978 2.026
177 HD2 LYS 28 2HD LYS 28 9.320 6.715 -0.222
178 HD3 LYS 28 1HD LYS 28 7.956 5.576 -0.263
179 HE2 LYS 28 2HE LYS 28 7.690 7.396 -1.852
180 HE3 LYS 28 1HE LYS 28 6.402 7.356 -0.659
181 HZ1 LYS 28 3HZ LYS 28 8.733 9.196 -0.670
182 HZ2 LYS 28 1HZ LYS 28 7.526 9.197 0.508
183 HZ3 LYS 28 2HZ LYS 28 7.151 9.575 -1.086
184 H ASP 29 H ASP 29 4.646 8.281 3.665
185 HA ASP 29 HA ASP 29 6.577 10.057 4.852
186 HB2 ASP 29 2HB ASP 29 4.687 10.986 3.613
187 HB3 ASP 29 1HB ASP 29 3.564 10.184 4.688
188 H ARG 30 H ARG 30 4.038 7.895 5.915
189 HA ARG 30 HA ARG 30 4.008 8.627 8.564
190 HB2 ARG 30 2HB ARG 30 2.209 7.468 7.449
191 HB3 ARG 30 1HB ARG 30 3.240 6.078 7.171
192 HG2 ARG 30 2HG ARG 30 1.716 5.687 8.957
193 HG3 ARG 30 1HG ARG 30 3.406 5.715 9.504
194 HD2 ARG 30 2HD ARG 30 1.912 6.898 11.080
195 HD3 ARG 30 1HD ARG 30 3.131 7.956 10.381
196 HE ARG 30 HE ARG 30 0.807 8.096 8.820
197 HH11 ARG 30 1HH1 ARG 30 1.932 9.051 12.038
198 HH12 ARG 30 2HH1 ARG 30 0.854 10.351 12.178
199 HH21 ARG 30 1HH2 ARG 30 -0.650 9.906 9.013
200 HH22 ARG 30 2HH2 ARG 30 -0.635 10.859 10.423
201 H GLU 31 H GLU 31 5.366 5.523 7.256
202 HA GLU 31 HA GLU 31 7.852 5.722 8.665
203 HB2 GLU 31 2HB GLU 31 7.525 4.239 10.566
204 HB3 GLU 31 1HB GLU 31 6.424 5.605 10.684
205 HG2 GLU 31 2HG GLU 31 4.562 4.232 9.961
206 HG3 GLU 31 1HG GLU 31 5.643 2.890 9.628
207 H HIS 32 H HIS 32 6.366 4.382 6.275
208 HA HIS 32 HA HIS 32 6.900 1.671 7.071
209 HB2 HIS 32 2HB HIS 32 5.197 2.577 4.781
210 HB3 HIS 32 1HB HIS 32 5.537 0.891 5.161
211 HD1 HIS 32 1HD HIS 32 3.988 -0.189 6.896
212 HD2 HIS 32 2HD HIS 32 3.758 3.957 6.868
213 HE1 HIS 32 1HE HIS 32 2.105 0.414 8.445
214 H PHE 33 H PHE 33 7.127 2.618 3.631
215 HA PHE 33 HA PHE 33 9.863 1.600 3.718
216 HB2 PHE 33 2HB PHE 33 7.750 0.365 1.927
217 HB3 PHE 33 1HB PHE 33 9.449 -0.066 1.973
218 HD1 PHE 33 1HD PHE 33 10.342 -1.011 4.205
219 HD2 PHE 33 2HD PHE 33 6.211 -0.771 3.222
220 HE1 PHE 33 1HE PHE 33 9.842 -2.715 5.901
221 HE2 PHE 33 2HE PHE 33 5.700 -2.471 4.917
222 HZ PHE 33 HZ PHE 33 7.511 -3.444 6.271
223 H ALA 34 H ALA 34 10.938 1.840 1.589
224 HA ALA 34 HA ALA 34 10.431 4.417 0.481
225 HB1 ALA 34 1HB ALA 34 12.697 3.459 0.637
226 HB2 ALA 34 2HB ALA 34 12.298 3.958 -1.006
227 HB3 ALA 34 3HB ALA 34 12.253 2.251 -0.571
228 H TYR 35 H TYR 35 9.723 1.162 -0.516
229 HA TYR 35 HA TYR 35 8.365 2.091 -2.966
230 HB2 TYR 35 2HB TYR 35 8.646 -0.726 -1.853
231 HB3 TYR 35 1HB TYR 35 8.031 -0.291 -3.432
232 HD1 TYR 35 1HD TYR 35 9.587 0.380 -5.215
233 HD2 TYR 35 2HD TYR 35 10.983 -0.844 -1.403
234 HE1 TYR 35 1HE TYR 35 11.830 0.005 -6.160
235 HE2 TYR 35 2HE TYR 35 13.235 -1.204 -2.325
236 HH TYR 35 HH TYR 35 14.201 -0.082 -5.325
237 H GLY 36 H GLY 36 7.605 2.626 -0.097
238 HA2 GLY 36 2HA GLY 36 5.643 0.829 0.721
239 HA3 GLY 36 1HA GLY 36 6.055 2.346 1.463
240 H GLY 37 H GLY 37 4.399 1.224 -1.480
241 HA2 GLY 37 2HA GLY 37 1.892 1.466 -0.614
242 HA3 GLY 37 1HA GLY 37 2.255 3.125 -0.964
243 H ALA 38 H ALA 38 0.816 0.523 -2.041
244 HA ALA 38 HA ALA 38 0.569 1.596 -4.686
245 HB1 ALA 38 1HB ALA 38 1.388 -1.263 -4.147
246 HB2 ALA 38 2HB ALA 38 2.363 -0.042 -4.965
247 HB3 ALA 38 3HB ALA 38 0.871 -0.626 -5.709
248 H CYS 39 H CYS 39 -1.525 1.128 -5.449
249 HA CYS 39 HA CYS 39 -3.364 0.197 -3.470
250 HB2 CYS 39 2HB CYS 39 -3.808 0.895 -6.389
251 HB3 CYS 39 1HB CYS 39 -5.081 0.595 -5.215
252 H HIS 40 H HIS 40 -3.853 -1.854 -3.140
253 HA HIS 40 HA HIS 40 -3.444 -3.763 -5.324
254 HB2 HIS 40 2HB HIS 40 -1.576 -3.728 -3.616
255 HB3 HIS 40 1HB HIS 40 -2.757 -4.156 -2.397
256 HD1 HIS 40 1HD HIS 40 -0.118 -5.704 -3.855
257 HD2 HIS 40 2HD HIS 40 -4.144 -6.734 -3.707
258 HE1 HIS 40 1HE HIS 40 -0.216 -8.214 -4.147
259 H TYR 41 H TYR 41 -5.191 -5.042 -5.583
260 HA TYR 41 HA TYR 41 -7.542 -4.493 -4.142
261 HB2 TYR 41 2HB TYR 41 -7.682 -5.219 -6.463
262 HB3 TYR 41 1HB TYR 41 -7.014 -6.794 -6.032
263 HD1 TYR 41 1HD TYR 41 -9.942 -4.563 -5.567
264 HD2 TYR 41 2HD TYR 41 -8.435 -8.521 -5.147
265 HE1 TYR 41 1HE TYR 41 -12.190 -5.360 -5.066
266 HE2 TYR 41 2HE TYR 41 -10.679 -9.335 -4.657
267 HH TYR 41 HH TYR 41 -12.801 -8.470 -3.813
268 H GLN 42 H GLN 42 -8.432 -5.333 -2.488
269 HA GLN 42 HA GLN 42 -7.550 -7.895 -1.455
270 HB2 GLN 42 2HB GLN 42 -6.528 -6.060 -0.135
271 HB3 GLN 42 1HB GLN 42 -8.117 -5.345 0.082
272 HG2 GLN 42 2HG GLN 42 -8.840 -7.296 1.330
273 HG3 GLN 42 1HG GLN 42 -7.264 -8.044 1.110
274 HE21 GLN 42 1HE2 GLN 42 -9.078 -5.589 2.741
275 HE22 GLN 42 2HE2 GLN 42 -7.883 -5.229 3.926
276 H PHE 43 H PHE 43 -9.418 -8.851 -0.300
277 HA PHE 43 HA PHE 43 -11.822 -7.945 -1.514
278 HB2 PHE 43 2HB PHE 43 -11.330 -10.388 -1.244
279 HB3 PHE 43 1HB PHE 43 -11.447 -10.186 0.500
280 HD1 PHE 43 2HD PHE 43 -13.330 -10.025 -2.665
281 HD2 PHE 43 1HD PHE 43 -13.547 -10.193 1.581
282 HE1 PHE 43 2HE PHE 43 -15.744 -10.423 -2.808
283 HE2 PHE 43 1HE PHE 43 -15.961 -10.591 1.441
284 HZ PHE 43 HZ PHE 43 -17.061 -10.711 -0.758
285 HA PRO 44 HA PRO 44 -13.624 -7.357 -1.463
286 HB2 PRO 44 2HB PRO 44 -15.692 -5.793 -0.994
287 HB3 PRO 44 1HB PRO 44 -15.553 -7.360 -0.187
288 HG2 PRO 44 2HG PRO 44 -15.155 -4.629 0.917
289 HG3 PRO 44 1HG PRO 44 -15.724 -6.094 1.729
290 HD2 PRO 44 2HD PRO 44 -13.073 -5.010 1.718
291 HD3 PRO 44 1HD PRO 44 -13.617 -6.526 2.462
292 H SER 45 H SER 45 -11.854 -4.827 -0.213
293 HA SER 45 HA SER 45 -12.457 -3.131 -2.498
294 HB2 SER 45 2HB SER 45 -12.029 -1.176 -0.900
295 HB3 SER 45 1HB SER 45 -13.559 -2.043 -0.739
296 HG SER 45 HG SER 45 -12.935 -2.106 1.255
297 H VAL 46 H VAL 46 -10.774 -1.908 -3.327
298 HA VAL 46 HA VAL 46 -8.145 -2.979 -3.160
299 HB VAL 46 HB VAL 46 -9.028 -0.304 -4.304
300 HG11 VAL 46 1HG1 VAL 46 -6.627 -0.453 -3.980
301 HG12 VAL 46 2HG1 VAL 46 -7.032 -0.459 -5.697
302 HG13 VAL 46 3HG1 VAL 46 -6.583 -1.963 -4.891
303 HG21 VAL 46 3HG2 VAL 46 -10.273 -2.171 -5.315
304 HG22 VAL 46 1HG2 VAL 46 -8.744 -2.948 -5.724
305 HG23 VAL 46 2HG2 VAL 46 -9.178 -1.409 -6.470
306 H LYS 47 H LYS 47 -6.606 -2.517 -1.686
307 HA LYS 47 HA LYS 47 -6.942 -0.055 -0.148
308 HB2 LYS 47 2HB LYS 47 -7.735 -1.984 1.176
309 HB3 LYS 47 1HB LYS 47 -6.177 -2.766 0.988
310 HG2 LYS 47 2HG LYS 47 -5.096 -1.116 2.328
311 HG3 LYS 47 1HG LYS 47 -6.530 -0.097 2.328
312 HD2 LYS 47 2HD LYS 47 -6.373 -2.839 3.557
313 HD3 LYS 47 1HD LYS 47 -6.145 -1.318 4.436
314 HE2 LYS 47 2HE LYS 47 -8.435 -0.637 3.678
315 HE3 LYS 47 1HE LYS 47 -8.638 -2.256 3.020
316 HZ1 LYS 47 3HZ LYS 47 -9.617 -2.009 5.228
317 HZ2 LYS 47 1HZ LYS 47 -8.109 -1.638 5.870
318 HZ3 LYS 47 2HZ LYS 47 -8.411 -3.170 5.233
319 H CYS 48 H CYS 48 -4.848 0.474 1.067
320 HA CYS 48 HA CYS 48 -2.782 0.631 -0.913
321 HB2 CYS 48 2HB CYS 48 -3.525 2.600 0.336
322 HB3 CYS 48 1HB CYS 48 -3.098 1.818 1.844
323 H PHE 49 H PHE 49 -1.421 -0.998 -1.041
324 HA PHE 49 HA PHE 49 -0.476 -2.259 1.415
325 HB2 PHE 49 2HB PHE 49 -0.490 -3.309 -1.434
326 HB3 PHE 49 1HB PHE 49 0.423 -4.024 -0.131
327 HD1 PHE 49 2HD PHE 49 -3.123 -2.863 -0.525
328 HD2 PHE 49 1HD PHE 49 -0.459 -5.946 0.680
329 HE1 PHE 49 2HE PHE 49 -5.031 -4.246 0.134
330 HE2 PHE 49 1HE PHE 49 -2.363 -7.335 1.350
331 HZ PHE 49 HZ PHE 49 -4.657 -6.487 1.087
332 H CYS 50 H CYS 50 1.458 -1.842 1.974
333 HA CYS 50 HA CYS 50 3.024 -0.189 0.210
334 HB2 CYS 50 2HB CYS 50 3.214 -0.709 3.170
335 HB3 CYS 50 1HB CYS 50 4.221 0.430 2.267
336 H LYS 51 H LYS 51 4.413 -1.123 -0.945
337 HA LYS 51 HA LYS 51 5.204 -3.827 -0.621
338 HB2 LYS 51 2HB LYS 51 6.294 -1.717 -2.465
339 HB3 LYS 51 1HB LYS 51 6.475 -3.452 -2.635
340 HG2 LYS 51 2HG LYS 51 4.069 -3.687 -3.005
341 HG3 LYS 51 1HG LYS 51 3.870 -1.946 -2.821
342 HD2 LYS 51 2HD LYS 51 5.532 -3.307 -4.949
343 HD3 LYS 51 1HD LYS 51 3.921 -2.633 -5.190
344 HE2 LYS 51 2HE LYS 51 4.777 -0.398 -4.636
345 HE3 LYS 51 1HE LYS 51 6.378 -1.076 -4.359
346 HZ1 LYS 51 3HZ LYS 51 6.425 -1.749 -6.707
347 HZ2 LYS 51 1HZ LYS 51 6.244 -0.087 -6.533
348 HZ3 LYS 51 2HZ LYS 51 4.928 -1.054 -6.944
349 H ARG 52 H ARG 52 6.722 -4.433 0.725
350 HA ARG 52 HA ARG 52 8.907 -2.604 1.320
351 HB2 ARG 52 2HB ARG 52 9.676 -4.280 2.933
352 HB3 ARG 52 1HB ARG 52 8.027 -3.776 3.249
353 HG2 ARG 52 2HG ARG 52 7.156 -5.813 2.626
354 HG3 ARG 52 1HG ARG 52 8.577 -6.229 1.661
355 HD2 ARG 52 2HD ARG 52 8.598 -5.938 4.655
356 HD3 ARG 52 1HD ARG 52 8.442 -7.483 3.807
357 HE ARG 52 HE ARG 52 10.635 -6.330 2.698
358 HH11 ARG 52 1HH1 ARG 52 9.806 -7.134 6.053
359 HH12 ARG 52 2HH1 ARG 52 11.433 -7.398 6.494
360 HH21 ARG 52 1HH2 ARG 52 12.792 -6.673 3.318
361 HH22 ARG 52 2HH2 ARG 52 13.175 -7.164 4.906
362 H GLN 53 H GLN 53 11.073 -3.332 1.032
363 HA GLN 53 HA GLN 53 11.368 -4.821 -1.413
364 HB2 GLN 53 2HB GLN 53 12.680 -2.754 -0.872
365 HB3 GLN 53 1HB GLN 53 13.463 -3.660 0.410
366 HG2 GLN 53 2HG GLN 53 14.305 -5.248 -1.305
367 HG3 GLN 53 1HG GLN 53 13.617 -4.194 -2.530
368 HE21 GLN 53 1HE2 GLN 53 15.638 -3.761 -3.434
369 HE22 GLN 53 2HE2 GLN 53 16.776 -2.739 -2.652
370 H CYS 54 H CYS 54 11.946 -6.946 -1.515
371 HA CYS 54 HA CYS 54 12.841 -8.169 0.968
372 HB2 CYS 54 2HB CYS 54 10.970 -9.335 -1.124
373 HB3 CYS 54 1HB CYS 54 11.574 -10.195 0.291
Start of MODEL 20
1 H1 ASP 1 1HT ASP 1 16.084 -1.047 -9.512
2 H2 ASP 1 2HT ASP 1 15.138 -2.324 -8.993
3 H3 ASP 1 3HT ASP 1 15.402 -2.108 -10.638
4 HA ASP 1 HA ASP 1 17.770 -2.556 -10.333
5 HB2 ASP 1 2HB ASP 1 16.866 -3.243 -7.525
6 HB3 ASP 1 1HB ASP 1 18.398 -3.732 -8.231
7 H GLY 2 H GLY 2 15.536 -4.496 -8.393
8 HA2 GLY 2 2HA GLY 2 14.615 -6.345 -10.059
9 HA3 GLY 2 1HA GLY 2 16.295 -6.839 -9.861
10 H VAL 3 H VAL 3 14.127 -5.358 -7.532
11 HA VAL 3 HA VAL 3 14.976 -7.432 -5.683
12 HB VAL 3 HB VAL 3 15.406 -5.113 -5.013
13 HG11 VAL 3 1HG1 VAL 3 12.441 -4.703 -5.148
14 HG12 VAL 3 2HG1 VAL 3 13.679 -3.932 -6.143
15 HG13 VAL 3 3HG1 VAL 3 13.588 -3.580 -4.420
16 HG21 VAL 3 3HG2 VAL 3 13.298 -6.427 -3.305
17 HG22 VAL 3 1HG2 VAL 3 14.384 -5.139 -2.778
18 HG23 VAL 3 2HG2 VAL 3 15.041 -6.701 -3.239
19 H LYS 4 H LYS 4 13.528 -8.678 -4.550
20 HA LYS 4 HA LYS 4 10.963 -9.053 -5.813
21 HB2 LYS 4 2HB LYS 4 12.249 -10.485 -3.460
22 HB3 LYS 4 1HB LYS 4 10.690 -10.899 -4.125
23 HG2 LYS 4 2HG LYS 4 12.294 -12.499 -4.886
24 HG3 LYS 4 1HG LYS 4 11.827 -11.506 -6.262
25 HD2 LYS 4 2HD LYS 4 13.895 -10.272 -6.123
26 HD3 LYS 4 1HD LYS 4 14.312 -11.085 -4.615
27 HE2 LYS 4 2HE LYS 4 15.532 -12.006 -6.530
28 HE3 LYS 4 1HE LYS 4 14.498 -13.195 -5.748
29 HZ1 LYS 4 3HZ LYS 4 13.828 -11.722 -8.238
30 HZ2 LYS 4 1HZ LYS 4 12.900 -12.945 -7.527
31 HZ3 LYS 4 2HZ LYS 4 14.414 -13.280 -8.169
32 H LEU 5 H LEU 5 9.426 -7.641 -5.236
33 HA LEU 5 HA LEU 5 9.460 -6.698 -2.490
34 HB2 LEU 5 2HB LEU 5 7.755 -5.669 -4.771
35 HB3 LEU 5 1HB LEU 5 7.952 -5.029 -3.142
36 HG LEU 5 HG LEU 5 10.244 -5.156 -5.086
37 HD11 LEU 5 1HD1 LEU 5 8.496 -3.727 -6.014
38 HD12 LEU 5 2HD1 LEU 5 9.887 -2.787 -5.475
39 HD13 LEU 5 3HD1 LEU 5 8.424 -2.822 -4.501
40 HD21 LEU 5 3HD2 LEU 5 11.204 -3.488 -3.561
41 HD22 LEU 5 1HD2 LEU 5 10.863 -5.018 -2.752
42 HD23 LEU 5 2HD2 LEU 5 9.786 -3.639 -2.522
43 H CYS 6 H CYS 6 7.755 -6.861 -1.185
44 HA CYS 6 HA CYS 6 5.707 -8.833 -1.945
45 HB2 CYS 6 2HB CYS 6 6.845 -8.266 0.800
46 HB3 CYS 6 1HB CYS 6 5.690 -9.530 0.385
47 H ASP 7 H ASP 7 3.588 -8.337 -1.482
48 HA ASP 7 HA ASP 7 3.030 -5.539 -1.081
49 HB2 ASP 7 2HB ASP 7 1.218 -7.878 -1.705
50 HB3 ASP 7 1HB ASP 7 0.669 -6.216 -1.585
51 H VAL 8 H VAL 8 2.898 -4.788 0.873
52 HA VAL 8 HA VAL 8 1.753 -6.440 3.029
53 HB VAL 8 HB VAL 8 3.589 -4.029 3.217
54 HG11 VAL 8 1HG1 VAL 8 2.625 -5.909 5.367
55 HG12 VAL 8 2HG1 VAL 8 2.153 -4.222 5.161
56 HG13 VAL 8 3HG1 VAL 8 3.817 -4.627 5.586
57 HG21 VAL 8 3HG2 VAL 8 5.319 -5.588 3.917
58 HG22 VAL 8 1HG2 VAL 8 4.752 -5.957 2.289
59 HG23 VAL 8 2HG2 VAL 8 4.218 -6.942 3.655
60 HA PRO 9 HA PRO 9 -1.741 -3.593 2.637
61 HB2 PRO 9 2HB PRO 9 -2.201 -4.516 5.431
62 HB3 PRO 9 1HB PRO 9 -3.331 -4.465 4.073
63 HG2 PRO 9 2HG PRO 9 -2.305 -6.766 4.884
64 HG3 PRO 9 1HG PRO 9 -2.521 -6.432 3.158
65 HD2 PRO 9 2HD PRO 9 -0.018 -6.407 4.789
66 HD3 PRO 9 1HD PRO 9 -0.276 -6.926 3.109
67 H SER 10 H SER 10 -1.450 -1.472 2.874
68 HA SER 10 HA SER 10 0.332 -0.312 4.690
69 HB2 SER 10 2HB SER 10 -1.918 1.033 3.209
70 HB3 SER 10 1HB SER 10 -0.380 1.742 3.718
71 HG SER 10 HG SER 10 0.557 0.904 2.007
72 H GLY 11 H GLY 11 -0.097 -0.526 6.816
73 HA2 GLY 11 2HA GLY 11 -2.704 -0.440 7.956
74 HA3 GLY 11 1HA GLY 11 -1.183 -0.418 8.840
75 H THR 12 H THR 12 -0.392 1.978 7.191
76 HA THR 12 HA THR 12 -1.670 3.890 8.938
77 HB THR 12 HB THR 12 0.179 5.381 8.131
78 HG1 THR 12 1HG THR 12 0.925 4.669 6.318
79 HG21 THR 12 3HG2 THR 12 0.914 2.703 9.331
80 HG22 THR 12 1HG2 THR 12 0.410 4.138 10.211
81 HG23 THR 12 2HG2 THR 12 1.959 4.120 9.361
82 H TRP 13 H TRP 13 -2.681 2.660 6.283
83 HA TRP 13 HA TRP 13 -3.516 5.186 5.081
84 HB2 TRP 13 2HB TRP 13 -2.388 3.766 3.431
85 HB3 TRP 13 1HB TRP 13 -3.422 2.408 3.872
86 HD1 TRP 13 HD TRP 13 -5.580 2.124 2.510
87 HE1 TRP 13 1HE TRP 13 -6.895 3.585 0.854
88 HE3 TRP 13 3HE TRP 13 -2.908 6.468 2.904
89 HZ2 TRP 13 2HZ TRP 13 -6.811 6.179 -0.164
90 HZ3 TRP 13 3HZ TRP 13 -3.604 8.396 1.548
91 HH2 TRP 13 HH TRP 13 -5.516 8.251 0.045
92 H SER 14 H SER 14 -5.696 5.619 5.106
93 HA SER 14 HA SER 14 -7.206 3.868 6.818
94 HB2 SER 14 2HB SER 14 -7.069 6.222 7.428
95 HB3 SER 14 1HB SER 14 -7.740 6.679 5.867
96 HG SER 14 HG SER 14 -9.591 6.448 6.685
97 H GLY 15 H GLY 15 -7.992 2.249 5.648
98 HA2 GLY 15 2HA GLY 15 -9.680 1.172 4.568
99 HA3 GLY 15 1HA GLY 15 -10.456 2.725 4.367
100 H HIS 16 H HIS 16 -10.892 3.173 2.398
101 HA HIS 16 HA HIS 16 -10.069 1.537 0.256
102 HB2 HIS 16 2HB HIS 16 -12.323 2.424 0.300
103 HB3 HIS 16 1HB HIS 16 -11.715 4.073 0.286
104 HD1 HIS 16 1HD HIS 16 -12.035 1.048 -1.989
105 HD2 HIS 16 2HD HIS 16 -11.223 5.118 -2.176
106 HE1 HIS 16 1HE HIS 16 -11.931 1.650 -4.456
107 H CYS 17 H CYS 17 -8.638 1.764 -1.194
108 HA CYS 17 HA CYS 17 -6.796 4.018 -1.150
109 HB2 CYS 17 2HB CYS 17 -6.020 1.612 -1.166
110 HB3 CYS 17 1HB CYS 17 -6.707 1.471 -2.776
111 H GLY 18 H GLY 18 -7.911 5.648 -2.223
112 HA2 GLY 18 2HA GLY 18 -9.011 4.967 -4.834
113 HA3 GLY 18 1HA GLY 18 -9.311 6.465 -3.969
114 H SER 19 H SER 19 -6.715 7.143 -3.296
115 HA SER 19 HA SER 19 -5.570 7.634 -5.922
116 HB2 SER 19 2HB SER 19 -6.084 9.645 -4.622
117 HB3 SER 19 1HB SER 19 -5.097 9.051 -3.291
118 HG SER 19 HG SER 19 -4.351 10.049 -5.787
119 H SER 20 H SER 20 -4.154 6.184 -6.431
120 HA SER 20 HA SER 20 -2.757 4.474 -4.757
121 HB2 SER 20 2HB SER 20 -1.931 5.383 -7.507
122 HB3 SER 20 1HB SER 20 -1.659 3.808 -6.755
123 HG SER 20 HG SER 20 -3.537 3.204 -7.400
124 H SER 21 H SER 21 -1.953 7.616 -6.141
125 HA SER 21 HA SER 21 0.788 7.632 -5.435
126 HB2 SER 21 2HB SER 21 -0.147 9.063 -7.208
127 HB3 SER 21 1HB SER 21 -1.089 9.941 -6.010
128 HG SER 21 HG SER 21 1.430 10.327 -6.810
129 H LYS 22 H LYS 22 -2.148 8.809 -3.837
130 HA LYS 22 HA LYS 22 -0.704 10.069 -1.741
131 HB2 LYS 22 2HB LYS 22 -3.604 9.315 -1.941
132 HB3 LYS 22 1HB LYS 22 -2.920 10.203 -0.596
133 HG2 LYS 22 2HG LYS 22 -2.925 11.124 -3.470
134 HG3 LYS 22 1HG LYS 22 -4.041 11.665 -2.220
135 HD2 LYS 22 2HD LYS 22 -1.033 12.048 -2.170
136 HD3 LYS 22 1HD LYS 22 -2.214 13.269 -2.621
137 HE2 LYS 22 2HE LYS 22 -2.040 11.936 0.086
138 HE3 LYS 22 1HE LYS 22 -1.435 13.541 -0.303
139 HZ1 LYS 22 3HZ LYS 22 -3.561 13.661 0.753
140 HZ2 LYS 22 1HZ LYS 22 -4.279 12.679 -0.412
141 HZ3 LYS 22 2HZ LYS 22 -3.707 14.205 -0.837
142 H CYS 23 H CYS 23 -2.185 6.875 -2.130
143 HA CYS 23 HA CYS 23 -1.974 6.263 0.609
144 HB2 CYS 23 2HB CYS 23 -2.605 4.071 0.101
145 HB3 CYS 23 1HB CYS 23 -3.361 5.010 -1.173
146 H SER 24 H SER 24 0.156 5.700 -2.125
147 HA SER 24 HA SER 24 2.081 4.244 -0.747
148 HB2 SER 24 2HB SER 24 3.527 4.978 -2.715
149 HB3 SER 24 1HB SER 24 2.060 4.072 -3.085
150 HG SER 24 HG SER 24 1.201 5.733 -3.962
151 H GLN 25 H GLN 25 1.947 7.700 -1.609
152 HA GLN 25 HA GLN 25 4.360 8.423 -0.411
153 HB2 GLN 25 2HB GLN 25 3.257 9.894 -1.970
154 HB3 GLN 25 1HB GLN 25 1.861 10.046 -0.919
155 HG2 GLN 25 2HG GLN 25 3.151 11.292 0.691
156 HG3 GLN 25 1HG GLN 25 4.624 11.029 -0.240
157 HE21 GLN 25 1HE2 GLN 25 3.240 13.507 0.573
158 HE22 GLN 25 2HE2 GLN 25 2.993 14.395 -0.867
159 H GLN 26 H GLN 26 1.072 8.332 0.968
160 HA GLN 26 HA GLN 26 1.767 9.459 3.472
161 HB2 GLN 26 2HB GLN 26 -0.545 9.258 2.509
162 HB3 GLN 26 1HB GLN 26 -0.483 7.547 2.884
163 HG2 GLN 26 2HG GLN 26 -0.238 8.076 5.254
164 HG3 GLN 26 1HG GLN 26 -0.325 9.796 4.870
165 HE21 GLN 26 1HE2 GLN 26 -2.067 6.866 5.209
166 HE22 GLN 26 2HE2 GLN 26 -3.644 7.521 5.046
167 H CYS 27 H CYS 27 1.424 6.133 2.392
168 HA CYS 27 HA CYS 27 1.890 4.715 4.750
169 HB2 CYS 27 2HB CYS 27 1.053 3.794 2.639
170 HB3 CYS 27 1HB CYS 27 2.586 4.125 1.870
171 H LYS 28 H LYS 28 4.097 5.708 2.217
172 HA LYS 28 HA LYS 28 6.569 4.832 3.140
173 HB2 LYS 28 2HB LYS 28 6.051 5.425 0.883
174 HB3 LYS 28 1HB LYS 28 5.630 7.047 1.357
175 HG2 LYS 28 2HG LYS 28 7.997 7.471 1.865
176 HG3 LYS 28 1HG LYS 28 8.377 5.835 1.290
177 HD2 LYS 28 2HD LYS 28 7.378 6.337 -0.868
178 HD3 LYS 28 1HD LYS 28 6.939 7.945 -0.310
179 HE2 LYS 28 2HE LYS 28 9.730 6.877 -0.692
180 HE3 LYS 28 1HE LYS 28 8.830 7.996 -1.728
181 HZ1 LYS 28 3HZ LYS 28 9.733 8.565 1.055
182 HZ2 LYS 28 1HZ LYS 28 8.785 9.584 0.084
183 HZ3 LYS 28 2HZ LYS 28 10.347 9.202 -0.379
184 H ASP 29 H ASP 29 5.108 8.078 3.211
185 HA ASP 29 HA ASP 29 7.111 9.449 4.573
186 HB2 ASP 29 2HB ASP 29 5.369 10.598 3.342
187 HB3 ASP 29 1HB ASP 29 4.144 9.971 4.430
188 H ARG 30 H ARG 30 4.338 7.642 5.810
189 HA ARG 30 HA ARG 30 4.733 8.578 8.412
190 HB2 ARG 30 2HB ARG 30 2.526 8.070 7.741
191 HB3 ARG 30 1HB ARG 30 2.980 6.463 7.212
192 HG2 ARG 30 2HG ARG 30 1.767 6.310 9.222
193 HG3 ARG 30 1HG ARG 30 3.459 5.867 9.486
194 HD2 ARG 30 2HD ARG 30 3.837 8.156 10.425
195 HD3 ARG 30 1HD ARG 30 2.104 8.461 10.273
196 HE ARG 30 HE ARG 30 2.752 6.081 11.760
197 HH11 ARG 30 1HH1 ARG 30 2.174 9.567 12.053
198 HH12 ARG 30 2HH1 ARG 30 1.858 9.487 13.729
199 HH21 ARG 30 1HH2 ARG 30 2.307 6.030 14.056
200 HH22 ARG 30 2HH2 ARG 30 1.929 7.483 14.865
201 H GLU 31 H GLU 31 4.987 5.137 7.209
202 HA GLU 31 HA GLU 31 7.257 4.726 9.018
203 HB2 GLU 31 2HB GLU 31 4.550 3.555 9.706
204 HB3 GLU 31 1HB GLU 31 6.063 2.971 10.367
205 HG2 GLU 31 2HG GLU 31 6.432 5.035 11.508
206 HG3 GLU 31 1HG GLU 31 5.049 5.786 10.727
207 H HIS 32 H HIS 32 6.637 4.097 6.134
208 HA HIS 32 HA HIS 32 6.906 1.241 6.489
209 HB2 HIS 32 2HB HIS 32 5.158 2.488 4.412
210 HB3 HIS 32 1HB HIS 32 5.741 0.834 4.271
211 HD1 HIS 32 1HD HIS 32 3.491 2.986 6.412
212 HD2 HIS 32 2HD HIS 32 4.487 -1.005 5.871
213 HE1 HIS 32 1HE HIS 32 1.849 1.676 7.781
214 H PHE 33 H PHE 33 7.059 2.318 3.188
215 HA PHE 33 HA PHE 33 9.930 1.708 3.275
216 HB2 PHE 33 2HB PHE 33 8.051 0.381 1.304
217 HB3 PHE 33 1HB PHE 33 9.743 0.005 1.598
218 HD1 PHE 33 1HD PHE 33 10.341 -0.958 3.924
219 HD2 PHE 33 2HD PHE 33 6.373 -0.789 2.396
220 HE1 PHE 33 1HE PHE 33 9.641 -2.653 5.560
221 HE2 PHE 33 2HE PHE 33 5.662 -2.485 4.030
222 HZ PHE 33 HZ PHE 33 7.297 -3.417 5.623
223 H ALA 34 H ALA 34 11.077 2.464 1.434
224 HA ALA 34 HA ALA 34 10.034 4.909 0.383
225 HB1 ALA 34 1HB ALA 34 12.221 5.206 -0.612
226 HB2 ALA 34 2HB ALA 34 12.633 3.528 -0.270
227 HB3 ALA 34 3HB ALA 34 12.389 4.663 1.059
228 H TYR 35 H TYR 35 9.626 1.816 -0.587
229 HA TYR 35 HA TYR 35 9.543 2.364 -3.430
230 HB2 TYR 35 2HB TYR 35 8.893 -0.106 -1.818
231 HB3 TYR 35 1HB TYR 35 8.616 0.001 -3.551
232 HD1 TYR 35 1HD TYR 35 11.181 -0.164 -0.920
233 HD2 TYR 35 2HD TYR 35 10.438 -0.034 -5.101
234 HE1 TYR 35 1HE TYR 35 13.498 -0.821 -1.350
235 HE2 TYR 35 2HE TYR 35 12.760 -0.688 -5.543
236 HH TYR 35 HH TYR 35 14.903 -0.624 -4.459
237 H GLY 36 H GLY 36 7.549 2.853 -0.780
238 HA2 GLY 36 2HA GLY 36 5.409 3.626 -0.654
239 HA3 GLY 36 1HA GLY 36 5.426 3.767 -2.409
240 H GLY 37 H GLY 37 3.549 2.821 -3.011
241 HA2 GLY 37 2HA GLY 37 3.236 0.050 -2.827
242 HA3 GLY 37 1HA GLY 37 2.186 0.886 -1.676
243 H ALA 38 H ALA 38 0.641 -0.250 -3.194
244 HA ALA 38 HA ALA 38 -0.329 1.738 -5.044
245 HB1 ALA 38 1HB ALA 38 0.268 -1.096 -5.912
246 HB2 ALA 38 2HB ALA 38 1.118 0.348 -6.460
247 HB3 ALA 38 3HB ALA 38 -0.580 0.113 -6.875
248 H CYS 39 H CYS 39 -2.513 0.996 -5.852
249 HA CYS 39 HA CYS 39 -4.018 0.009 -3.595
250 HB2 CYS 39 2HB CYS 39 -4.944 0.891 -6.341
251 HB3 CYS 39 1HB CYS 39 -5.984 0.563 -4.972
252 H HIS 40 H HIS 40 -4.742 -2.042 -3.406
253 HA HIS 40 HA HIS 40 -4.861 -3.710 -5.811
254 HB2 HIS 40 2HB HIS 40 -2.736 -4.083 -4.420
255 HB3 HIS 40 1HB HIS 40 -3.788 -4.635 -3.129
256 HD1 HIS 40 1HD HIS 40 -1.959 -5.791 -6.036
257 HD2 HIS 40 2HD HIS 40 -5.251 -7.062 -3.856
258 HE1 HIS 40 1HE HIS 40 -2.288 -8.212 -6.643
259 H TYR 41 H TYR 41 -6.604 -5.204 -5.707
260 HA TYR 41 HA TYR 41 -8.664 -4.394 -3.858
261 HB2 TYR 41 2HB TYR 41 -9.178 -4.884 -6.235
262 HB3 TYR 41 1HB TYR 41 -8.760 -6.574 -5.948
263 HD1 TYR 41 1HD TYR 41 -11.218 -3.928 -5.353
264 HD2 TYR 41 2HD TYR 41 -10.308 -8.026 -4.645
265 HE1 TYR 41 1HE TYR 41 -13.496 -4.300 -4.664
266 HE2 TYR 41 2HE TYR 41 -12.591 -8.423 -3.959
267 HH TYR 41 HH TYR 41 -14.519 -7.262 -3.168
268 H GLN 42 H GLN 42 -9.330 -5.394 -2.143
269 HA GLN 42 HA GLN 42 -8.744 -8.161 -1.693
270 HB2 GLN 42 2HB GLN 42 -6.876 -6.935 -0.571
271 HB3 GLN 42 1HB GLN 42 -8.044 -5.928 0.265
272 HG2 GLN 42 2HG GLN 42 -8.871 -7.862 1.483
273 HG3 GLN 42 1HG GLN 42 -7.763 -8.913 0.609
274 HE21 GLN 42 1HE2 GLN 42 -5.607 -8.902 1.149
275 HE22 GLN 42 2HE2 GLN 42 -5.014 -8.166 2.593
276 H PHE 43 H PHE 43 -10.287 -8.860 0.055
277 HA PHE 43 HA PHE 43 -12.724 -7.537 -0.355
278 HB2 PHE 43 2HB PHE 43 -12.527 -9.992 0.042
279 HB3 PHE 43 1HB PHE 43 -12.031 -9.665 1.696
280 HD1 PHE 43 2HD PHE 43 -14.810 -9.517 -0.687
281 HD2 PHE 43 1HD PHE 43 -13.638 -9.135 3.383
282 HE1 PHE 43 2HE PHE 43 -17.164 -9.541 -0.013
283 HE2 PHE 43 1HE PHE 43 -16.000 -9.153 4.062
284 HZ PHE 43 HZ PHE 43 -17.766 -9.359 2.365
285 HA PRO 44 HA PRO 44 -14.327 -6.637 0.240
286 HB2 PRO 44 2HB PRO 44 -15.966 -4.901 1.477
287 HB3 PRO 44 1HB PRO 44 -15.755 -6.564 2.034
288 HG2 PRO 44 2HG PRO 44 -14.952 -4.103 3.363
289 HG3 PRO 44 1HG PRO 44 -14.885 -5.763 3.970
290 HD2 PRO 44 2HD PRO 44 -12.761 -4.139 2.701
291 HD3 PRO 44 1HD PRO 44 -12.616 -5.530 3.799
292 H SER 45 H SER 45 -11.955 -4.502 0.215
293 HA SER 45 HA SER 45 -13.154 -2.737 -1.677
294 HB2 SER 45 2HB SER 45 -13.824 -1.679 0.491
295 HB3 SER 45 1HB SER 45 -12.114 -1.583 0.922
296 HG SER 45 HG SER 45 -13.550 -0.169 -1.051
297 H VAL 46 H VAL 46 -11.586 -1.435 -2.668
298 HA VAL 46 HA VAL 46 -9.036 -2.660 -3.027
299 HB VAL 46 HB VAL 46 -9.925 0.128 -3.865
300 HG11 VAL 46 1HG1 VAL 46 -7.703 -1.607 -4.926
301 HG12 VAL 46 2HG1 VAL 46 -7.517 -0.192 -3.895
302 HG13 VAL 46 3HG1 VAL 46 -8.158 -0.010 -5.533
303 HG21 VAL 46 3HG2 VAL 46 -9.953 -2.403 -5.483
304 HG22 VAL 46 1HG2 VAL 46 -10.469 -0.815 -6.027
305 HG23 VAL 46 2HG2 VAL 46 -11.392 -1.659 -4.776
306 H LYS 47 H LYS 47 -7.351 -2.451 -1.684
307 HA LYS 47 HA LYS 47 -7.219 -0.023 -0.062
308 HB2 LYS 47 2HB LYS 47 -8.038 -2.012 1.242
309 HB3 LYS 47 1HB LYS 47 -6.519 -2.816 0.893
310 HG2 LYS 47 2HG LYS 47 -5.301 -1.341 2.269
311 HG3 LYS 47 1HG LYS 47 -6.631 -0.181 2.333
312 HD2 LYS 47 2HD LYS 47 -7.980 -1.846 3.561
313 HD3 LYS 47 1HD LYS 47 -6.596 -2.938 3.551
314 HE2 LYS 47 2HE LYS 47 -6.479 -0.168 4.717
315 HE3 LYS 47 1HE LYS 47 -6.976 -1.567 5.654
316 HZ1 LYS 47 3HZ LYS 47 -4.632 -1.026 5.936
317 HZ2 LYS 47 1HZ LYS 47 -4.322 -1.305 4.306
318 HZ3 LYS 47 2HZ LYS 47 -4.843 -2.552 5.344
319 H CYS 48 H CYS 48 -4.893 0.238 0.824
320 HA CYS 48 HA CYS 48 -3.235 -0.078 -1.543
321 HB2 CYS 48 2HB CYS 48 -3.500 2.184 -0.489
322 HB3 CYS 48 1HB CYS 48 -2.646 1.576 0.922
323 H PHE 49 H PHE 49 -1.403 -1.131 -1.590
324 HA PHE 49 HA PHE 49 -0.526 -2.573 0.798
325 HB2 PHE 49 2HB PHE 49 -0.776 -3.536 -2.051
326 HB3 PHE 49 1HB PHE 49 0.224 -4.353 -0.857
327 HD1 PHE 49 1HD PHE 49 -3.300 -3.217 -1.410
328 HD2 PHE 49 2HD PHE 49 -0.702 -6.065 0.390
329 HE1 PHE 49 1HE PHE 49 -5.244 -4.540 -0.713
330 HE2 PHE 49 2HE PHE 49 -2.640 -7.391 1.094
331 HZ PHE 49 HZ PHE 49 -4.917 -6.633 0.548
332 H CYS 50 H CYS 50 1.433 -2.007 1.287
333 HA CYS 50 HA CYS 50 3.025 -0.596 -0.661
334 HB2 CYS 50 2HB CYS 50 3.226 -0.780 2.343
335 HB3 CYS 50 1HB CYS 50 4.463 -0.007 1.343
336 H LYS 51 H LYS 51 5.102 -1.054 -1.119
337 HA LYS 51 HA LYS 51 5.489 -3.937 -1.280
338 HB2 LYS 51 2HB LYS 51 6.721 -1.651 -2.815
339 HB3 LYS 51 1HB LYS 51 7.049 -3.348 -3.102
340 HG2 LYS 51 2HG LYS 51 4.732 -3.743 -3.699
341 HG3 LYS 51 1HG LYS 51 4.337 -2.068 -3.335
342 HD2 LYS 51 2HD LYS 51 6.278 -2.945 -5.483
343 HD3 LYS 51 1HD LYS 51 4.589 -2.542 -5.773
344 HE2 LYS 51 2HE LYS 51 5.033 -0.279 -4.853
345 HE3 LYS 51 1HE LYS 51 6.737 -0.703 -4.724
346 HZ1 LYS 51 3HZ LYS 51 5.166 -0.590 -7.255
347 HZ2 LYS 51 1HZ LYS 51 6.794 -1.019 -7.143
348 HZ3 LYS 51 2HZ LYS 51 6.269 0.535 -6.755
349 H ARG 52 H ARG 52 6.823 -4.843 0.114
350 HA ARG 52 HA ARG 52 9.091 -3.248 1.104
351 HB2 ARG 52 2HB ARG 52 9.299 -4.727 2.979
352 HB3 ARG 52 1HB ARG 52 7.602 -4.307 2.840
353 HG2 ARG 52 2HG ARG 52 7.079 -6.447 1.915
354 HG3 ARG 52 1HG ARG 52 8.789 -6.864 1.780
355 HD2 ARG 52 2HD ARG 52 7.197 -6.464 4.317
356 HD3 ARG 52 1HD ARG 52 7.861 -7.978 3.708
357 HE ARG 52 HE ARG 52 9.317 -5.766 4.931
358 HH11 ARG 52 1HH1 ARG 52 9.432 -9.092 3.651
359 HH12 ARG 52 2HH1 ARG 52 10.999 -9.373 4.254
360 HH21 ARG 52 1HH2 ARG 52 11.448 -6.225 5.749
361 HH22 ARG 52 2HH2 ARG 52 12.165 -7.732 5.432
362 H GLN 53 H GLN 53 11.191 -4.131 1.117
363 HA GLN 53 HA GLN 53 11.812 -5.774 -1.128
364 HB2 GLN 53 2HB GLN 53 13.481 -4.632 1.102
365 HB3 GLN 53 1HB GLN 53 14.117 -5.492 -0.287
366 HG2 GLN 53 2HG GLN 53 13.306 -3.753 -1.744
367 HG3 GLN 53 1HG GLN 53 12.561 -2.939 -0.374
368 HE21 GLN 53 1HE2 GLN 53 13.814 -1.904 1.083
369 HE22 GLN 53 2HE2 GLN 53 15.479 -1.511 0.823
370 H CYS 54 H CYS 54 11.653 -7.928 -1.032
371 HA CYS 54 HA CYS 54 12.327 -9.225 1.496
372 HB2 CYS 54 2HB CYS 54 10.732 -10.269 -0.864
373 HB3 CYS 54 1HB CYS 54 11.075 -11.167 0.610