Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
637718 | 6dmz RC | 30475 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 1HT ARG 1 -8.448 -12.764 -7.149
2 H2 ARG 1 2HT ARG 1 -10.061 -13.197 -7.080
3 H3 ARG 1 3HT ARG 1 -9.193 -12.973 -5.648
4 HA ARG 1 HA ARG 1 -9.853 -10.881 -7.652
5 HB2 ARG 1 2HB ARG 1 -10.815 -11.354 -4.827
6 HB3 ARG 1 1HB ARG 1 -11.065 -9.851 -5.695
7 HG2 ARG 1 2HG ARG 1 -12.425 -11.031 -7.341
8 HG3 ARG 1 1HG ARG 1 -12.142 -12.549 -6.485
9 HD2 ARG 1 2HD ARG 1 -13.460 -10.116 -5.293
10 HD3 ARG 1 1HD ARG 1 -14.321 -11.519 -5.923
11 HE ARG 1 HE ARG 1 -12.978 -12.801 -4.206
12 HH11 ARG 1 1HH1 ARG 1 -13.920 -9.416 -3.630
13 HH12 ARG 1 2HH1 ARG 1 -14.023 -9.610 -1.949
14 HH21 ARG 1 1HH2 ARG 1 -13.103 -13.018 -1.933
15 HH22 ARG 1 2HH2 ARG 1 -13.550 -11.703 -0.936
16 H THR 2 HN THR 2 -9.023 -8.794 -7.155
17 HA THR 2 HA THR 2 -6.662 -8.866 -5.490
18 HB THR 2 HB THR 2 -6.489 -6.477 -6.590
19 HG1 THR 2 1HG THR 2 -8.024 -6.107 -7.984
20 HG21 THR 2 1HG2 THR 2 -4.922 -8.330 -6.983
21 HG22 THR 2 2HG2 THR 2 -5.267 -7.470 -8.480
22 HG23 THR 2 3HG2 THR 2 -6.033 -9.028 -8.162
23 H CYS 3 HN CYS 3 -6.699 -8.005 -3.531
24 HA CYS 3 HA CYS 3 -8.843 -6.113 -2.900
25 HB2 CYS 3 2HB CYS 3 -7.599 -8.245 -1.169
26 HB3 CYS 3 1HB CYS 3 -8.825 -7.100 -0.615
27 H GLN 4 HN GLN 4 -8.131 -4.254 -2.145
28 HA GLN 4 HA GLN 4 -5.299 -4.055 -1.403
29 HB2 GLN 4 2HB GLN 4 -7.092 -2.006 -2.692
30 HB3 GLN 4 1HB GLN 4 -5.530 -1.609 -2.010
31 HG2 GLN 4 2HG GLN 4 -4.471 -3.191 -3.569
32 HG3 GLN 4 1HG GLN 4 -6.054 -3.515 -4.275
33 HE21 GLN 4 1HE2 GLN 4 -3.605 -2.388 -5.439
34 HE22 GLN 4 2HE2 GLN 4 -4.088 -0.861 -6.105
35 H SER 5 HN SER 5 -4.843 -3.718 0.549
36 HA SER 5 HA SER 5 -6.777 -2.384 2.315
37 HB2 SER 5 2HB SER 5 -4.671 -4.462 2.996
38 HB3 SER 5 1HB SER 5 -5.874 -3.781 4.094
39 HG SER 5 HG SER 5 -7.098 -4.769 1.927
40 H GLN 6 HN GLN 6 -5.892 -0.628 3.498
41 HA GLN 6 HA GLN 6 -3.512 0.409 2.351
42 HB2 GLN 6 2HB GLN 6 -3.763 2.342 3.819
43 HB3 GLN 6 1HB GLN 6 -5.225 1.985 2.924
44 HG2 GLN 6 2HG GLN 6 -6.269 1.106 4.860
45 HG3 GLN 6 1HG GLN 6 -4.761 1.178 5.774
46 HE21 GLN 6 1HE2 GLN 6 -5.636 2.464 7.319
47 HE22 GLN 6 2HE2 GLN 6 -6.039 4.128 7.074
48 H SER 7 HN SER 7 -1.581 0.823 3.184
49 HA SER 7 HA SER 7 -0.605 -0.983 5.123
50 HB2 SER 7 2HB SER 7 0.745 1.442 3.976
51 HB3 SER 7 1HB SER 7 1.499 -0.082 4.484
52 HG SER 7 HG SER 7 0.974 -0.941 2.568
53 H HIS 8 HN HIS 8 -1.095 -0.628 7.195
54 HA HIS 8 HA HIS 8 -1.925 1.905 8.188
55 HB2 HIS 8 2HB HIS 8 -2.896 -0.211 8.985
56 HB3 HIS 8 1HB HIS 8 -1.346 -0.656 9.689
57 HD1 HIS 8 1HD HIS 8 -0.978 0.085 12.091
58 HD2 HIS 8 2HD HIS 8 -4.093 2.103 10.226
59 HE1 HIS 8 1HE HIS 8 -2.031 1.513 13.860
60 H ARG 9 HN ARG 9 0.976 -0.055 8.539
61 HA ARG 9 HA ARG 9 2.108 1.868 10.406
62 HB2 ARG 9 2HB ARG 9 4.020 0.356 10.596
63 HB3 ARG 9 1HB ARG 9 2.513 -0.518 10.798
64 HG2 ARG 9 2HG ARG 9 2.717 -1.276 8.434
65 HG3 ARG 9 1HG ARG 9 4.288 -0.491 8.369
66 HD2 ARG 9 2HD ARG 9 3.497 -2.681 10.281
67 HD3 ARG 9 1HD ARG 9 4.448 -2.919 8.830
68 HE ARG 9 HE ARG 9 5.568 -0.969 10.604
69 HH11 ARG 9 1HH1 ARG 9 5.488 -4.474 9.898
70 HH12 ARG 9 2HH1 ARG 9 6.880 -4.809 10.802
71 HH21 ARG 9 1HH2 ARG 9 7.508 -1.477 11.826
72 HH22 ARG 9 2HH2 ARG 9 8.069 -3.079 11.902
73 H PHE 10 HN PHE 10 1.649 2.173 7.370
74 HA PHE 10 HA PHE 10 4.243 2.817 6.295
75 HB2 PHE 10 2HB PHE 10 2.381 2.052 4.891
76 HB3 PHE 10 1HB PHE 10 1.457 3.491 5.301
77 HD1 PHE 10 1HD PHE 10 1.755 5.498 4.031
78 HD2 PHE 10 2HD PHE 10 4.499 2.264 3.604
79 HE1 PHE 10 1HE PHE 10 2.772 6.607 2.124
80 HE2 PHE 10 2HE PHE 10 5.512 3.376 1.707
81 HZ PHE 10 HZ PHE 10 4.661 5.556 0.945
82 H ARG 11 HN ARG 11 4.984 4.938 5.822
83 HA ARG 11 HA ARG 11 3.690 7.075 7.301
84 HB2 ARG 11 2HB ARG 11 5.854 7.863 8.124
85 HB3 ARG 11 1HB ARG 11 5.488 6.252 8.712
86 HG2 ARG 11 2HG ARG 11 7.013 5.296 7.080
87 HG3 ARG 11 1HG ARG 11 7.369 6.913 6.462
88 HD2 ARG 11 2HD ARG 11 8.160 7.562 8.684
89 HD3 ARG 11 1HD ARG 11 7.848 5.928 9.259
90 HE ARG 11 HE ARG 11 9.500 5.709 7.046
91 HH11 ARG 11 1HH1 ARG 11 9.692 7.024 10.299
92 HH12 ARG 11 2HH1 ARG 11 11.379 6.804 10.446
93 HH21 ARG 11 1HH2 ARG 11 11.794 5.427 7.225
94 HH22 ARG 11 2HH2 ARG 11 12.599 5.869 8.656
95 H GLY 12 HN GLY 12 3.928 9.091 6.410
96 HA2 GLY 12 2HA GLY 12 4.396 10.660 4.808
97 HA3 GLY 12 1HA GLY 12 5.517 9.524 4.062
98 HA PRO 13 HA PRO 13 1.763 9.351 1.451
99 HB2 PRO 13 2HB PRO 13 2.631 10.637 -0.740
100 HB3 PRO 13 1HB PRO 13 1.955 11.515 0.633
101 HG2 PRO 13 2HG PRO 13 4.780 11.246 -0.225
102 HG3 PRO 13 1HG PRO 13 3.984 12.583 0.616
103 HD2 PRO 13 2HD PRO 13 5.584 10.559 1.787
104 HD3 PRO 13 1HD PRO 13 4.588 11.749 2.642
105 H CYS 14 HN CYS 14 1.617 8.188 -0.644
106 HA CYS 14 HA CYS 14 3.565 6.102 -0.707
107 HB2 CYS 14 2HB CYS 14 2.083 5.002 -2.349
108 HB3 CYS 14 1HB CYS 14 1.223 5.511 -0.903
109 H LEU 15 HN LEU 15 4.023 8.968 -1.857
110 HA LEU 15 HA LEU 15 4.414 8.917 -4.622
111 HB2 LEU 15 2HB LEU 15 6.020 10.401 -2.549
112 HB3 LEU 15 1HB LEU 15 6.080 10.709 -4.268
113 HG LEU 15 HG LEU 15 3.693 11.128 -2.477
114 HD11 LEU 15 1HD1 LEU 15 4.086 13.487 -2.918
115 HD12 LEU 15 2HD1 LEU 15 5.533 13.078 -3.843
116 HD13 LEU 15 3HD1 LEU 15 5.466 12.744 -2.110
117 HD21 LEU 15 1HD2 LEU 15 2.690 12.200 -4.444
118 HD22 LEU 15 2HD2 LEU 15 2.987 10.486 -4.712
119 HD23 LEU 15 3HD2 LEU 15 4.068 11.689 -5.421
120 H ARG 16 HN ARG 16 6.768 8.191 -2.047
121 HA ARG 16 HA ARG 16 8.521 7.108 -4.049
122 HB2 ARG 16 2HB ARG 16 9.439 8.255 -1.996
123 HB3 ARG 16 1HB ARG 16 8.794 6.936 -1.028
124 HG2 ARG 16 2HG ARG 16 11.163 6.617 -1.413
125 HG3 ARG 16 1HG ARG 16 10.242 5.357 -2.245
126 HD2 ARG 16 2HD ARG 16 10.416 6.695 -4.327
127 HD3 ARG 16 1HD ARG 16 11.455 7.835 -3.469
128 HE ARG 16 HE ARG 16 12.606 5.392 -3.132
129 HH11 ARG 16 1HH1 ARG 16 11.693 7.385 -5.912
130 HH12 ARG 16 2HH1 ARG 16 12.872 6.739 -6.958
131 HH21 ARG 16 1HH2 ARG 16 14.182 4.442 -4.600
132 HH22 ARG 16 2HH2 ARG 16 14.315 5.019 -6.198
133 H ARG 17 HN ARG 17 7.687 5.377 -4.956
134 HA ARG 17 HA ARG 17 5.860 3.672 -3.667
135 HB2 ARG 17 2HB ARG 17 7.363 3.130 -6.223
136 HB3 ARG 17 1HB ARG 17 5.913 2.315 -5.669
137 HG2 ARG 17 2HG ARG 17 4.702 4.468 -5.815
138 HG3 ARG 17 1HG ARG 17 6.161 5.199 -6.479
139 HD2 ARG 17 2HD ARG 17 4.596 2.919 -7.685
140 HD3 ARG 17 1HD ARG 17 4.658 4.577 -8.267
141 HE ARG 17 HE ARG 17 6.995 4.240 -8.758
142 HH11 ARG 17 1HH1 ARG 17 5.006 1.332 -8.363
143 HH12 ARG 17 2HH1 ARG 17 6.067 0.328 -9.256
144 HH21 ARG 17 1HH2 ARG 17 8.439 2.814 -9.972
145 HH22 ARG 17 2HH2 ARG 17 8.017 1.182 -10.185
146 H SER 18 HN SER 18 9.305 3.590 -3.907
147 HA SER 18 HA SER 18 9.922 0.958 -3.382
148 HB2 SER 18 2HB SER 18 11.255 3.313 -2.083
149 HB3 SER 18 1HB SER 18 11.993 1.812 -2.647
150 HG SER 18 HG SER 18 11.370 2.471 -4.791
151 H ASN 19 HN ASN 19 9.032 3.597 -1.168
152 HA ASN 19 HA ASN 19 9.403 2.121 1.233
153 HB2 ASN 19 2HB ASN 19 9.491 4.594 1.127
154 HB3 ASN 19 1HB ASN 19 7.788 4.631 0.701
155 HD21 ASN 19 1HD2 ASN 19 7.343 5.918 2.492
156 HD22 ASN 19 2HD2 ASN 19 7.294 5.303 4.086
157 H CYS 20 HN CYS 20 6.776 2.721 -0.932
158 HA CYS 20 HA CYS 20 4.649 1.673 0.623
159 HB2 CYS 20 2HB CYS 20 4.378 3.171 -1.350
160 HB3 CYS 20 1HB CYS 20 4.972 1.892 -2.389
161 H ALA 21 HN ALA 21 6.653 0.279 -1.983
162 HA ALA 21 HA ALA 21 5.597 -2.314 -1.932
163 HB1 ALA 21 1HB ALA 21 6.923 -1.388 -3.786
164 HB2 ALA 21 2HB ALA 21 7.568 -2.927 -3.214
165 HB3 ALA 21 3HB ALA 21 8.356 -1.417 -2.759
166 H ASN 22 HN ASN 22 8.443 -0.922 -0.320
167 HA ASN 22 HA ASN 22 9.370 -3.256 0.862
168 HB2 ASN 22 2HB ASN 22 9.678 -0.377 1.652
169 HB3 ASN 22 1HB ASN 22 10.316 -1.651 2.679
170 HD21 ASN 22 1HD2 ASN 22 12.402 -0.937 2.354
171 HD22 ASN 22 2HD2 ASN 22 13.269 -1.198 0.883
172 H VAL 23 HN VAL 23 7.095 -0.879 2.260
173 HA VAL 23 HA VAL 23 6.764 -2.305 4.666
174 HB VAL 23 HB VAL 23 4.848 -0.356 3.315
175 HG11 VAL 23 1HG1 VAL 23 4.787 -1.407 6.151
176 HG12 VAL 23 2HG1 VAL 23 3.619 -1.781 4.885
177 HG13 VAL 23 3HG1 VAL 23 3.752 -0.135 5.504
178 HG21 VAL 23 1HG2 VAL 23 5.689 1.231 5.014
179 HG22 VAL 23 2HG2 VAL 23 6.948 0.671 3.916
180 HG23 VAL 23 3HG2 VAL 23 6.843 0.010 5.551
181 H CYS 24 HN CYS 24 4.882 -2.338 1.672
182 HA CYS 24 HA CYS 24 3.016 -4.188 2.592
183 HB2 CYS 24 2HB CYS 24 3.843 -3.382 -0.164
184 HB3 CYS 24 1HB CYS 24 2.590 -4.586 0.087
185 H ARG 25 HN ARG 25 6.105 -4.778 0.922
186 HA ARG 25 HA ARG 25 5.499 -7.543 0.718
187 HB2 ARG 25 2HB ARG 25 7.165 -6.331 -0.783
188 HB3 ARG 25 1HB ARG 25 8.293 -6.383 0.564
189 HG2 ARG 25 2HG ARG 25 8.747 -8.202 -1.014
190 HG3 ARG 25 1HG ARG 25 8.211 -8.849 0.540
191 HD2 ARG 25 2HD ARG 25 5.945 -9.121 -0.343
192 HD3 ARG 25 1HD ARG 25 6.448 -8.437 -1.878
193 HE ARG 25 HE ARG 25 8.052 -10.578 -1.603
194 HH11 ARG 25 1HH1 ARG 25 4.563 -10.184 -1.229
195 HH12 ARG 25 2HH1 ARG 25 4.138 -11.720 -1.854
196 HH21 ARG 25 1HH2 ARG 25 7.492 -12.736 -2.481
197 HH22 ARG 25 2HH2 ARG 25 5.864 -13.210 -2.553
198 H THR 26 HN THR 26 7.177 -5.586 3.131
199 HA THR 26 HA THR 26 8.125 -7.832 4.565
200 HB THR 26 HB THR 26 8.353 -6.179 6.506
201 HG1 THR 26 1HG THR 26 7.933 -4.206 4.544
202 HG21 THR 26 1HG2 THR 26 10.218 -6.723 5.022
203 HG22 THR 26 2HG2 THR 26 10.240 -5.017 5.480
204 HG23 THR 26 3HG2 THR 26 9.666 -5.494 3.883
205 H GLU 27 HN GLU 27 5.117 -6.020 4.672
206 HA GLU 27 HA GLU 27 4.199 -7.453 6.962
207 HB2 GLU 27 2HB GLU 27 2.662 -5.717 5.020
208 HB3 GLU 27 1HB GLU 27 1.969 -6.439 6.468
209 HG2 GLU 27 2HG GLU 27 4.180 -4.422 6.343
210 HG3 GLU 27 1HG GLU 27 2.520 -4.141 6.850
211 H GLY 28 HN GLY 28 4.677 -8.471 3.889
212 HA2 GLY 28 2HA GLY 28 4.373 -10.742 3.305
213 HA3 GLY 28 1HA GLY 28 3.020 -10.822 4.414
214 H PHE 29 HN PHE 29 3.353 -8.317 1.986
215 HA PHE 29 HA PHE 29 1.076 -9.508 0.589
216 HB2 PHE 29 2HB PHE 29 1.852 -6.613 0.916
217 HB3 PHE 29 1HB PHE 29 0.530 -7.180 -0.099
218 HD1 PHE 29 1HD PHE 29 1.459 -6.091 3.132
219 HD2 PHE 29 2HD PHE 29 -1.224 -8.596 1.037
220 HE1 PHE 29 1HE PHE 29 -0.068 -6.034 5.051
221 HE2 PHE 29 2HE PHE 29 -2.777 -8.553 2.921
222 HZ PHE 29 HZ PHE 29 -2.204 -7.261 4.956
223 HA PRO 30 HA PRO 30 3.436 -9.773 -3.163
224 HB2 PRO 30 2HB PRO 30 1.190 -8.531 -4.615
225 HB3 PRO 30 1HB PRO 30 1.931 -10.112 -4.851
226 HG2 PRO 30 2HG PRO 30 -0.496 -9.808 -3.725
227 HG3 PRO 30 1HG PRO 30 0.605 -11.119 -3.271
228 HD2 PRO 30 2HD PRO 30 -0.094 -8.629 -1.804
229 HD3 PRO 30 1HD PRO 30 0.351 -10.223 -1.180
230 H GLY 31 HN GLY 31 1.484 -6.749 -3.114
231 HA2 GLY 31 2HA GLY 31 3.888 -5.205 -3.504
232 HA3 GLY 31 1HA GLY 31 2.795 -5.238 -4.884
233 H GLY 32 HN GLY 32 3.426 -2.897 -3.675
234 HA2 GLY 32 2HA GLY 32 0.921 -2.219 -2.292
235 HA3 GLY 32 1HA GLY 32 2.468 -1.457 -1.915
236 H ARG 33 HN ARG 33 -0.201 -0.549 -3.118
237 HA ARG 33 HA ARG 33 0.977 0.941 -5.373
238 HB2 ARG 33 2HB ARG 33 -1.852 -0.151 -5.355
239 HB3 ARG 33 1HB ARG 33 -1.039 0.669 -6.676
240 HG2 ARG 33 2HG ARG 33 -0.360 -2.067 -5.603
241 HG3 ARG 33 1HG ARG 33 -1.250 -1.729 -7.085
242 HD2 ARG 33 2HD ARG 33 0.683 -0.730 -8.086
243 HD3 ARG 33 1HD ARG 33 1.561 -0.793 -6.557
244 HE ARG 33 HE ARG 33 0.639 -3.317 -7.606
245 HH11 ARG 33 1HH1 ARG 33 3.313 -1.018 -7.495
246 HH12 ARG 33 2HH1 ARG 33 4.524 -2.210 -7.720
247 HH21 ARG 33 1HH2 ARG 33 2.338 -4.963 -7.875
248 HH22 ARG 33 2HH2 ARG 33 3.967 -4.449 -7.925
249 H CYS 34 HN CYS 34 -0.558 2.872 -5.863
250 HA CYS 34 HA CYS 34 -1.365 4.045 -3.338
251 HB2 CYS 34 2HB CYS 34 -1.109 5.183 -6.126
252 HB3 CYS 34 1HB CYS 34 -1.702 6.124 -4.769
253 H ARG 35 HN ARG 35 -3.404 4.395 -2.743
254 HA ARG 35 HA ARG 35 -5.587 4.237 -4.665
255 HB2 ARG 35 2HB ARG 35 -5.189 1.894 -4.123
256 HB3 ARG 35 1HB ARG 35 -5.324 2.241 -2.416
257 HG2 ARG 35 2HG ARG 35 -7.298 1.108 -3.199
258 HG3 ARG 35 1HG ARG 35 -7.706 2.749 -2.717
259 HD2 ARG 35 2HD ARG 35 -7.169 1.992 -5.589
260 HD3 ARG 35 1HD ARG 35 -8.769 1.870 -4.860
261 HE ARG 35 HE ARG 35 -7.954 4.396 -4.318
262 HH11 ARG 35 1HH1 ARG 35 -8.395 2.565 -7.315
263 HH12 ARG 35 2HH1 ARG 35 -8.800 3.920 -8.259
264 HH21 ARG 35 1HH2 ARG 35 -8.565 6.259 -5.607
265 HH22 ARG 35 2HH2 ARG 35 -8.931 6.074 -7.244
266 H GLY 36 HN GLY 36 -4.339 5.560 -1.825
267 HA2 GLY 36 2HA GLY 36 -6.956 6.173 -0.682
268 HA3 GLY 36 1HA GLY 36 -5.394 6.489 0.061
269 H PHE 37 HN PHE 37 -7.460 8.386 -0.097
270 HA PHE 37 HA PHE 37 -7.114 10.191 -2.299
271 HB2 PHE 37 2HB PHE 37 -8.068 11.018 0.440
272 HB3 PHE 37 1HB PHE 37 -8.550 11.657 -1.120
273 HD1 PHE 37 1HD PHE 37 -9.399 9.568 1.540
274 HD2 PHE 37 2HD PHE 37 -9.864 9.983 -2.656
275 HE1 PHE 37 1HE PHE 37 -11.329 8.106 1.640
276 HE2 PHE 37 2HE PHE 37 -11.831 8.504 -2.586
277 HZ PHE 37 HZ PHE 37 -12.575 7.553 -0.434
278 H ARG 38 HN ARG 38 -5.887 9.782 0.909
279 HA ARG 38 HA ARG 38 -4.326 12.220 0.921
280 HB2 ARG 38 2HB ARG 38 -4.593 10.000 2.952
281 HB3 ARG 38 1HB ARG 38 -3.722 11.506 3.210
282 HG2 ARG 38 2HG ARG 38 -5.795 12.763 2.890
283 HG3 ARG 38 1HG ARG 38 -6.665 11.251 2.640
284 HD2 ARG 38 2HD ARG 38 -5.164 11.964 5.146
285 HD3 ARG 38 1HD ARG 38 -6.890 12.218 4.912
286 HE ARG 38 HE ARG 38 -6.246 9.536 4.370
287 HH11 ARG 38 1HH1 ARG 38 -6.517 11.786 7.099
288 HH12 ARG 38 2HH1 ARG 38 -6.908 10.572 8.225
289 HH21 ARG 38 1HH2 ARG 38 -6.855 7.862 5.973
290 HH22 ARG 38 2HH2 ARG 38 -7.131 8.358 7.578
291 H ARG 39 HN ARG 39 -3.812 9.946 -0.889
292 HA ARG 39 HA ARG 39 -2.180 8.776 -1.827
293 HB2 ARG 39 2HB ARG 39 -0.383 10.850 -0.545
294 HB3 ARG 39 1HB ARG 39 0.095 9.765 -1.844
295 HG2 ARG 39 2HG ARG 39 -1.681 10.736 -3.267
296 HG3 ARG 39 1HG ARG 39 -2.043 11.882 -1.983
297 HD2 ARG 39 2HD ARG 39 0.596 11.616 -3.414
298 HD3 ARG 39 1HD ARG 39 -0.626 12.835 -3.745
299 HE ARG 39 HE ARG 39 0.090 12.963 -1.033
300 HH11 ARG 39 1HH1 ARG 39 1.314 13.774 -4.261
301 HH12 ARG 39 2HH1 ARG 39 2.425 14.926 -3.716
302 HH21 ARG 39 1HH2 ARG 39 1.633 14.608 -0.270
303 HH22 ARG 39 2HH2 ARG 39 2.633 15.383 -1.401
304 H ARG 40 HN ARG 40 -2.964 7.273 -0.175
305 HA ARG 40 HA ARG 40 -0.964 6.457 1.811
306 HB2 ARG 40 2HB ARG 40 -3.208 6.788 2.717
307 HB3 ARG 40 1HB ARG 40 -3.885 5.792 1.458
308 HG2 ARG 40 2HG ARG 40 -3.870 4.586 3.551
309 HG3 ARG 40 1HG ARG 40 -2.785 3.820 2.398
310 HD2 ARG 40 2HD ARG 40 -1.787 3.849 4.607
311 HD3 ARG 40 1HD ARG 40 -0.872 4.888 3.521
312 HE ARG 40 HE ARG 40 -2.582 6.596 4.674
313 HH11 ARG 40 1HH1 ARG 40 -0.564 4.101 6.213
314 HH12 ARG 40 2HH1 ARG 40 -0.123 5.077 7.534
315 HH21 ARG 40 1HH2 ARG 40 -2.023 7.905 6.503
316 HH22 ARG 40 2HH2 ARG 40 -1.015 7.308 7.730
317 H CYS 41 HN CYS 41 0.101 4.596 1.593
318 HA CYS 41 HA CYS 41 0.040 3.143 -0.833
319 HB2 CYS 41 2HB CYS 41 2.077 3.383 0.537
320 HB3 CYS 41 1HB CYS 41 1.305 2.502 1.845
321 H PHE 42 HN PHE 42 -1.092 1.388 -1.329
322 HA PHE 42 HA PHE 42 -2.583 -0.004 0.760
323 HB2 PHE 42 2HB PHE 42 -3.435 0.836 -1.980
324 HB3 PHE 42 1HB PHE 42 -4.108 -0.603 -1.241
325 HD1 PHE 42 1HD PHE 42 -6.158 -0.350 -0.265
326 HD2 PHE 42 2HD PHE 42 -3.487 2.958 -0.240
327 HE1 PHE 42 1HE PHE 42 -7.860 1.001 0.862
328 HE2 PHE 42 2HE PHE 42 -5.193 4.319 0.900
329 HZ PHE 42 HZ PHE 42 -7.381 3.342 1.449
330 H CYS 43 HN CYS 43 -1.990 -1.906 0.988
331 HA CYS 43 HA CYS 43 -0.213 -3.211 -0.833
332 HB2 CYS 43 2HB CYS 43 -1.562 -4.199 1.679
333 HB3 CYS 43 1HB CYS 43 -0.262 -5.018 0.824
334 H THR 44 HN THR 44 -0.847 -4.409 -2.448
335 HA THR 44 HA THR 44 -3.668 -5.049 -2.712
336 HB THR 44 HB THR 44 -1.433 -5.422 -4.720
337 HG1 THR 44 1HG THR 44 -2.079 -3.186 -3.738
338 HG21 THR 44 1HG2 THR 44 -3.275 -5.341 -6.353
339 HG22 THR 44 2HG2 THR 44 -4.435 -5.123 -5.046
340 HG23 THR 44 3HG2 THR 44 -3.545 -6.637 -5.189
341 H THR 45 HN THR 45 -4.212 -6.913 -1.806
342 HA THR 45 HA THR 45 -2.322 -9.134 -1.916
343 HB THR 45 HB THR 45 -2.966 -8.364 0.365
344 HG1 THR 45 1HG THR 45 -4.141 -10.786 0.554
345 HG21 THR 45 1HG2 THR 45 -5.739 -9.302 -0.384
346 HG22 THR 45 2HG2 THR 45 -5.266 -7.638 -0.042
347 HG23 THR 45 3HG2 THR 45 -5.225 -8.848 1.242
348 H HIS 46 HN HIS 46 -3.360 -11.188 -2.217
349 HA HIS 46 HA HIS 46 -5.526 -10.870 -4.145
350 HB2 HIS 46 2HB HIS 46 -3.451 -11.980 -4.960
351 HB3 HIS 46 1HB HIS 46 -3.689 -13.248 -3.766
352 HD1 HIS 46 1HD HIS 46 -4.919 -15.257 -4.636
353 HD2 HIS 46 2HD HIS 46 -5.762 -11.820 -6.804
354 HE1 HIS 46 1HE HIS 46 -6.399 -15.989 -6.538
355 H CYS 47 HN CYS 47 -7.450 -11.457 -3.629
356 HA CYS 47 HA CYS 47 -7.855 -12.992 -1.267
357 HB2 CYS 47 2HB CYS 47 -9.760 -11.427 -3.004
358 HB3 CYS 47 1HB CYS 47 -10.305 -12.431 -1.662
Start of MODEL 2
1 H1 ARG 1 1HT ARG 1 -10.101 -12.147 -6.335
2 H2 ARG 1 2HT ARG 1 -9.002 -12.655 -7.485
3 H3 ARG 1 3HT ARG 1 -10.604 -12.405 -7.933
4 HA ARG 1 HA ARG 1 -9.149 -10.655 -8.705
5 HB2 ARG 1 2HB ARG 1 -10.350 -8.703 -7.779
6 HB3 ARG 1 1HB ARG 1 -11.460 -9.999 -8.186
7 HG2 ARG 1 2HG ARG 1 -11.802 -10.543 -5.896
8 HG3 ARG 1 1HG ARG 1 -10.421 -9.556 -5.409
9 HD2 ARG 1 2HD ARG 1 -12.916 -8.442 -6.687
10 HD3 ARG 1 1HD ARG 1 -12.643 -8.506 -4.944
11 HE ARG 1 HE ARG 1 -10.429 -7.252 -5.970
12 HH11 ARG 1 1HH1 ARG 1 -13.915 -6.520 -5.971
13 HH12 ARG 1 2HH1 ARG 1 -13.642 -4.836 -6.095
14 HH21 ARG 1 1HH2 ARG 1 -10.147 -4.940 -6.135
15 HH22 ARG 1 2HH2 ARG 1 -11.525 -3.954 -6.193
16 H THR 2 HN THR 2 -8.100 -8.548 -7.866
17 HA THR 2 HA THR 2 -6.475 -9.168 -5.566
18 HB THR 2 HB THR 2 -5.308 -6.993 -6.398
19 HG1 THR 2 1HG THR 2 -6.058 -7.561 -8.949
20 HG21 THR 2 1HG2 THR 2 -3.997 -8.282 -8.044
21 HG22 THR 2 2HG2 THR 2 -5.254 -9.518 -8.071
22 HG23 THR 2 3HG2 THR 2 -4.326 -9.237 -6.598
23 H CYS 3 HN CYS 3 -6.277 -7.651 -3.870
24 HA CYS 3 HA CYS 3 -8.386 -5.656 -3.605
25 HB2 CYS 3 2HB CYS 3 -7.752 -7.941 -1.721
26 HB3 CYS 3 1HB CYS 3 -8.692 -6.519 -1.227
27 H GLN 4 HN GLN 4 -7.847 -4.344 -1.579
28 HA GLN 4 HA GLN 4 -4.986 -4.337 -1.014
29 HB2 GLN 4 2HB GLN 4 -6.642 -1.924 -1.743
30 HB3 GLN 4 1HB GLN 4 -5.033 -1.890 -1.033
31 HG2 GLN 4 2HG GLN 4 -4.107 -2.959 -2.979
32 HG3 GLN 4 1HG GLN 4 -5.715 -3.115 -3.694
33 HE21 GLN 4 1HE2 GLN 4 -3.107 -0.976 -2.944
34 HE22 GLN 4 2HE2 GLN 4 -3.686 0.359 -3.874
35 H SER 5 HN SER 5 -4.429 -3.454 0.929
36 HA SER 5 HA SER 5 -6.575 -2.734 2.751
37 HB2 SER 5 2HB SER 5 -5.284 -4.094 4.505
38 HB3 SER 5 1HB SER 5 -6.197 -5.007 3.300
39 HG SER 5 HG SER 5 -3.408 -4.549 3.423
40 H GLN 6 HN GLN 6 -5.931 -1.175 4.289
41 HA GLN 6 HA GLN 6 -3.861 0.520 3.392
42 HB2 GLN 6 2HB GLN 6 -4.331 1.862 5.432
43 HB3 GLN 6 1HB GLN 6 -5.779 1.485 4.515
44 HG2 GLN 6 2HG GLN 6 -6.316 -0.294 6.114
45 HG3 GLN 6 1HG GLN 6 -4.873 0.113 7.044
46 HE21 GLN 6 1HE2 GLN 6 -8.048 1.081 6.135
47 HE22 GLN 6 2HE2 GLN 6 -8.237 2.316 7.331
48 H SER 7 HN SER 7 -1.798 0.661 3.910
49 HA SER 7 HA SER 7 -0.480 -1.423 5.261
50 HB2 SER 7 2HB SER 7 1.506 0.142 5.053
51 HB3 SER 7 1HB SER 7 0.674 -0.229 3.538
52 HG SER 7 HG SER 7 -0.319 1.700 3.590
53 H HIS 8 HN HIS 8 0.613 -1.398 7.310
54 HA HIS 8 HA HIS 8 -0.697 0.483 9.117
55 HB2 HIS 8 2HB HIS 8 -1.126 -1.945 9.479
56 HB3 HIS 8 1HB HIS 8 0.594 -2.165 9.786
57 HD1 HIS 8 1HD HIS 8 1.472 -1.434 12.142
58 HD2 HIS 8 2HD HIS 8 -2.536 -0.576 11.448
59 HE1 HIS 8 1HE HIS 8 0.515 -0.791 14.363
60 H ARG 9 HN ARG 9 2.397 -1.060 8.411
61 HA ARG 9 HA ARG 9 3.669 0.739 10.341
62 HB2 ARG 9 2HB ARG 9 5.676 -0.620 10.116
63 HB3 ARG 9 1HB ARG 9 4.284 -1.642 10.423
64 HG2 ARG 9 2HG ARG 9 4.194 -2.145 7.992
65 HG3 ARG 9 1HG ARG 9 5.674 -1.198 7.815
66 HD2 ARG 9 2HD ARG 9 6.133 -3.590 7.922
67 HD3 ARG 9 1HD ARG 9 6.861 -2.743 9.299
68 HE ARG 9 HE ARG 9 4.354 -3.619 10.074
69 HH11 ARG 9 1HH1 ARG 9 7.419 -5.129 9.095
70 HH12 ARG 9 2HH1 ARG 9 7.097 -6.572 9.930
71 HH21 ARG 9 1HH2 ARG 9 3.951 -5.558 11.179
72 HH22 ARG 9 2HH2 ARG 9 5.072 -6.839 11.165
73 H PHE 10 HN PHE 10 2.647 1.568 7.638
74 HA PHE 10 HA PHE 10 5.119 2.533 6.374
75 HB2 PHE 10 2HB PHE 10 3.250 1.593 4.957
76 HB3 PHE 10 1HB PHE 10 2.246 2.931 5.493
77 HD1 PHE 10 1HD PHE 10 2.598 5.187 4.604
78 HD2 PHE 10 2HD PHE 10 5.098 1.955 3.450
79 HE1 PHE 10 1HE PHE 10 3.494 6.534 2.791
80 HE2 PHE 10 2HE PHE 10 6.004 3.304 1.635
81 HZ PHE 10 HZ PHE 10 5.201 5.612 1.291
82 H ARG 11 HN ARG 11 5.708 4.658 6.454
83 HA ARG 11 HA ARG 11 3.866 6.462 7.814
84 HB2 ARG 11 2HB ARG 11 5.853 7.616 8.788
85 HB3 ARG 11 1HB ARG 11 5.581 5.996 9.404
86 HG2 ARG 11 2HG ARG 11 7.347 5.156 7.926
87 HG3 ARG 11 1HG ARG 11 7.628 6.798 7.350
88 HD2 ARG 11 2HD ARG 11 8.193 7.515 9.588
89 HD3 ARG 11 1HD ARG 11 7.847 5.902 10.208
90 HE ARG 11 HE ARG 11 9.710 5.425 8.328
91 HH11 ARG 11 1HH1 ARG 11 9.677 7.598 11.131
92 HH12 ARG 11 2HH1 ARG 11 11.363 7.602 11.330
93 HH21 ARG 11 1HH2 ARG 11 11.984 5.389 8.635
94 HH22 ARG 11 2HH2 ARG 11 12.730 6.268 9.885
95 H GLY 12 HN GLY 12 3.389 8.257 6.756
96 HA2 GLY 12 2HA GLY 12 4.007 10.177 5.529
97 HA3 GLY 12 1HA GLY 12 5.263 9.234 4.730
98 HA PRO 13 HA PRO 13 1.623 9.139 1.969
99 HB2 PRO 13 2HB PRO 13 2.521 10.575 -0.062
100 HB3 PRO 13 1HB PRO 13 1.949 11.356 1.414
101 HG2 PRO 13 2HG PRO 13 4.745 10.946 0.469
102 HG3 PRO 13 1HG PRO 13 4.060 12.294 1.390
103 HD2 PRO 13 2HD PRO 13 5.496 10.087 2.438
104 HD3 PRO 13 1HD PRO 13 4.579 11.289 3.365
105 H CYS 14 HN CYS 14 1.351 7.973 0.013
106 HA CYS 14 HA CYS 14 3.286 5.910 -0.379
107 HB2 CYS 14 2HB CYS 14 1.675 4.956 -1.950
108 HB3 CYS 14 1HB CYS 14 0.887 5.441 -0.453
109 H LEU 15 HN LEU 15 3.581 8.893 -1.389
110 HA LEU 15 HA LEU 15 3.804 9.031 -4.159
111 HB2 LEU 15 2HB LEU 15 5.570 10.340 -2.090
112 HB3 LEU 15 1HB LEU 15 5.528 10.784 -3.783
113 HG LEU 15 HG LEU 15 3.223 11.046 -1.855
114 HD11 LEU 15 1HD1 LEU 15 5.057 13.130 -3.026
115 HD12 LEU 15 2HD1 LEU 15 5.002 12.608 -1.342
116 HD13 LEU 15 3HD1 LEU 15 3.624 13.449 -2.050
117 HD21 LEU 15 1HD2 LEU 15 3.520 11.940 -4.723
118 HD22 LEU 15 2HD2 LEU 15 2.177 12.343 -3.658
119 HD23 LEU 15 3HD2 LEU 15 2.448 10.669 -4.132
120 H ARG 16 HN ARG 16 6.125 7.870 -1.798
121 HA ARG 16 HA ARG 16 7.824 6.932 -3.949
122 HB2 ARG 16 2HB ARG 16 8.145 6.608 -0.948
123 HB3 ARG 16 1HB ARG 16 9.323 6.125 -2.153
124 HG2 ARG 16 2HG ARG 16 8.445 8.944 -1.552
125 HG3 ARG 16 1HG ARG 16 9.976 8.203 -1.091
126 HD2 ARG 16 2HD ARG 16 10.560 7.940 -3.457
127 HD3 ARG 16 1HD ARG 16 9.017 8.659 -3.919
128 HE ARG 16 HE ARG 16 10.684 10.246 -2.192
129 HH11 ARG 16 1HH1 ARG 16 9.816 9.555 -5.571
130 HH12 ARG 16 2HH1 ARG 16 10.307 11.072 -6.144
131 HH21 ARG 16 1HH2 ARG 16 11.351 12.338 -3.005
132 HH22 ARG 16 2HH2 ARG 16 11.199 12.666 -4.673
133 H ARG 17 HN ARG 17 6.661 5.463 -4.919
134 HA ARG 17 HA ARG 17 4.974 3.632 -3.557
135 HB2 ARG 17 2HB ARG 17 5.838 3.658 -6.453
136 HB3 ARG 17 1HB ARG 17 4.552 2.655 -5.787
137 HG2 ARG 17 2HG ARG 17 3.308 4.652 -5.144
138 HG3 ARG 17 1HG ARG 17 4.597 5.666 -5.781
139 HD2 ARG 17 2HD ARG 17 4.198 4.731 -8.008
140 HD3 ARG 17 1HD ARG 17 2.877 3.759 -7.355
141 HE ARG 17 HE ARG 17 2.521 6.467 -6.710
142 HH11 ARG 17 1HH1 ARG 17 2.325 4.334 -9.522
143 HH12 ARG 17 2HH1 ARG 17 1.097 5.240 -10.298
144 HH21 ARG 17 1HH2 ARG 17 0.812 7.702 -7.796
145 HH22 ARG 17 2HH2 ARG 17 0.226 7.150 -9.296
146 H SER 18 HN SER 18 8.249 3.580 -4.533
147 HA SER 18 HA SER 18 8.685 0.816 -4.435
148 HB2 SER 18 2HB SER 18 11.076 1.666 -3.921
149 HB3 SER 18 1HB SER 18 10.349 2.104 -5.469
150 HG SER 18 HG SER 18 11.350 3.830 -4.348
151 H ASN 19 HN ASN 19 8.814 3.389 -2.039
152 HA ASN 19 HA ASN 19 9.541 1.858 0.230
153 HB2 ASN 19 2HB ASN 19 7.829 4.356 0.054
154 HB3 ASN 19 1HB ASN 19 8.376 3.647 1.559
155 HD21 ASN 19 1HD2 ASN 19 9.375 5.544 2.094
156 HD22 ASN 19 2HD2 ASN 19 10.856 6.051 1.384
157 H CYS 20 HN CYS 20 6.472 2.850 -1.109
158 HA CYS 20 HA CYS 20 4.715 1.741 0.724
159 HB2 CYS 20 2HB CYS 20 4.149 3.339 -1.108
160 HB3 CYS 20 1HB CYS 20 4.336 2.031 -2.263
161 H ALA 21 HN ALA 21 5.922 0.274 -2.310
162 HA ALA 21 HA ALA 21 4.673 -2.205 -1.903
163 HB1 ALA 21 1HB ALA 21 6.102 -3.010 -3.702
164 HB2 ALA 21 2HB ALA 21 7.108 -1.564 -3.561
165 HB3 ALA 21 3HB ALA 21 5.436 -1.425 -4.095
166 H ASN 22 HN ASN 22 7.833 -0.983 -0.971
167 HA ASN 22 HA ASN 22 8.972 -3.432 -0.125
168 HB2 ASN 22 2HB ASN 22 10.290 -1.358 -0.468
169 HB3 ASN 22 1HB ASN 22 9.513 -0.649 0.940
170 HD21 ASN 22 1HD2 ASN 22 11.389 -0.375 2.091
171 HD22 ASN 22 2HD2 ASN 22 12.320 -1.677 2.705
172 H VAL 23 HN VAL 23 7.297 -0.886 1.695
173 HA VAL 23 HA VAL 23 7.392 -2.158 4.186
174 HB VAL 23 HB VAL 23 5.489 -0.055 3.121
175 HG11 VAL 23 1HG1 VAL 23 4.404 -1.208 4.967
176 HG12 VAL 23 2HG1 VAL 23 4.957 0.384 5.517
177 HG13 VAL 23 3HG1 VAL 23 5.877 -1.069 5.917
178 HG21 VAL 23 1HG2 VAL 23 7.807 0.655 3.253
179 HG22 VAL 23 2HG2 VAL 23 7.901 0.108 4.925
180 HG23 VAL 23 3HG2 VAL 23 6.861 1.463 4.502
181 H CYS 24 HN CYS 24 4.831 -2.120 1.731
182 HA CYS 24 HA CYS 24 3.122 -3.811 3.134
183 HB2 CYS 24 2HB CYS 24 3.415 -3.239 0.202
184 HB3 CYS 24 1HB CYS 24 2.149 -4.289 0.826
185 H ARG 25 HN ARG 25 5.854 -4.516 1.053
186 HA ARG 25 HA ARG 25 5.371 -7.285 0.953
187 HB2 ARG 25 2HB ARG 25 6.842 -6.110 -0.641
188 HB3 ARG 25 1HB ARG 25 7.981 -5.796 0.656
189 HG2 ARG 25 2HG ARG 25 8.561 -8.084 0.820
190 HG3 ARG 25 1HG ARG 25 7.200 -8.570 -0.195
191 HD2 ARG 25 2HD ARG 25 9.524 -6.869 -1.091
192 HD3 ARG 25 1HD ARG 25 9.324 -8.586 -1.446
193 HE ARG 25 HE ARG 25 7.018 -7.504 -2.331
194 HH11 ARG 25 1HH1 ARG 25 10.406 -6.805 -3.087
195 HH12 ARG 25 2HH1 ARG 25 10.075 -6.190 -4.636
196 HH21 ARG 25 1HH2 ARG 25 6.568 -6.662 -4.391
197 HH22 ARG 25 2HH2 ARG 25 7.812 -6.096 -5.410
198 H THR 26 HN THR 26 7.229 -5.249 3.182
199 HA THR 26 HA THR 26 8.101 -7.431 4.729
200 HB THR 26 HB THR 26 8.566 -5.770 6.563
201 HG1 THR 26 1HG THR 26 6.889 -4.208 5.097
202 HG21 THR 26 1HG2 THR 26 9.563 -5.014 3.815
203 HG22 THR 26 2HG2 THR 26 10.254 -6.248 4.867
204 HG23 THR 26 3HG2 THR 26 10.318 -4.550 5.340
205 H GLU 27 HN GLU 27 5.047 -5.724 4.700
206 HA GLU 27 HA GLU 27 4.220 -7.075 7.100
207 HB2 GLU 27 2HB GLU 27 2.752 -5.216 5.251
208 HB3 GLU 27 1HB GLU 27 1.879 -6.121 6.489
209 HG2 GLU 27 2HG GLU 27 3.575 -5.098 8.116
210 HG3 GLU 27 1HG GLU 27 3.973 -4.007 6.796
211 H GLY 28 HN GLY 28 4.758 -8.306 4.211
212 HA2 GLY 28 2HA GLY 28 4.382 -10.610 3.820
213 HA3 GLY 28 1HA GLY 28 2.959 -10.526 4.841
214 H PHE 29 HN PHE 29 3.443 -8.155 2.367
215 HA PHE 29 HA PHE 29 1.363 -9.461 0.773
216 HB2 PHE 29 2HB PHE 29 2.007 -6.523 1.116
217 HB3 PHE 29 1HB PHE 29 0.817 -7.143 -0.023
218 HD1 PHE 29 1HD PHE 29 -1.085 -8.483 0.891
219 HD2 PHE 29 2HD PHE 29 1.424 -6.096 3.334
220 HE1 PHE 29 1HE PHE 29 -2.792 -8.496 2.619
221 HE2 PHE 29 2HE PHE 29 -0.288 -6.082 5.099
222 HZ PHE 29 HZ PHE 29 -2.407 -7.283 4.756
223 HA PRO 30 HA PRO 30 4.242 -9.577 -2.609
224 HB2 PRO 30 2HB PRO 30 2.655 -8.770 -4.732
225 HB3 PRO 30 1HB PRO 30 2.690 -10.410 -4.081
226 HG2 PRO 30 2HG PRO 30 0.741 -8.206 -3.567
227 HG3 PRO 30 1HG PRO 30 0.439 -9.940 -3.766
228 HD2 PRO 30 2HD PRO 30 0.445 -8.774 -1.338
229 HD3 PRO 30 1HD PRO 30 1.041 -10.421 -1.587
230 H GLY 31 HN GLY 31 2.121 -6.705 -2.671
231 HA2 GLY 31 2HA GLY 31 4.402 -4.975 -2.789
232 HA3 GLY 31 1HA GLY 31 3.428 -4.994 -4.257
233 H GLY 32 HN GLY 32 3.377 -2.654 -3.376
234 HA2 GLY 32 2HA GLY 32 0.816 -2.300 -2.139
235 HA3 GLY 32 1HA GLY 32 2.197 -1.637 -1.251
236 H ARG 33 HN ARG 33 -0.041 -0.336 -2.675
237 HA ARG 33 HA ARG 33 1.559 1.473 -4.286
238 HB2 ARG 33 2HB ARG 33 -0.049 1.379 -6.150
239 HB3 ARG 33 1HB ARG 33 0.786 -0.148 -5.918
240 HG2 ARG 33 2HG ARG 33 -1.117 -1.129 -4.900
241 HG3 ARG 33 1HG ARG 33 -1.940 0.426 -4.809
242 HD2 ARG 33 2HD ARG 33 -1.152 -0.969 -7.348
243 HD3 ARG 33 1HD ARG 33 -2.765 -1.011 -6.634
244 HE ARG 33 HE ARG 33 -1.956 1.657 -6.965
245 HH11 ARG 33 1HH1 ARG 33 -2.985 -1.133 -8.829
246 HH12 ARG 33 2HH1 ARG 33 -3.565 -0.257 -10.163
247 HH21 ARG 33 1HH2 ARG 33 -2.759 2.942 -8.811
248 HH22 ARG 33 2HH2 ARG 33 -3.434 2.134 -10.142
249 H CYS 34 HN CYS 34 -0.148 3.214 -5.149
250 HA CYS 34 HA CYS 34 -1.443 4.243 -2.802
251 HB2 CYS 34 2HB CYS 34 -1.300 5.274 -5.644
252 HB3 CYS 34 1HB CYS 34 -1.988 6.154 -4.283
253 H ARG 35 HN ARG 35 -3.686 4.618 -2.624
254 HA ARG 35 HA ARG 35 -5.284 3.131 -4.578
255 HB2 ARG 35 2HB ARG 35 -5.398 2.063 -2.392
256 HB3 ARG 35 1HB ARG 35 -5.842 3.578 -1.640
257 HG2 ARG 35 2HG ARG 35 -7.754 2.093 -1.824
258 HG3 ARG 35 1HG ARG 35 -7.997 3.536 -2.797
259 HD2 ARG 35 2HD ARG 35 -6.981 0.940 -3.953
260 HD3 ARG 35 1HD ARG 35 -8.698 1.309 -3.831
261 HE ARG 35 HE ARG 35 -7.982 3.400 -5.171
262 HH11 ARG 35 1HH1 ARG 35 -6.541 0.185 -5.657
263 HH12 ARG 35 2HH1 ARG 35 -6.388 0.364 -7.327
264 HH21 ARG 35 1HH2 ARG 35 -7.683 3.677 -7.419
265 HH22 ARG 35 2HH2 ARG 35 -6.996 2.427 -8.373
266 H GLY 36 HN GLY 36 -6.110 5.542 -2.095
267 HA2 GLY 36 2HA GLY 36 -7.703 6.869 -4.082
268 HA3 GLY 36 1HA GLY 36 -7.665 7.237 -2.368
269 H PHE 37 HN PHE 37 -7.666 9.393 -3.612
270 HA PHE 37 HA PHE 37 -5.134 10.188 -4.714
271 HB2 PHE 37 2HB PHE 37 -7.279 11.009 -5.655
272 HB3 PHE 37 1HB PHE 37 -7.614 11.841 -4.147
273 HD1 PHE 37 1HD PHE 37 -6.982 14.075 -3.918
274 HD2 PHE 37 2HD PHE 37 -5.090 11.680 -6.883
275 HE1 PHE 37 1HE PHE 37 -5.810 16.057 -4.769
276 HE2 PHE 37 2HE PHE 37 -3.917 13.666 -7.741
277 HZ PHE 37 HZ PHE 37 -4.276 15.857 -6.679
278 H ARG 38 HN ARG 38 -6.124 9.782 -1.580
279 HA ARG 38 HA ARG 38 -4.741 12.147 -0.680
280 HB2 ARG 38 2HB ARG 38 -6.293 10.130 0.945
281 HB3 ARG 38 1HB ARG 38 -5.506 11.561 1.605
282 HG2 ARG 38 2HG ARG 38 -6.875 12.920 -0.016
283 HG3 ARG 38 1HG ARG 38 -7.794 11.460 -0.341
284 HD2 ARG 38 2HD ARG 38 -7.485 12.805 2.341
285 HD3 ARG 38 1HD ARG 38 -8.879 12.916 1.278
286 HE ARG 38 HE ARG 38 -8.421 10.227 1.843
287 HH11 ARG 38 1HH1 ARG 38 -9.529 13.203 3.411
288 HH12 ARG 38 2HH1 ARG 38 -10.362 12.416 4.673
289 HH21 ARG 38 1HH2 ARG 38 -9.614 9.133 3.590
290 HH22 ARG 38 2HH2 ARG 38 -10.431 10.043 4.765
291 H ARG 39 HN ARG 39 -3.643 9.550 -1.785
292 HA ARG 39 HA ARG 39 -1.638 8.545 -1.842
293 HB2 ARG 39 2HB ARG 39 -0.706 10.924 -0.235
294 HB3 ARG 39 1HB ARG 39 0.363 9.722 -0.917
295 HG2 ARG 39 2HG ARG 39 0.491 11.469 -2.426
296 HG3 ARG 39 1HG ARG 39 -0.697 10.409 -3.182
297 HD2 ARG 39 2HD ARG 39 -1.405 12.745 -3.262
298 HD3 ARG 39 1HD ARG 39 -2.499 11.789 -2.254
299 HE ARG 39 HE ARG 39 -0.317 13.110 -0.923
300 HH11 ARG 39 1HH1 ARG 39 -3.732 13.331 -1.822
301 HH12 ARG 39 2HH1 ARG 39 -4.135 14.369 -0.521
302 HH21 ARG 39 1HH2 ARG 39 -0.876 14.548 0.823
303 HH22 ARG 39 2HH2 ARG 39 -2.480 15.075 0.998
304 H ARG 40 HN ARG 40 -3.253 7.433 0.162
305 HA ARG 40 HA ARG 40 -1.223 6.823 2.153
306 HB2 ARG 40 2HB ARG 40 -3.479 7.266 3.055
307 HB3 ARG 40 1HB ARG 40 -4.137 5.967 2.082
308 HG2 ARG 40 2HG ARG 40 -3.094 4.315 3.381
309 HG3 ARG 40 1HG ARG 40 -1.976 5.483 4.080
310 HD2 ARG 40 2HD ARG 40 -3.649 4.789 5.698
311 HD3 ARG 40 1HD ARG 40 -3.780 6.503 5.336
312 HE ARG 40 HE ARG 40 -5.615 5.413 3.699
313 HH11 ARG 40 1HH1 ARG 40 -4.994 5.119 7.168
314 HH12 ARG 40 2HH1 ARG 40 -6.598 4.787 7.589
315 HH21 ARG 40 1HH2 ARG 40 -7.834 5.019 4.263
316 HH22 ARG 40 2HH2 ARG 40 -8.287 4.729 5.884
317 H CYS 41 HN CYS 41 -0.333 4.805 2.387
318 HA CYS 41 HA CYS 41 -0.098 3.414 -0.097
319 HB2 CYS 41 2HB CYS 41 1.870 3.834 1.310
320 HB3 CYS 41 1HB CYS 41 1.151 2.902 2.612
321 H PHE 42 HN PHE 42 -1.200 1.721 -0.710
322 HA PHE 42 HA PHE 42 -2.611 0.162 1.299
323 HB2 PHE 42 2HB PHE 42 -3.524 1.252 -1.311
324 HB3 PHE 42 1HB PHE 42 -4.191 -0.268 -0.755
325 HD1 PHE 42 1HD PHE 42 -5.958 -0.296 0.718
326 HD2 PHE 42 2HD PHE 42 -3.710 3.279 0.270
327 HE1 PHE 42 1HE PHE 42 -7.598 0.902 2.105
328 HE2 PHE 42 2HE PHE 42 -5.349 4.485 1.651
329 HZ PHE 42 HZ PHE 42 -7.287 3.297 2.574
330 H CYS 43 HN CYS 43 -2.120 -1.802 1.353
331 HA CYS 43 HA CYS 43 -0.102 -2.878 -0.378
332 HB2 CYS 43 2HB CYS 43 -1.565 -4.090 1.958
333 HB3 CYS 43 1HB CYS 43 -0.073 -4.685 1.233
334 H THR 44 HN THR 44 -0.465 -4.253 -1.997
335 HA THR 44 HA THR 44 -3.165 -4.901 -2.695
336 HB THR 44 HB THR 44 -0.568 -5.630 -4.077
337 HG1 THR 44 1HG THR 44 -0.789 -3.684 -5.156
338 HG21 THR 44 1HG2 THR 44 -1.989 -5.756 -6.087
339 HG22 THR 44 2HG2 THR 44 -3.405 -5.355 -5.116
340 HG23 THR 44 3HG2 THR 44 -2.560 -6.880 -4.852
341 H THR 45 HN THR 45 -4.092 -6.782 -2.326
342 HA THR 45 HA THR 45 -2.485 -9.110 -1.714
343 HB THR 45 HB THR 45 -3.216 -8.055 0.447
344 HG1 THR 45 1HG THR 45 -4.425 -10.104 1.128
345 HG21 THR 45 1HG2 THR 45 -5.363 -7.105 -0.297
346 HG22 THR 45 2HG2 THR 45 -5.590 -8.161 1.096
347 HG23 THR 45 3HG2 THR 45 -6.004 -8.733 -0.520
348 H HIS 46 HN HIS 46 -4.270 -11.029 -1.565
349 HA HIS 46 HA HIS 46 -5.726 -10.758 -4.117
350 HB2 HIS 46 2HB HIS 46 -3.761 -12.301 -4.057
351 HB3 HIS 46 1HB HIS 46 -4.601 -13.259 -2.850
352 HD1 HIS 46 1HD HIS 46 -4.222 -12.800 -6.459
353 HD2 HIS 46 2HD HIS 46 -6.903 -14.631 -3.885
354 HE1 HIS 46 1HE HIS 46 -5.534 -14.412 -7.863
355 H CYS 47 HN CYS 47 -7.878 -11.289 -4.200
356 HA CYS 47 HA CYS 47 -9.018 -12.527 -1.849
357 HB2 CYS 47 2HB CYS 47 -10.325 -10.474 -3.625
358 HB3 CYS 47 1HB CYS 47 -11.143 -11.355 -2.346
Start of MODEL 3
1 H1 ARG 1 1HT ARG 1 -10.048 -12.108 -7.307
2 H2 ARG 1 2HT ARG 1 -9.395 -11.880 -5.777
3 H3 ARG 1 3HT ARG 1 -8.383 -11.918 -7.126
4 HA ARG 1 HA ARG 1 -9.400 -9.882 -7.973
5 HB2 ARG 1 2HB ARG 1 -10.691 -9.878 -5.233
6 HB3 ARG 1 1HB ARG 1 -10.742 -8.561 -6.387
7 HG2 ARG 1 2HG ARG 1 -11.959 -11.279 -6.800
8 HG3 ARG 1 1HG ARG 1 -12.831 -9.842 -6.271
9 HD2 ARG 1 2HD ARG 1 -12.195 -8.727 -8.387
10 HD3 ARG 1 1HD ARG 1 -11.410 -10.223 -8.902
11 HE ARG 1 HE ARG 1 -13.882 -11.023 -8.259
12 HH11 ARG 1 1HH1 ARG 1 -12.677 -8.540 -10.484
13 HH12 ARG 1 2HH1 ARG 1 -14.062 -8.598 -11.481
14 HH21 ARG 1 1HH2 ARG 1 -15.743 -11.070 -9.633
15 HH22 ARG 1 2HH2 ARG 1 -15.818 -10.049 -11.001
16 H THR 2 HN THR 2 -7.976 -8.192 -7.669
17 HA THR 2 HA THR 2 -6.129 -8.531 -5.492
18 HB THR 2 HB THR 2 -4.970 -6.520 -6.521
19 HG1 THR 2 1HG THR 2 -7.228 -6.364 -7.874
20 HG21 THR 2 1HG2 THR 2 -4.227 -8.801 -6.984
21 HG22 THR 2 2HG2 THR 2 -4.059 -7.792 -8.422
22 HG23 THR 2 3HG2 THR 2 -5.401 -8.929 -8.294
23 H CYS 3 HN CYS 3 -6.467 -7.697 -3.639
24 HA CYS 3 HA CYS 3 -8.292 -5.458 -3.337
25 HB2 CYS 3 2HB CYS 3 -7.495 -7.753 -1.532
26 HB3 CYS 3 1HB CYS 3 -8.438 -6.368 -0.961
27 H GLN 4 HN GLN 4 -7.589 -3.752 -2.153
28 HA GLN 4 HA GLN 4 -4.711 -3.753 -1.537
29 HB2 GLN 4 2HB GLN 4 -6.400 -1.338 -2.302
30 HB3 GLN 4 1HB GLN 4 -4.679 -1.357 -1.994
31 HG2 GLN 4 2HG GLN 4 -4.904 -1.153 -4.266
32 HG3 GLN 4 1HG GLN 4 -4.420 -2.827 -3.996
33 HE21 GLN 4 1HE2 GLN 4 -5.284 -3.498 -6.024
34 HE22 GLN 4 2HE2 GLN 4 -6.988 -3.593 -6.258
35 H SER 5 HN SER 5 -4.291 -3.711 0.485
36 HA SER 5 HA SER 5 -6.294 -2.712 2.365
37 HB2 SER 5 2HB SER 5 -4.018 -4.665 2.760
38 HB3 SER 5 1HB SER 5 -5.214 -4.200 3.969
39 HG SER 5 HG SER 5 -6.076 -5.945 3.201
40 H GLN 6 HN GLN 6 -5.817 -0.846 3.278
41 HA GLN 6 HA GLN 6 -3.565 0.699 2.804
42 HB2 GLN 6 2HB GLN 6 -5.675 1.641 3.430
43 HB3 GLN 6 1HB GLN 6 -5.610 0.851 4.998
44 HG2 GLN 6 2HG GLN 6 -3.816 2.284 5.694
45 HG3 GLN 6 1HG GLN 6 -3.694 2.975 4.079
46 HE21 GLN 6 1HE2 GLN 6 -6.807 2.263 5.455
47 HE22 GLN 6 2HE2 GLN 6 -7.296 3.889 5.696
48 H SER 7 HN SER 7 -1.579 0.772 3.602
49 HA SER 7 HA SER 7 -0.891 -1.049 5.682
50 HB2 SER 7 2HB SER 7 1.472 -0.163 5.145
51 HB3 SER 7 1HB SER 7 0.636 -1.093 3.903
52 HG SER 7 HG SER 7 1.151 0.562 2.763
53 H HIS 8 HN HIS 8 -0.767 -0.596 7.709
54 HA HIS 8 HA HIS 8 -1.293 2.064 8.615
55 HB2 HIS 8 2HB HIS 8 -2.357 0.091 9.653
56 HB3 HIS 8 1HB HIS 8 -0.773 -0.460 10.186
57 HD1 HIS 8 1HD HIS 8 -0.342 0.097 12.591
58 HD2 HIS 8 2HD HIS 8 -2.836 2.864 10.747
59 HE1 HIS 8 1HE HIS 8 -0.980 1.729 14.368
60 H ARG 9 HN ARG 9 1.435 -0.175 8.724
61 HA ARG 9 HA ARG 9 2.987 1.610 10.398
62 HB2 ARG 9 2HB ARG 9 4.767 -0.022 10.283
63 HB3 ARG 9 1HB ARG 9 3.250 -0.845 10.599
64 HG2 ARG 9 2HG ARG 9 3.137 -1.597 8.310
65 HG3 ARG 9 1HG ARG 9 4.553 -0.633 7.903
66 HD2 ARG 9 2HD ARG 9 4.517 -2.920 9.862
67 HD3 ARG 9 1HD ARG 9 5.046 -3.044 8.193
68 HE ARG 9 HE ARG 9 6.432 -1.008 9.681
69 HH11 ARG 9 1HH1 ARG 9 6.431 -4.496 8.897
70 HH12 ARG 9 2HH1 ARG 9 8.072 -4.710 9.270
71 HH21 ARG 9 1HH2 ARG 9 8.729 -1.335 10.158
72 HH22 ARG 9 2HH2 ARG 9 9.398 -2.884 9.996
73 H PHE 10 HN PHE 10 2.133 2.174 7.484
74 HA PHE 10 HA PHE 10 4.673 2.615 6.178
75 HB2 PHE 10 2HB PHE 10 2.745 1.845 4.869
76 HB3 PHE 10 1HB PHE 10 1.836 3.269 5.349
77 HD1 PHE 10 1HD PHE 10 4.918 2.231 3.576
78 HD2 PHE 10 2HD PHE 10 1.878 5.156 4.026
79 HE1 PHE 10 1HE PHE 10 5.785 3.421 1.637
80 HE2 PHE 10 2HE PHE 10 2.742 6.358 2.075
81 HZ PHE 10 HZ PHE 10 4.701 5.495 0.872
82 H ARG 11 HN ARG 11 5.295 4.795 5.443
83 HA ARG 11 HA ARG 11 4.300 6.876 7.244
84 HB2 ARG 11 2HB ARG 11 6.511 7.742 7.432
85 HB3 ARG 11 1HB ARG 11 6.503 6.051 7.899
86 HG2 ARG 11 2HG ARG 11 7.337 5.530 5.590
87 HG3 ARG 11 1HG ARG 11 7.570 7.268 5.375
88 HD2 ARG 11 2HD ARG 11 9.637 6.491 6.141
89 HD3 ARG 11 1HD ARG 11 8.769 7.198 7.528
90 HE ARG 11 HE ARG 11 8.221 4.464 7.343
91 HH11 ARG 11 1HH1 ARG 11 10.696 6.703 8.466
92 HH12 ARG 11 2HH1 ARG 11 11.454 5.577 9.501
93 HH21 ARG 11 1HH2 ARG 11 9.229 2.926 8.753
94 HH22 ARG 11 2HH2 ARG 11 10.592 3.350 9.673
95 H GLY 12 HN GLY 12 3.609 8.670 6.289
96 HA2 GLY 12 2HA GLY 12 3.460 10.400 4.822
97 HA3 GLY 12 1HA GLY 12 4.836 9.736 3.963
98 HA PRO 13 HA PRO 13 1.249 9.114 1.192
99 HB2 PRO 13 2HB PRO 13 2.274 10.232 -0.974
100 HB3 PRO 13 1HB PRO 13 1.611 11.232 0.325
101 HG2 PRO 13 2HG PRO 13 4.464 10.574 -0.293
102 HG3 PRO 13 1HG PRO 13 3.760 12.133 0.171
103 HD2 PRO 13 2HD PRO 13 5.042 10.461 1.920
104 HD3 PRO 13 1HD PRO 13 3.787 11.617 2.399
105 H CYS 14 HN CYS 14 1.074 7.812 -0.682
106 HA CYS 14 HA CYS 14 2.903 5.618 -0.758
107 HB2 CYS 14 2HB CYS 14 1.392 4.713 -2.517
108 HB3 CYS 14 1HB CYS 14 0.569 5.167 -1.029
109 H LEU 15 HN LEU 15 3.188 8.553 -2.123
110 HA LEU 15 HA LEU 15 4.066 8.004 -4.729
111 HB2 LEU 15 2HB LEU 15 4.632 10.285 -2.853
112 HB3 LEU 15 1HB LEU 15 5.436 10.180 -4.399
113 HG LEU 15 HG LEU 15 3.197 10.255 -5.518
114 HD11 LEU 15 1HD1 LEU 15 1.242 10.932 -4.312
115 HD12 LEU 15 2HD1 LEU 15 2.138 10.954 -2.805
116 HD13 LEU 15 3HD1 LEU 15 1.848 9.417 -3.632
117 HD21 LEU 15 1HD2 LEU 15 3.854 12.552 -3.698
118 HD22 LEU 15 2HD2 LEU 15 2.798 12.635 -5.107
119 HD23 LEU 15 3HD2 LEU 15 4.510 12.266 -5.308
120 H ARG 16 HN ARG 16 5.634 7.764 -1.641
121 HA ARG 16 HA ARG 16 8.176 7.095 -2.840
122 HB2 ARG 16 2HB ARG 16 8.046 8.227 -0.611
123 HB3 ARG 16 1HB ARG 16 7.216 6.812 0.013
124 HG2 ARG 16 2HG ARG 16 9.212 5.466 -0.343
125 HG3 ARG 16 1HG ARG 16 10.048 6.878 -1.000
126 HD2 ARG 16 2HD ARG 16 9.900 8.032 1.083
127 HD3 ARG 16 1HD ARG 16 8.838 6.798 1.755
128 HE ARG 16 HE ARG 16 11.270 5.637 0.976
129 HH11 ARG 16 1HH1 ARG 16 10.091 7.928 3.386
130 HH12 ARG 16 2HH1 ARG 16 11.152 7.423 4.609
131 HH21 ARG 16 1HH2 ARG 16 12.703 4.899 2.704
132 HH22 ARG 16 2HH2 ARG 16 12.645 5.659 4.233
133 H ARG 17 HN ARG 17 7.400 5.588 -4.167
134 HA ARG 17 HA ARG 17 5.751 3.421 -3.540
135 HB2 ARG 17 2HB ARG 17 7.593 3.908 -5.858
136 HB3 ARG 17 1HB ARG 17 6.413 2.601 -5.789
137 HG2 ARG 17 2HG ARG 17 4.594 4.081 -5.832
138 HG3 ARG 17 1HG ARG 17 5.602 5.462 -5.397
139 HD2 ARG 17 2HD ARG 17 5.766 3.929 -7.979
140 HD3 ARG 17 1HD ARG 17 4.948 5.483 -7.769
141 HE ARG 17 HE ARG 17 7.404 5.978 -6.834
142 HH11 ARG 17 1HH1 ARG 17 6.294 4.672 -9.940
143 HH12 ARG 17 2HH1 ARG 17 7.695 5.158 -10.781
144 HH21 ARG 17 1HH2 ARG 17 9.264 6.649 -7.977
145 HH22 ARG 17 2HH2 ARG 17 9.418 6.325 -9.650
146 H SER 18 HN SER 18 9.232 3.729 -3.479
147 HA SER 18 HA SER 18 9.771 0.960 -3.387
148 HB2 SER 18 2HB SER 18 11.488 2.654 -3.951
149 HB3 SER 18 1HB SER 18 11.419 3.261 -2.299
150 HG SER 18 HG SER 18 11.856 0.665 -2.108
151 H ASN 19 HN ASN 19 9.103 3.393 -0.925
152 HA ASN 19 HA ASN 19 9.620 1.642 1.282
153 HB2 ASN 19 2HB ASN 19 9.707 4.105 1.508
154 HB3 ASN 19 1HB ASN 19 7.985 4.186 1.184
155 HD21 ASN 19 1HD2 ASN 19 9.545 1.756 3.286
156 HD22 ASN 19 2HD2 ASN 19 8.806 2.342 4.716
157 H CYS 20 HN CYS 20 6.780 2.672 -0.506
158 HA CYS 20 HA CYS 20 4.789 1.391 0.978
159 HB2 CYS 20 2HB CYS 20 4.324 3.059 -0.773
160 HB3 CYS 20 1HB CYS 20 4.935 1.965 -1.998
161 H ALA 21 HN ALA 21 6.587 0.215 -1.880
162 HA ALA 21 HA ALA 21 5.435 -2.346 -1.848
163 HB1 ALA 21 1HB ALA 21 7.162 -2.919 -3.457
164 HB2 ALA 21 2HB ALA 21 8.061 -1.461 -3.036
165 HB3 ALA 21 3HB ALA 21 6.492 -1.331 -3.824
166 H ASN 22 HN ASN 22 8.272 -0.995 -0.250
167 HA ASN 22 HA ASN 22 9.438 -3.434 0.604
168 HB2 ASN 22 2HB ASN 22 10.612 -1.250 0.649
169 HB3 ASN 22 1HB ASN 22 9.557 -0.729 1.951
170 HD21 ASN 22 1HD2 ASN 22 11.198 -0.440 3.404
171 HD22 ASN 22 2HD2 ASN 22 12.060 -1.742 4.120
172 H VAL 23 HN VAL 23 7.294 -1.141 2.264
173 HA VAL 23 HA VAL 23 7.008 -2.522 4.671
174 HB VAL 23 HB VAL 23 5.153 -0.562 3.272
175 HG11 VAL 23 1HG1 VAL 23 3.972 -0.316 5.416
176 HG12 VAL 23 2HG1 VAL 23 4.910 -1.658 6.079
177 HG13 VAL 23 3HG1 VAL 23 3.783 -1.938 4.753
178 HG21 VAL 23 1HG2 VAL 23 7.277 0.357 4.005
179 HG22 VAL 23 2HG2 VAL 23 7.014 -0.284 5.626
180 HG23 VAL 23 3HG2 VAL 23 5.964 0.985 5.003
181 H CYS 24 HN CYS 24 4.956 -2.530 1.801
182 HA CYS 24 HA CYS 24 3.167 -4.432 2.735
183 HB2 CYS 24 2HB CYS 24 3.959 -3.656 -0.059
184 HB3 CYS 24 1HB CYS 24 2.589 -4.701 0.291
185 H ARG 25 HN ARG 25 6.219 -4.822 1.013
186 HA ARG 25 HA ARG 25 5.994 -7.573 0.516
187 HB2 ARG 25 2HB ARG 25 7.615 -6.139 -0.598
188 HB3 ARG 25 1HB ARG 25 8.456 -5.888 0.919
189 HG2 ARG 25 2HG ARG 25 9.047 -8.263 0.981
190 HG3 ARG 25 1HG ARG 25 8.209 -8.511 -0.546
191 HD2 ARG 25 2HD ARG 25 10.613 -8.239 -0.884
192 HD3 ARG 25 1HD ARG 25 9.696 -6.953 -1.655
193 HE ARG 25 HE ARG 25 10.485 -6.257 0.975
194 HH11 ARG 25 1HH1 ARG 25 11.683 -6.511 -2.311
195 HH12 ARG 25 2HH1 ARG 25 12.905 -5.349 -2.154
196 HH21 ARG 25 1HH2 ARG 25 12.135 -4.568 1.243
197 HH22 ARG 25 2HH2 ARG 25 13.176 -4.224 -0.061
198 H THR 26 HN THR 26 7.470 -5.820 3.264
199 HA THR 26 HA THR 26 8.231 -8.266 4.480
200 HB THR 26 HB THR 26 9.537 -6.276 5.045
201 HG1 THR 26 1HG THR 26 8.144 -7.564 7.133
202 HG21 THR 26 1HG2 THR 26 8.634 -4.518 6.521
203 HG22 THR 26 2HG2 THR 26 7.048 -5.284 6.452
204 HG23 THR 26 3HG2 THR 26 7.753 -4.587 4.993
205 H GLU 27 HN GLU 27 5.309 -6.369 4.601
206 HA GLU 27 HA GLU 27 4.357 -7.844 6.859
207 HB2 GLU 27 2HB GLU 27 2.859 -6.017 4.964
208 HB3 GLU 27 1HB GLU 27 2.173 -6.726 6.422
209 HG2 GLU 27 2HG GLU 27 4.438 -4.753 6.258
210 HG3 GLU 27 1HG GLU 27 2.803 -4.443 6.829
211 H GLY 28 HN GLY 28 4.792 -8.672 3.701
212 HA2 GLY 28 2HA GLY 28 4.503 -10.938 3.050
213 HA3 GLY 28 1HA GLY 28 3.105 -11.036 4.106
214 H PHE 29 HN PHE 29 3.547 -8.386 1.868
215 HA PHE 29 HA PHE 29 1.399 -9.522 0.251
216 HB2 PHE 29 2HB PHE 29 1.922 -6.623 0.925
217 HB3 PHE 29 1HB PHE 29 0.657 -7.195 -0.164
218 HD1 PHE 29 1HD PHE 29 -0.945 -8.932 0.810
219 HD2 PHE 29 2HD PHE 29 1.442 -6.341 3.164
220 HE1 PHE 29 1HE PHE 29 -2.445 -9.290 2.677
221 HE2 PHE 29 2HE PHE 29 -0.056 -6.680 5.076
222 HZ PHE 29 HZ PHE 29 -2.010 -8.162 4.854
223 HA PRO 30 HA PRO 30 4.160 -9.586 -3.148
224 HB2 PRO 30 2HB PRO 30 2.342 -9.099 -5.169
225 HB3 PRO 30 1HB PRO 30 2.630 -10.674 -4.423
226 HG2 PRO 30 2HG PRO 30 0.486 -8.669 -3.853
227 HG3 PRO 30 1HG PRO 30 0.371 -10.434 -3.963
228 HD2 PRO 30 2HD PRO 30 0.412 -9.213 -1.588
229 HD3 PRO 30 1HD PRO 30 1.265 -10.745 -1.833
230 H GLY 31 HN GLY 31 2.085 -6.769 -2.757
231 HA2 GLY 31 2HA GLY 31 4.197 -5.027 -3.438
232 HA3 GLY 31 1HA GLY 31 3.043 -5.141 -4.762
233 H GLY 32 HN GLY 32 3.095 -2.765 -3.980
234 HA2 GLY 32 2HA GLY 32 0.683 -2.419 -2.404
235 HA3 GLY 32 1HA GLY 32 2.140 -1.575 -1.872
236 H ARG 33 HN ARG 33 -0.414 -0.556 -2.919
237 HA ARG 33 HA ARG 33 0.703 1.208 -4.921
238 HB2 ARG 33 2HB ARG 33 -1.268 0.984 -6.407
239 HB3 ARG 33 1HB ARG 33 -0.309 -0.485 -6.328
240 HG2 ARG 33 2HG ARG 33 -1.936 -1.594 -5.054
241 HG3 ARG 33 1HG ARG 33 -2.759 -0.084 -4.651
242 HD2 ARG 33 2HD ARG 33 -2.518 -1.157 -7.454
243 HD3 ARG 33 1HD ARG 33 -3.900 -1.476 -6.404
244 HE ARG 33 HE ARG 33 -3.893 1.149 -6.299
245 HH11 ARG 33 1HH1 ARG 33 -3.265 -0.801 -9.208
246 HH12 ARG 33 2HH1 ARG 33 -4.023 0.286 -10.251
247 HH21 ARG 33 1HH2 ARG 33 -4.974 2.618 -7.767
248 HH22 ARG 33 2HH2 ARG 33 -5.017 2.252 -9.423
249 H CYS 34 HN CYS 34 -1.260 2.779 -5.527
250 HA CYS 34 HA CYS 34 -2.086 3.863 -2.973
251 HB2 CYS 34 2HB CYS 34 -2.227 5.022 -5.762
252 HB3 CYS 34 1HB CYS 34 -2.566 5.882 -4.266
253 H ARG 35 HN ARG 35 -4.215 4.372 -2.521
254 HA ARG 35 HA ARG 35 -6.320 3.818 -4.461
255 HB2 ARG 35 2HB ARG 35 -6.407 1.769 -3.113
256 HB3 ARG 35 1HB ARG 35 -6.360 2.705 -1.622
257 HG2 ARG 35 2HG ARG 35 -8.556 3.716 -2.250
258 HG3 ARG 35 1HG ARG 35 -8.613 2.638 -3.637
259 HD2 ARG 35 2HD ARG 35 -8.386 1.659 -0.797
260 HD3 ARG 35 1HD ARG 35 -9.934 1.938 -1.580
261 HE ARG 35 HE ARG 35 -8.357 0.241 -3.172
262 HH11 ARG 35 1HH1 ARG 35 -10.246 0.211 -0.165
263 HH12 ARG 35 2HH1 ARG 35 -10.592 -1.444 -0.212
264 HH21 ARG 35 1HH2 ARG 35 -8.855 -2.055 -3.254
265 HH22 ARG 35 2HH2 ARG 35 -9.800 -2.761 -2.007
266 H GLY 36 HN GLY 36 -5.594 4.972 -1.202
267 HA2 GLY 36 2HA GLY 36 -7.728 6.745 -0.924
268 HA3 GLY 36 1HA GLY 36 -6.203 6.842 -0.057
269 H PHE 37 HN PHE 37 -8.043 8.805 -1.379
270 HA PHE 37 HA PHE 37 -6.892 9.980 -3.648
271 HB2 PHE 37 2HB PHE 37 -9.204 10.375 -2.869
272 HB3 PHE 37 1HB PHE 37 -8.580 11.241 -1.475
273 HD1 PHE 37 1HD PHE 37 -9.084 11.328 -5.092
274 HD2 PHE 37 2HD PHE 37 -7.779 13.511 -1.680
275 HE1 PHE 37 1HE PHE 37 -9.141 13.401 -6.391
276 HE2 PHE 37 2HE PHE 37 -7.838 15.588 -2.986
277 HZ PHE 37 HZ PHE 37 -8.516 15.532 -5.339
278 H ARG 38 HN ARG 38 -6.276 10.384 -0.235
279 HA ARG 38 HA ARG 38 -4.549 12.678 -0.610
280 HB2 ARG 38 2HB ARG 38 -4.963 10.973 1.860
281 HB3 ARG 38 1HB ARG 38 -4.165 12.533 1.799
282 HG2 ARG 38 2HG ARG 38 -6.195 13.639 1.218
283 HG3 ARG 38 1HG ARG 38 -7.039 12.103 1.037
284 HD2 ARG 38 2HD ARG 38 -6.637 11.654 3.424
285 HD3 ARG 38 1HD ARG 38 -5.907 13.254 3.579
286 HE ARG 38 HE ARG 38 -8.244 13.908 2.572
287 HH11 ARG 38 1HH1 ARG 38 -7.505 11.665 5.187
288 HH12 ARG 38 2HH1 ARG 38 -9.006 11.844 5.967
289 HH21 ARG 38 1HH2 ARG 38 -10.317 14.167 3.634
290 HH22 ARG 38 2HH2 ARG 38 -10.634 13.293 5.058
291 H ARG 39 HN ARG 39 -4.232 9.689 -1.448
292 HA ARG 39 HA ARG 39 -2.650 8.360 -2.141
293 HB2 ARG 39 2HB ARG 39 -0.824 10.724 -1.749
294 HB3 ARG 39 1HB ARG 39 -0.391 9.254 -2.610
295 HG2 ARG 39 2HG ARG 39 -2.632 11.123 -3.372
296 HG3 ARG 39 1HG ARG 39 -1.043 11.066 -4.136
297 HD2 ARG 39 2HD ARG 39 -1.442 8.832 -4.928
298 HD3 ARG 39 1HD ARG 39 -2.938 8.714 -4.012
299 HE ARG 39 HE ARG 39 -3.017 10.896 -5.781
300 HH11 ARG 39 1HH1 ARG 39 -3.114 7.372 -5.823
301 HH12 ARG 39 2HH1 ARG 39 -4.235 7.262 -7.089
302 HH21 ARG 39 1HH2 ARG 39 -4.589 10.756 -7.559
303 HH22 ARG 39 2HH2 ARG 39 -5.065 9.207 -8.097
304 H ARG 40 HN ARG 40 -3.217 7.259 -0.222
305 HA ARG 40 HA ARG 40 -0.916 6.938 1.567
306 HB2 ARG 40 2HB ARG 40 -3.160 7.343 2.611
307 HB3 ARG 40 1HB ARG 40 -3.749 5.896 1.832
308 HG2 ARG 40 2HG ARG 40 -3.285 5.424 4.139
309 HG3 ARG 40 1HG ARG 40 -2.128 4.563 3.126
310 HD2 ARG 40 2HD ARG 40 -0.457 6.309 3.568
311 HD3 ARG 40 1HD ARG 40 -1.629 7.156 4.582
312 HE ARG 40 HE ARG 40 -1.497 4.652 5.626
313 HH11 ARG 40 1HH1 ARG 40 0.938 7.199 5.032
314 HH12 ARG 40 2HH1 ARG 40 1.872 6.731 6.370
315 HH21 ARG 40 1HH2 ARG 40 -0.164 4.062 7.397
316 HH22 ARG 40 2HH2 ARG 40 1.283 4.928 7.706
317 H CYS 41 HN CYS 41 -0.068 4.793 1.841
318 HA CYS 41 HA CYS 41 -0.137 3.211 -0.544
319 HB2 CYS 41 2HB CYS 41 1.981 3.542 0.590
320 HB3 CYS 41 1HB CYS 41 1.327 2.886 2.080
321 H PHE 42 HN PHE 42 -1.190 1.425 -0.914
322 HA PHE 42 HA PHE 42 -2.500 0.015 1.274
323 HB2 PHE 42 2HB PHE 42 -3.594 0.601 -1.502
324 HB3 PHE 42 1HB PHE 42 -4.198 -0.613 -0.372
325 HD1 PHE 42 1HD PHE 42 -6.171 -0.105 0.475
326 HD2 PHE 42 2HD PHE 42 -3.366 3.028 -0.044
327 HE1 PHE 42 1HE PHE 42 -7.759 1.472 1.498
328 HE2 PHE 42 2HE PHE 42 -4.959 4.626 0.979
329 HZ PHE 42 HZ PHE 42 -7.154 3.840 1.744
330 H CYS 43 HN CYS 43 -1.716 -1.901 1.413
331 HA CYS 43 HA CYS 43 0.077 -3.034 -0.468
332 HB2 CYS 43 2HB CYS 43 -1.224 -4.162 2.005
333 HB3 CYS 43 1HB CYS 43 0.092 -4.926 1.114
334 H THR 44 HN THR 44 -0.307 -4.514 -1.981
335 HA THR 44 HA THR 44 -3.081 -5.057 -2.566
336 HB THR 44 HB THR 44 -0.603 -5.715 -4.166
337 HG1 THR 44 1HG THR 44 -1.534 -3.402 -3.497
338 HG21 THR 44 1HG2 THR 44 -3.518 -5.420 -4.962
339 HG22 THR 44 2HG2 THR 44 -2.654 -6.950 -4.825
340 HG23 THR 44 3HG2 THR 44 -2.186 -5.782 -6.059
341 H THR 45 HN THR 45 -3.975 -6.882 -2.083
342 HA THR 45 HA THR 45 -2.383 -9.280 -1.678
343 HB THR 45 HB THR 45 -2.874 -8.330 0.530
344 HG1 THR 45 1HG THR 45 -4.725 -10.168 0.881
345 HG21 THR 45 1HG2 THR 45 -4.812 -6.964 -0.067
346 HG22 THR 45 2HG2 THR 45 -5.146 -7.985 1.328
347 HG23 THR 45 3HG2 THR 45 -5.784 -8.426 -0.259
348 H HIS 46 HN HIS 46 -3.959 -11.172 -1.748
349 HA HIS 46 HA HIS 46 -5.835 -10.583 -3.909
350 HB2 HIS 46 2HB HIS 46 -4.042 -12.093 -4.572
351 HB3 HIS 46 1HB HIS 46 -4.442 -13.187 -3.251
352 HD1 HIS 46 1HD HIS 46 -6.195 -14.926 -3.724
353 HD2 HIS 46 2HD HIS 46 -6.028 -11.966 -6.619
354 HE1 HIS 46 1HE HIS 46 -7.778 -15.665 -5.539
355 H CYS 47 HN CYS 47 -7.886 -10.807 -3.628
356 HA CYS 47 HA CYS 47 -8.858 -12.276 -1.348
357 HB2 CYS 47 2HB CYS 47 -10.302 -10.367 -3.203
358 HB3 CYS 47 1HB CYS 47 -11.066 -11.218 -1.869
Start of MODEL 4
1 H1 ARG 1 1HT ARG 1 -8.005 -12.704 -7.300
2 H2 ARG 1 2HT ARG 1 -7.611 -11.736 -8.593
3 H3 ARG 1 3HT ARG 1 -8.980 -12.688 -8.684
4 HA ARG 1 HA ARG 1 -9.584 -10.401 -8.292
5 HB2 ARG 1 2HB ARG 1 -9.859 -12.063 -5.774
6 HB3 ARG 1 1HB ARG 1 -10.807 -10.635 -6.155
7 HG2 ARG 1 2HG ARG 1 -10.808 -13.172 -7.771
8 HG3 ARG 1 1HG ARG 1 -12.010 -12.753 -6.555
9 HD2 ARG 1 2HD ARG 1 -12.667 -10.812 -7.827
10 HD3 ARG 1 1HD ARG 1 -11.402 -11.116 -9.014
11 HE ARG 1 HE ARG 1 -13.238 -13.287 -8.628
12 HH11 ARG 1 1HH1 ARG 1 -12.639 -10.297 -10.456
13 HH12 ARG 1 2HH1 ARG 1 -13.597 -10.791 -11.772
14 HH21 ARG 1 1HH2 ARG 1 -14.568 -13.897 -10.461
15 HH22 ARG 1 2HH2 ARG 1 -14.706 -12.807 -11.761
16 H THR 2 HN THR 2 -8.396 -8.602 -7.997
17 HA THR 2 HA THR 2 -6.289 -8.626 -5.999
18 HB THR 2 HB THR 2 -7.024 -6.274 -7.675
19 HG1 THR 2 1HG THR 2 -6.535 -8.590 -8.709
20 HG21 THR 2 1HG2 THR 2 -4.393 -7.325 -6.639
21 HG22 THR 2 2HG2 THR 2 -5.307 -5.967 -5.985
22 HG23 THR 2 3HG2 THR 2 -4.591 -5.856 -7.594
23 H CYS 3 HN CYS 3 -6.282 -7.333 -4.306
24 HA CYS 3 HA CYS 3 -8.502 -5.556 -3.735
25 HB2 CYS 3 2HB CYS 3 -7.523 -7.785 -1.929
26 HB3 CYS 3 1HB CYS 3 -8.638 -6.519 -1.427
27 H GLN 4 HN GLN 4 -7.877 -4.192 -1.849
28 HA GLN 4 HA GLN 4 -5.002 -4.035 -1.490
29 HB2 GLN 4 2HB GLN 4 -6.792 -1.904 -2.532
30 HB3 GLN 4 1HB GLN 4 -5.397 -1.433 -1.600
31 HG2 GLN 4 2HG GLN 4 -4.003 -2.753 -3.213
32 HG3 GLN 4 1HG GLN 4 -5.461 -2.966 -4.187
33 HE21 GLN 4 1HE2 GLN 4 -3.091 -0.731 -3.028
34 HE22 GLN 4 2HE2 GLN 4 -3.475 0.552 -4.104
35 H SER 5 HN SER 5 -4.458 -3.890 0.520
36 HA SER 5 HA SER 5 -6.461 -3.008 2.491
37 HB2 SER 5 2HB SER 5 -5.764 -5.423 2.653
38 HB3 SER 5 1HB SER 5 -4.103 -4.890 2.886
39 HG SER 5 HG SER 5 -5.948 -5.234 4.707
40 H GLN 6 HN GLN 6 -5.857 -1.273 3.722
41 HA GLN 6 HA GLN 6 -3.712 0.300 2.853
42 HB2 GLN 6 2HB GLN 6 -4.248 1.784 4.736
43 HB3 GLN 6 1HB GLN 6 -5.672 1.305 3.828
44 HG2 GLN 6 2HG GLN 6 -6.213 -0.340 5.569
45 HG3 GLN 6 1HG GLN 6 -4.794 0.171 6.477
46 HE21 GLN 6 1HE2 GLN 6 -6.891 2.358 4.716
47 HE22 GLN 6 2HE2 GLN 6 -7.536 3.142 6.100
48 H SER 7 HN SER 7 -1.629 0.522 3.458
49 HA SER 7 HA SER 7 -0.361 -1.404 5.038
50 HB2 SER 7 2HB SER 7 0.659 1.356 4.422
51 HB3 SER 7 1HB SER 7 1.572 -0.154 4.530
52 HG SER 7 HG SER 7 0.792 -0.786 2.593
53 H HIS 8 HN HIS 8 0.244 -1.276 7.213
54 HA HIS 8 HA HIS 8 -1.166 0.831 8.669
55 HB2 HIS 8 2HB HIS 8 -1.744 -1.547 9.173
56 HB3 HIS 8 1HB HIS 8 -0.098 -1.784 9.750
57 HD1 HIS 8 1HD HIS 8 0.176 -1.439 12.246
58 HD2 HIS 8 2HD HIS 8 -3.117 0.559 10.685
59 HE1 HIS 8 1HE HIS 8 -0.979 -0.373 14.204
60 H ARG 9 HN ARG 9 1.999 -0.537 8.151
61 HA ARG 9 HA ARG 9 3.032 1.235 10.262
62 HB2 ARG 9 2HB ARG 9 5.063 -0.104 10.252
63 HB3 ARG 9 1HB ARG 9 3.651 -1.116 10.496
64 HG2 ARG 9 2HG ARG 9 3.762 -1.603 8.009
65 HG3 ARG 9 1HG ARG 9 5.360 -0.851 8.057
66 HD2 ARG 9 2HD ARG 9 5.475 -3.264 8.265
67 HD3 ARG 9 1HD ARG 9 6.077 -2.485 9.749
68 HE ARG 9 HE ARG 9 3.407 -3.700 9.401
69 HH11 ARG 9 1HH1 ARG 9 6.047 -2.810 11.559
70 HH12 ARG 9 2HH1 ARG 9 5.552 -3.842 12.811
71 HH21 ARG 9 1HH2 ARG 9 2.704 -5.075 11.130
72 HH22 ARG 9 2HH2 ARG 9 3.605 -5.150 12.571
73 H PHE 10 HN PHE 10 2.365 1.568 7.278
74 HA PHE 10 HA PHE 10 4.793 2.632 6.175
75 HB2 PHE 10 2HB PHE 10 2.970 1.645 4.792
76 HB3 PHE 10 1HB PHE 10 1.932 2.981 5.266
77 HD1 PHE 10 1HD PHE 10 2.065 5.070 4.165
78 HD2 PHE 10 2HD PHE 10 4.975 2.068 3.422
79 HE1 PHE 10 1HE PHE 10 2.912 6.362 2.274
80 HE2 PHE 10 2HE PHE 10 5.832 3.353 1.533
81 HZ PHE 10 HZ PHE 10 4.798 5.509 0.943
82 H ARG 11 HN ARG 11 5.453 4.702 6.203
83 HA ARG 11 HA ARG 11 3.738 6.666 7.547
84 HB2 ARG 11 2HB ARG 11 5.781 7.786 8.302
85 HB3 ARG 11 1HB ARG 11 5.697 6.134 8.892
86 HG2 ARG 11 2HG ARG 11 7.252 5.441 7.144
87 HG3 ARG 11 1HG ARG 11 7.353 7.107 6.575
88 HD2 ARG 11 2HD ARG 11 8.219 7.777 8.738
89 HD3 ARG 11 1HD ARG 11 8.102 6.107 9.299
90 HE ARG 11 HE ARG 11 9.732 6.716 6.949
91 HH11 ARG 11 1HH1 ARG 11 9.608 5.617 10.346
92 HH12 ARG 11 2HH1 ARG 11 11.207 5.049 10.341
93 HH21 ARG 11 1HH2 ARG 11 11.946 5.923 7.006
94 HH22 ARG 11 2HH2 ARG 11 12.550 5.243 8.437
95 H GLY 12 HN GLY 12 3.298 8.482 6.449
96 HA2 GLY 12 2HA GLY 12 3.783 10.276 5.027
97 HA3 GLY 12 1HA GLY 12 5.073 9.327 4.299
98 HA PRO 13 HA PRO 13 1.470 9.020 1.496
99 HB2 PRO 13 2HB PRO 13 2.353 10.397 -0.584
100 HB3 PRO 13 1HB PRO 13 1.726 11.231 0.839
101 HG2 PRO 13 2HG PRO 13 4.565 10.820 0.001
102 HG3 PRO 13 1HG PRO 13 3.817 12.237 0.756
103 HD2 PRO 13 2HD PRO 13 5.272 10.252 2.089
104 HD3 PRO 13 1HD PRO 13 4.181 11.424 2.853
105 H CYS 14 HN CYS 14 1.326 7.822 -0.466
106 HA CYS 14 HA CYS 14 3.305 5.743 -0.694
107 HB2 CYS 14 2HB CYS 14 1.736 4.765 -2.336
108 HB3 CYS 14 1HB CYS 14 0.979 5.161 -0.795
109 H LEU 15 HN LEU 15 3.586 8.653 -1.805
110 HA LEU 15 HA LEU 15 3.872 8.532 -4.604
111 HB2 LEU 15 2HB LEU 15 5.302 10.315 -2.640
112 HB3 LEU 15 1HB LEU 15 5.173 10.589 -4.366
113 HG LEU 15 HG LEU 15 2.862 10.567 -2.434
114 HD11 LEU 15 1HD1 LEU 15 4.266 12.855 -3.781
115 HD12 LEU 15 2HD1 LEU 15 4.277 12.478 -2.058
116 HD13 LEU 15 3HD1 LEU 15 2.779 12.978 -2.844
117 HD21 LEU 15 1HD2 LEU 15 2.177 9.860 -4.659
118 HD22 LEU 15 2HD2 LEU 15 2.974 11.266 -5.364
119 HD23 LEU 15 3HD2 LEU 15 1.574 11.482 -4.317
120 H ARG 16 HN ARG 16 5.900 7.491 -2.045
121 HA ARG 16 HA ARG 16 8.127 6.952 -3.861
122 HB2 ARG 16 2HB ARG 16 7.878 6.444 -0.876
123 HB3 ARG 16 1HB ARG 16 9.341 6.247 -1.824
124 HG2 ARG 16 2HG ARG 16 7.911 8.854 -1.317
125 HG3 ARG 16 1HG ARG 16 9.370 8.303 -0.499
126 HD2 ARG 16 2HD ARG 16 9.120 8.827 -3.466
127 HD3 ARG 16 1HD ARG 16 9.832 9.933 -2.299
128 HE ARG 16 HE ARG 16 11.221 7.627 -1.956
129 HH11 ARG 16 1HH1 ARG 16 10.557 9.633 -4.783
130 HH12 ARG 16 2HH1 ARG 16 12.051 9.343 -5.544
131 HH21 ARG 16 1HH2 ARG 16 13.259 7.204 -2.986
132 HH22 ARG 16 2HH2 ARG 16 13.647 7.917 -4.480
133 H ARG 17 HN ARG 17 7.577 5.284 -5.094
134 HA ARG 17 HA ARG 17 5.690 3.327 -4.383
135 HB2 ARG 17 2HB ARG 17 7.639 3.369 -6.671
136 HB3 ARG 17 1HB ARG 17 6.369 2.170 -6.483
137 HG2 ARG 17 2HG ARG 17 4.704 3.971 -6.538
138 HG3 ARG 17 1HG ARG 17 5.996 5.138 -6.837
139 HD2 ARG 17 2HD ARG 17 6.579 3.950 -8.895
140 HD3 ARG 17 1HD ARG 17 5.303 2.776 -8.577
141 HE ARG 17 HE ARG 17 4.308 5.432 -8.642
142 HH11 ARG 17 1HH1 ARG 17 5.293 2.756 -10.737
143 HH12 ARG 17 2HH1 ARG 17 4.350 3.246 -12.073
144 HH21 ARG 17 1HH2 ARG 17 3.002 6.103 -10.472
145 HH22 ARG 17 2HH2 ARG 17 3.007 5.187 -11.914
146 H SER 18 HN SER 18 9.229 3.188 -4.405
147 HA SER 18 HA SER 18 9.329 0.413 -3.949
148 HB2 SER 18 2HB SER 18 11.372 2.542 -3.278
149 HB3 SER 18 1HB SER 18 11.669 0.803 -3.354
150 HG SER 18 HG SER 18 11.777 0.905 -5.424
151 H ASN 19 HN ASN 19 9.130 3.193 -1.835
152 HA ASN 19 HA ASN 19 9.517 1.850 0.633
153 HB2 ASN 19 2HB ASN 19 7.965 4.376 -0.004
154 HB3 ASN 19 1HB ASN 19 8.199 3.775 1.627
155 HD21 ASN 19 1HD2 ASN 19 9.234 5.711 2.167
156 HD22 ASN 19 2HD2 ASN 19 10.849 6.049 1.649
157 H CYS 20 HN CYS 20 6.647 2.742 -1.185
158 HA CYS 20 HA CYS 20 4.665 1.711 0.463
159 HB2 CYS 20 2HB CYS 20 4.320 3.216 -1.491
160 HB3 CYS 20 1HB CYS 20 4.738 1.900 -2.568
161 H ALA 21 HN ALA 21 6.305 0.150 -2.297
162 HA ALA 21 HA ALA 21 4.985 -2.320 -2.070
163 HB1 ALA 21 1HB ALA 21 7.665 -1.720 -3.304
164 HB2 ALA 21 2HB ALA 21 6.104 -1.578 -4.113
165 HB3 ALA 21 3HB ALA 21 6.687 -3.158 -3.585
166 H ASN 22 HN ASN 22 8.158 -1.277 -0.820
167 HA ASN 22 HA ASN 22 8.731 -3.872 0.177
168 HB2 ASN 22 2HB ASN 22 10.116 -1.236 0.673
169 HB3 ASN 22 1HB ASN 22 10.663 -2.750 1.389
170 HD21 ASN 22 1HD2 ASN 22 12.002 -1.011 -0.558
171 HD22 ASN 22 2HD2 ASN 22 12.320 -1.992 -1.941
172 H VAL 23 HN VAL 23 7.291 -1.049 1.687
173 HA VAL 23 HA VAL 23 7.331 -2.169 4.294
174 HB VAL 23 HB VAL 23 5.515 -0.040 3.096
175 HG11 VAL 23 1HG1 VAL 23 5.785 -0.894 5.983
176 HG12 VAL 23 2HG1 VAL 23 4.364 -1.144 4.969
177 HG13 VAL 23 3HG1 VAL 23 4.858 0.491 5.411
178 HG21 VAL 23 1HG2 VAL 23 6.855 1.490 4.419
179 HG22 VAL 23 2HG2 VAL 23 7.870 0.574 3.303
180 HG23 VAL 23 3HG2 VAL 23 7.830 0.149 5.015
181 H CYS 24 HN CYS 24 4.957 -2.203 1.677
182 HA CYS 24 HA CYS 24 3.122 -3.812 3.012
183 HB2 CYS 24 2HB CYS 24 3.688 -3.320 0.123
184 HB3 CYS 24 1HB CYS 24 2.404 -4.418 0.611
185 H ARG 25 HN ARG 25 5.986 -4.645 1.183
186 HA ARG 25 HA ARG 25 5.671 -7.426 1.093
187 HB2 ARG 25 2HB ARG 25 7.467 -6.072 -0.044
188 HB3 ARG 25 1HB ARG 25 8.259 -5.922 1.515
189 HG2 ARG 25 2HG ARG 25 8.314 -8.453 1.568
190 HG3 ARG 25 1HG ARG 25 7.867 -8.394 -0.141
191 HD2 ARG 25 2HD ARG 25 10.252 -8.545 -0.001
192 HD3 ARG 25 1HD ARG 25 9.841 -6.905 -0.513
193 HE ARG 25 HE ARG 25 10.202 -7.353 2.331
194 HH11 ARG 25 1HH1 ARG 25 11.656 -6.094 -0.651
195 HH12 ARG 25 2HH1 ARG 25 12.870 -5.240 0.183
196 HH21 ARG 25 1HH2 ARG 25 11.892 -6.111 3.429
197 HH22 ARG 25 2HH2 ARG 25 12.988 -5.241 2.471
198 H THR 26 HN THR 26 7.062 -5.276 3.607
199 HA THR 26 HA THR 26 7.867 -7.196 5.397
200 HB THR 26 HB THR 26 6.936 -4.358 5.846
201 HG1 THR 26 1HG THR 26 8.624 -4.579 4.162
202 HG21 THR 26 1HG2 THR 26 7.264 -5.691 7.813
203 HG22 THR 26 2HG2 THR 26 8.499 -4.416 7.662
204 HG23 THR 26 3HG2 THR 26 8.890 -6.109 7.248
205 H GLU 27 HN GLU 27 4.770 -5.519 4.878
206 HA GLU 27 HA GLU 27 3.607 -6.688 7.214
207 HB2 GLU 27 2HB GLU 27 2.387 -4.962 5.049
208 HB3 GLU 27 1HB GLU 27 1.468 -5.573 6.433
209 HG2 GLU 27 2HG GLU 27 3.176 -4.447 7.879
210 HG3 GLU 27 1HG GLU 27 3.792 -3.680 6.424
211 H GLY 28 HN GLY 28 4.373 -8.107 4.434
212 HA2 GLY 28 2HA GLY 28 3.951 -10.436 4.176
213 HA3 GLY 28 1HA GLY 28 2.396 -10.212 4.952
214 H PHE 29 HN PHE 29 3.148 -7.928 2.529
215 HA PHE 29 HA PHE 29 1.311 -9.325 0.727
216 HB2 PHE 29 2HB PHE 29 1.770 -6.374 1.156
217 HB3 PHE 29 1HB PHE 29 0.682 -7.043 -0.058
218 HD1 PHE 29 1HD PHE 29 -1.170 -8.544 0.751
219 HD2 PHE 29 2HD PHE 29 1.014 -5.987 3.338
220 HE1 PHE 29 1HE PHE 29 -2.964 -8.688 2.368
221 HE2 PHE 29 2HE PHE 29 -0.789 -6.109 4.998
222 HZ PHE 29 HZ PHE 29 -2.796 -7.462 4.532
223 HA PRO 30 HA PRO 30 4.461 -9.329 -2.402
224 HB2 PRO 30 2HB PRO 30 3.015 -8.835 -4.674
225 HB3 PRO 30 1HB PRO 30 3.022 -10.394 -3.843
226 HG2 PRO 30 2HG PRO 30 1.014 -8.176 -3.690
227 HG3 PRO 30 1HG PRO 30 0.742 -9.923 -3.814
228 HD2 PRO 30 2HD PRO 30 0.519 -8.633 -1.461
229 HD3 PRO 30 1HD PRO 30 1.164 -10.274 -1.561
230 H GLY 31 HN GLY 31 2.356 -6.520 -2.218
231 HA2 GLY 31 2HA GLY 31 4.451 -4.697 -2.455
232 HA3 GLY 31 1HA GLY 31 3.692 -4.881 -4.034
233 H GLY 32 HN GLY 32 3.293 -2.542 -3.553
234 HA2 GLY 32 2HA GLY 32 0.646 -2.325 -2.386
235 HA3 GLY 32 1HA GLY 32 1.913 -1.251 -1.787
236 H ARG 33 HN ARG 33 -0.398 -0.386 -2.970
237 HA ARG 33 HA ARG 33 0.640 1.079 -5.269
238 HB2 ARG 33 2HB ARG 33 -0.592 -0.791 -6.266
239 HB3 ARG 33 1HB ARG 33 -1.953 -0.487 -5.189
240 HG2 ARG 33 2HG ARG 33 -2.246 1.712 -6.326
241 HG3 ARG 33 1HG ARG 33 -1.006 1.212 -7.473
242 HD2 ARG 33 2HD ARG 33 -2.358 -0.563 -8.288
243 HD3 ARG 33 1HD ARG 33 -3.517 -0.369 -6.968
244 HE ARG 33 HE ARG 33 -3.308 2.042 -8.347
245 HH11 ARG 33 1HH1 ARG 33 -4.595 -1.198 -8.928
246 HH12 ARG 33 2HH1 ARG 33 -5.829 -0.673 -9.966
247 HH21 ARG 33 1HH2 ARG 33 -5.017 2.776 -9.741
248 HH22 ARG 33 2HH2 ARG 33 -6.088 1.653 -10.431
249 H CYS 34 HN CYS 34 -0.682 3.020 -5.587
250 HA CYS 34 HA CYS 34 -1.576 4.123 -3.099
251 HB2 CYS 34 2HB CYS 34 -1.516 5.265 -5.893
252 HB3 CYS 34 1HB CYS 34 -2.082 6.157 -4.488
253 H ARG 35 HN ARG 35 -3.518 3.983 -2.324
254 HA ARG 35 HA ARG 35 -5.769 3.924 -4.205
255 HB2 ARG 35 2HB ARG 35 -5.479 1.643 -3.339
256 HB3 ARG 35 1HB ARG 35 -5.560 2.245 -1.695
257 HG2 ARG 35 2HG ARG 35 -7.650 1.182 -2.321
258 HG3 ARG 35 1HG ARG 35 -7.895 2.905 -2.050
259 HD2 ARG 35 2HD ARG 35 -9.117 2.167 -4.019
260 HD3 ARG 35 1HD ARG 35 -7.838 3.286 -4.479
261 HE ARG 35 HE ARG 35 -6.760 0.750 -4.714
262 HH11 ARG 35 1HH1 ARG 35 -9.442 2.502 -6.232
263 HH12 ARG 35 2HH1 ARG 35 -9.376 1.580 -7.658
264 HH21 ARG 35 1HH2 ARG 35 -6.691 -0.452 -6.662
265 HH22 ARG 35 2HH2 ARG 35 -7.803 -0.094 -7.923
266 H GLY 36 HN GLY 36 -4.411 5.082 -1.245
267 HA2 GLY 36 2HA GLY 36 -6.797 6.286 -0.272
268 HA3 GLY 36 1HA GLY 36 -5.150 6.662 0.231
269 H PHE 37 HN PHE 37 -7.497 8.360 -0.512
270 HA PHE 37 HA PHE 37 -6.834 9.630 -2.973
271 HB2 PHE 37 2HB PHE 37 -9.143 9.623 -2.094
272 HB3 PHE 37 1HB PHE 37 -8.625 10.594 -0.722
273 HD1 PHE 37 1HD PHE 37 -8.878 12.888 -0.836
274 HD2 PHE 37 2HD PHE 37 -8.628 10.658 -4.452
275 HE1 PHE 37 1HE PHE 37 -9.297 14.937 -2.128
276 HE2 PHE 37 2HE PHE 37 -9.047 12.705 -5.746
277 HZ PHE 37 HZ PHE 37 -9.380 14.846 -4.579
278 H ARG 38 HN ARG 38 -5.885 10.020 0.323
279 HA ARG 38 HA ARG 38 -4.536 12.545 -0.232
280 HB2 ARG 38 2HB ARG 38 -4.644 10.884 2.306
281 HB3 ARG 38 1HB ARG 38 -3.880 12.450 2.153
282 HG2 ARG 38 2HG ARG 38 -5.993 13.511 1.728
283 HG3 ARG 38 1HG ARG 38 -6.808 11.946 1.700
284 HD2 ARG 38 2HD ARG 38 -5.339 13.089 4.069
285 HD3 ARG 38 1HD ARG 38 -7.086 13.155 3.837
286 HE ARG 38 HE ARG 38 -6.778 10.582 3.682
287 HH11 ARG 38 1HH1 ARG 38 -4.978 12.696 5.897
288 HH12 ARG 38 2HH1 ARG 38 -4.931 11.562 7.162
289 HH21 ARG 38 1HH2 ARG 38 -6.708 9.035 5.399
290 HH22 ARG 38 2HH2 ARG 38 -5.950 9.417 6.876
291 H ARG 39 HN ARG 39 -4.043 9.703 -1.151
292 HA ARG 39 HA ARG 39 -2.426 8.477 -1.977
293 HB2 ARG 39 2HB ARG 39 -0.540 10.738 -1.272
294 HB3 ARG 39 1HB ARG 39 -0.118 9.348 -2.264
295 HG2 ARG 39 2HG ARG 39 -2.193 11.439 -2.909
296 HG3 ARG 39 1HG ARG 39 -0.613 11.257 -3.674
297 HD2 ARG 39 2HD ARG 39 -1.251 9.114 -4.587
298 HD3 ARG 39 1HD ARG 39 -2.773 9.148 -3.707
299 HE ARG 39 HE ARG 39 -2.162 11.168 -5.727
300 HH11 ARG 39 1HH1 ARG 39 -4.299 8.618 -4.442
301 HH12 ARG 39 2HH1 ARG 39 -5.454 8.765 -5.658
302 HH21 ARG 39 1HH2 ARG 39 -3.831 11.444 -7.367
303 HH22 ARG 39 2HH2 ARG 39 -5.211 10.454 -7.336
304 H ARG 40 HN ARG 40 -3.198 7.307 -0.191
305 HA ARG 40 HA ARG 40 -1.099 6.706 1.747
306 HB2 ARG 40 2HB ARG 40 -3.407 7.025 2.594
307 HB3 ARG 40 1HB ARG 40 -3.946 5.723 1.551
308 HG2 ARG 40 2HG ARG 40 -3.750 4.912 3.813
309 HG3 ARG 40 1HG ARG 40 -2.517 4.152 2.808
310 HD2 ARG 40 2HD ARG 40 -0.877 5.800 3.624
311 HD3 ARG 40 1HD ARG 40 -2.125 6.487 4.666
312 HE ARG 40 HE ARG 40 -1.891 3.743 5.168
313 HH11 ARG 40 1HH1 ARG 40 -0.180 6.792 5.697
314 HH12 ARG 40 2HH1 ARG 40 0.668 6.261 7.071
315 HH21 ARG 40 1HH2 ARG 40 -0.703 2.985 7.042
316 HH22 ARG 40 2HH2 ARG 40 0.370 4.049 7.858
317 H CYS 41 HN CYS 41 -0.056 4.779 1.685
318 HA CYS 41 HA CYS 41 -0.164 3.231 -0.696
319 HB2 CYS 41 2HB CYS 41 1.950 3.594 0.561
320 HB3 CYS 41 1HB CYS 41 1.278 2.716 1.925
321 H PHE 42 HN PHE 42 -1.372 1.535 -1.068
322 HA PHE 42 HA PHE 42 -2.522 0.101 1.185
323 HB2 PHE 42 2HB PHE 42 -3.777 0.832 -1.457
324 HB3 PHE 42 1HB PHE 42 -4.214 -0.594 -0.522
325 HD1 PHE 42 1HD PHE 42 -6.248 -0.371 0.403
326 HD2 PHE 42 2HD PHE 42 -3.638 2.983 0.431
327 HE1 PHE 42 1HE PHE 42 -7.919 0.910 1.668
328 HE2 PHE 42 2HE PHE 42 -5.326 4.267 1.709
329 HZ PHE 42 HZ PHE 42 -7.453 3.227 2.315
330 H CYS 43 HN CYS 43 -1.850 -1.815 1.255
331 HA CYS 43 HA CYS 43 -0.009 -2.880 -0.559
332 HB2 CYS 43 2HB CYS 43 -1.490 -4.133 1.731
333 HB3 CYS 43 1HB CYS 43 -0.044 -4.772 0.951
334 H THR 44 HN THR 44 -0.360 -4.055 -2.255
335 HA THR 44 HA THR 44 -2.914 -4.769 -3.195
336 HB THR 44 HB THR 44 -0.169 -5.673 -4.092
337 HG1 THR 44 1HG THR 44 -0.006 -3.785 -5.158
338 HG21 THR 44 1HG2 THR 44 -2.060 -6.864 -5.138
339 HG22 THR 44 2HG2 THR 44 -1.240 -5.826 -6.306
340 HG23 THR 44 3HG2 THR 44 -2.773 -5.320 -5.600
341 H THR 45 HN THR 45 -3.956 -6.609 -2.720
342 HA THR 45 HA THR 45 -2.471 -8.919 -1.835
343 HB THR 45 HB THR 45 -3.086 -7.746 0.234
344 HG1 THR 45 1HG THR 45 -4.718 -9.429 0.991
345 HG21 THR 45 1HG2 THR 45 -5.413 -7.356 0.872
346 HG22 THR 45 2HG2 THR 45 -5.945 -7.962 -0.691
347 HG23 THR 45 3HG2 THR 45 -5.013 -6.466 -0.600
348 H HIS 46 HN HIS 46 -3.968 -10.793 -1.824
349 HA HIS 46 HA HIS 46 -5.871 -10.505 -4.029
350 HB2 HIS 46 2HB HIS 46 -3.921 -11.946 -4.509
351 HB3 HIS 46 1HB HIS 46 -4.325 -12.944 -3.119
352 HD1 HIS 46 1HD HIS 46 -6.251 -14.618 -3.394
353 HD2 HIS 46 2HD HIS 46 -5.561 -12.259 -6.727
354 HE1 HIS 46 1HE HIS 46 -7.683 -15.569 -5.188
355 H CYS 47 HN CYS 47 -7.934 -11.209 -3.757
356 HA CYS 47 HA CYS 47 -8.650 -12.242 -1.126
357 HB2 CYS 47 2HB CYS 47 -10.349 -10.826 -3.184
358 HB3 CYS 47 1HB CYS 47 -10.976 -11.517 -1.692
Start of MODEL 5
1 H1 ARG 1 1HT ARG 1 -9.691 -13.282 -6.871
2 H2 ARG 1 2HT ARG 1 -8.949 -12.847 -5.421
3 H3 ARG 1 3HT ARG 1 -8.053 -12.947 -6.820
4 HA ARG 1 HA ARG 1 -9.211 -11.092 -7.843
5 HB2 ARG 1 2HB ARG 1 -10.495 -10.752 -5.122
6 HB3 ARG 1 1HB ARG 1 -10.715 -9.716 -6.515
7 HG2 ARG 1 2HG ARG 1 -11.838 -11.585 -7.679
8 HG3 ARG 1 1HG ARG 1 -11.631 -12.544 -6.208
9 HD2 ARG 1 2HD ARG 1 -13.848 -11.656 -6.191
10 HD3 ARG 1 1HD ARG 1 -12.895 -10.845 -4.960
11 HE ARG 1 HE ARG 1 -12.790 -9.361 -7.334
12 HH11 ARG 1 1HH1 ARG 1 -15.068 -10.175 -4.744
13 HH12 ARG 1 2HH1 ARG 1 -16.009 -8.779 -4.907
14 HH21 ARG 1 1HH2 ARG 1 -14.090 -7.434 -7.588
15 HH22 ARG 1 2HH2 ARG 1 -15.446 -7.169 -6.592
16 H THR 2 HN THR 2 -8.001 -9.126 -7.709
17 HA THR 2 HA THR 2 -6.117 -8.980 -5.563
18 HB THR 2 HB THR 2 -5.479 -6.810 -6.811
19 HG1 THR 2 1HG THR 2 -6.273 -6.579 -8.840
20 HG21 THR 2 1HG2 THR 2 -5.269 -9.499 -8.173
21 HG22 THR 2 2HG2 THR 2 -4.159 -8.847 -6.967
22 HG23 THR 2 3HG2 THR 2 -4.274 -8.095 -8.557
23 H CYS 3 HN CYS 3 -6.464 -7.969 -3.723
24 HA CYS 3 HA CYS 3 -8.630 -6.010 -3.579
25 HB2 CYS 3 2HB CYS 3 -7.651 -7.993 -1.501
26 HB3 CYS 3 1HB CYS 3 -8.933 -6.797 -1.246
27 H GLN 4 HN GLN 4 -8.165 -4.121 -2.610
28 HA GLN 4 HA GLN 4 -5.370 -3.692 -1.829
29 HB2 GLN 4 2HB GLN 4 -7.435 -1.746 -2.855
30 HB3 GLN 4 1HB GLN 4 -5.925 -1.215 -2.164
31 HG2 GLN 4 2HG GLN 4 -5.605 -1.102 -4.473
32 HG3 GLN 4 1HG GLN 4 -4.802 -2.594 -4.004
33 HE21 GLN 4 1HE2 GLN 4 -5.640 -4.529 -4.738
34 HE22 GLN 4 2HE2 GLN 4 -6.883 -4.623 -5.936
35 H SER 5 HN SER 5 -4.931 -3.515 0.168
36 HA SER 5 HA SER 5 -6.953 -2.499 2.040
37 HB2 SER 5 2HB SER 5 -4.782 -4.554 2.557
38 HB3 SER 5 1HB SER 5 -6.080 -4.073 3.651
39 HG SER 5 HG SER 5 -6.638 -5.994 2.655
40 H GLN 6 HN GLN 6 -6.188 -0.716 3.191
41 HA GLN 6 HA GLN 6 -3.759 0.464 2.413
42 HB2 GLN 6 2HB GLN 6 -4.121 2.186 4.072
43 HB3 GLN 6 1HB GLN 6 -5.623 1.830 3.246
44 HG2 GLN 6 2HG GLN 6 -6.405 0.572 5.172
45 HG3 GLN 6 1HG GLN 6 -4.864 0.842 5.988
46 HE21 GLN 6 1HE2 GLN 6 -4.375 2.924 6.748
47 HE22 GLN 6 2HE2 GLN 6 -5.608 4.115 6.942
48 H SER 7 HN SER 7 -1.776 0.556 3.204
49 HA SER 7 HA SER 7 -0.735 -1.492 4.758
50 HB2 SER 7 2HB SER 7 0.389 1.256 4.363
51 HB3 SER 7 1HB SER 7 1.291 -0.261 4.542
52 HG SER 7 HG SER 7 0.659 -0.857 2.503
53 H HIS 8 HN HIS 8 0.117 -1.396 6.945
54 HA HIS 8 HA HIS 8 -1.493 0.397 8.603
55 HB2 HIS 8 2HB HIS 8 -0.064 -2.156 9.357
56 HB3 HIS 8 1HB HIS 8 -1.124 -1.216 10.399
57 HD1 HIS 8 1HD HIS 8 -1.136 -3.713 7.671
58 HD2 HIS 8 2HD HIS 8 -3.866 -1.446 9.807
59 HE1 HIS 8 1HE HIS 8 -3.418 -4.699 7.150
60 H ARG 9 HN ARG 9 1.755 -0.914 8.217
61 HA ARG 9 HA ARG 9 2.730 1.084 10.128
62 HB2 ARG 9 2HB ARG 9 4.844 -0.184 10.144
63 HB3 ARG 9 1HB ARG 9 3.476 -1.191 10.555
64 HG2 ARG 9 2HG ARG 9 3.499 -2.103 8.257
65 HG3 ARG 9 1HG ARG 9 4.914 -1.103 7.922
66 HD2 ARG 9 2HD ARG 9 4.766 -3.232 10.054
67 HD3 ARG 9 1HD ARG 9 5.496 -3.443 8.468
68 HE ARG 9 HE ARG 9 6.606 -1.203 9.793
69 HH11 ARG 9 1HH1 ARG 9 6.738 -4.753 9.876
70 HH12 ARG 9 2HH1 ARG 9 8.335 -4.814 10.463
71 HH21 ARG 9 1HH2 ARG 9 8.802 -1.311 10.629
72 HH22 ARG 9 2HH2 ARG 9 9.535 -2.808 10.921
73 H PHE 10 HN PHE 10 1.874 1.755 7.436
74 HA PHE 10 HA PHE 10 4.237 2.385 5.940
75 HB2 PHE 10 2HB PHE 10 2.170 1.964 4.740
76 HB3 PHE 10 1HB PHE 10 1.371 3.312 5.545
77 HD1 PHE 10 1HD PHE 10 4.050 2.388 3.133
78 HD2 PHE 10 2HD PHE 10 1.609 5.509 4.714
79 HE1 PHE 10 1HE PHE 10 4.818 3.859 1.399
80 HE2 PHE 10 2HE PHE 10 2.394 6.989 2.951
81 HZ PHE 10 HZ PHE 10 4.004 6.174 1.290
82 H ARG 11 HN ARG 11 5.359 4.192 5.853
83 HA ARG 11 HA ARG 11 4.538 6.429 7.522
84 HB2 ARG 11 2HB ARG 11 6.946 6.604 8.263
85 HB3 ARG 11 1HB ARG 11 6.023 5.273 8.944
86 HG2 ARG 11 2HG ARG 11 7.049 3.739 7.348
87 HG3 ARG 11 1HG ARG 11 7.968 5.076 6.655
88 HD2 ARG 11 2HD ARG 11 9.126 5.415 8.714
89 HD3 ARG 11 1HD ARG 11 8.113 4.218 9.524
90 HE ARG 11 HE ARG 11 9.095 2.655 7.739
91 HH11 ARG 11 1HH1 ARG 11 10.925 5.241 9.305
92 HH12 ARG 11 2HH1 ARG 11 12.418 4.442 9.189
93 HH21 ARG 11 1HH2 ARG 11 11.145 1.558 7.601
94 HH22 ARG 11 2HH2 ARG 11 12.552 2.298 8.218
95 H GLY 12 HN GLY 12 4.532 8.221 6.392
96 HA2 GLY 12 2HA GLY 12 5.830 9.881 5.265
97 HA3 GLY 12 1HA GLY 12 6.630 8.586 4.385
98 HA PRO 13 HA PRO 13 3.274 9.900 1.621
99 HB2 PRO 13 2HB PRO 13 4.766 10.678 -0.463
100 HB3 PRO 13 1HB PRO 13 4.514 11.726 0.936
101 HG2 PRO 13 2HG PRO 13 6.934 10.227 0.124
102 HG3 PRO 13 1HG PRO 13 6.798 11.694 1.102
103 HD2 PRO 13 2HD PRO 13 7.137 8.995 2.026
104 HD3 PRO 13 1HD PRO 13 6.932 10.461 3.002
105 H CYS 14 HN CYS 14 2.286 8.629 0.130
106 HA CYS 14 HA CYS 14 3.395 6.068 -0.536
107 HB2 CYS 14 2HB CYS 14 0.974 6.414 -0.183
108 HB3 CYS 14 1HB CYS 14 0.917 7.445 -1.601
109 H LEU 15 HN LEU 15 3.723 9.123 -1.821
110 HA LEU 15 HA LEU 15 3.844 8.703 -4.598
111 HB2 LEU 15 2HB LEU 15 5.241 10.762 -2.900
112 HB3 LEU 15 1HB LEU 15 5.081 10.828 -4.643
113 HG LEU 15 HG LEU 15 2.775 10.918 -2.691
114 HD11 LEU 15 1HD1 LEU 15 4.145 12.925 -2.573
115 HD12 LEU 15 2HD1 LEU 15 2.582 13.251 -3.316
116 HD13 LEU 15 3HD1 LEU 15 4.024 13.118 -4.324
117 HD21 LEU 15 1HD2 LEU 15 2.126 9.940 -4.829
118 HD22 LEU 15 2HD2 LEU 15 2.861 11.293 -5.686
119 HD23 LEU 15 3HD2 LEU 15 1.452 11.561 -4.664
120 H ARG 16 HN ARG 16 5.873 7.581 -2.198
121 HA ARG 16 HA ARG 16 7.957 7.047 -4.178
122 HB2 ARG 16 2HB ARG 16 8.153 6.799 -1.156
123 HB3 ARG 16 1HB ARG 16 9.462 6.584 -2.308
124 HG2 ARG 16 2HG ARG 16 8.043 9.153 -1.635
125 HG3 ARG 16 1HG ARG 16 9.705 8.714 -1.236
126 HD2 ARG 16 2HD ARG 16 8.594 9.105 -4.019
127 HD3 ARG 16 1HD ARG 16 9.602 10.250 -3.144
128 HE ARG 16 HE ARG 16 11.087 8.017 -3.137
129 HH11 ARG 16 1HH1 ARG 16 9.440 9.676 -5.824
130 HH12 ARG 16 2HH1 ARG 16 10.705 9.382 -6.922
131 HH21 ARG 16 1HH2 ARG 16 12.788 7.636 -4.677
132 HH22 ARG 16 2HH2 ARG 16 12.614 8.218 -6.277
133 H ARG 17 HN ARG 17 7.066 5.305 -5.137
134 HA ARG 17 HA ARG 17 5.488 3.470 -3.692
135 HB2 ARG 17 2HB ARG 17 5.364 2.101 -5.711
136 HB3 ARG 17 1HB ARG 17 5.014 3.787 -6.031
137 HG2 ARG 17 2HG ARG 17 7.291 4.056 -6.920
138 HG3 ARG 17 1HG ARG 17 7.579 2.339 -6.639
139 HD2 ARG 17 2HD ARG 17 6.954 2.670 -8.946
140 HD3 ARG 17 1HD ARG 17 5.668 1.820 -8.099
141 HE ARG 17 HE ARG 17 5.138 4.547 -7.980
142 HH11 ARG 17 1HH1 ARG 17 5.195 1.941 -10.395
143 HH12 ARG 17 2HH1 ARG 17 4.083 2.688 -11.437
144 HH21 ARG 17 1HH2 ARG 17 3.562 5.552 -9.406
145 HH22 ARG 17 2HH2 ARG 17 3.119 4.773 -10.855
146 H SER 18 HN SER 18 8.851 3.643 -4.068
147 HA SER 18 HA SER 18 9.541 0.960 -3.704
148 HB2 SER 18 2HB SER 18 11.638 2.100 -2.733
149 HB3 SER 18 1HB SER 18 11.209 2.508 -4.395
150 HG SER 18 HG SER 18 11.557 4.178 -2.432
151 H ASN 19 HN ASN 19 8.750 3.602 -1.563
152 HA ASN 19 HA ASN 19 9.152 2.328 0.948
153 HB2 ASN 19 2HB ASN 19 9.100 4.801 0.623
154 HB3 ASN 19 1HB ASN 19 7.407 4.673 0.171
155 HD21 ASN 19 1HD2 ASN 19 6.854 6.117 1.763
156 HD22 ASN 19 2HD2 ASN 19 6.810 5.679 3.431
157 H CYS 20 HN CYS 20 6.337 3.001 -1.060
158 HA CYS 20 HA CYS 20 4.298 1.859 0.474
159 HB2 CYS 20 2HB CYS 20 3.901 3.273 -1.508
160 HB3 CYS 20 1HB CYS 20 4.607 2.040 -2.534
161 H ALA 21 HN ALA 21 6.145 0.337 -2.195
162 HA ALA 21 HA ALA 21 5.064 -2.226 -1.895
163 HB1 ALA 21 1HB ALA 21 6.904 -2.976 -3.292
164 HB2 ALA 21 2HB ALA 21 7.752 -1.454 -3.017
165 HB3 ALA 21 3HB ALA 21 6.234 -1.466 -3.913
166 H ASN 22 HN ASN 22 7.874 -0.683 -0.413
167 HA ASN 22 HA ASN 22 9.048 -2.954 0.763
168 HB2 ASN 22 2HB ASN 22 10.119 -0.696 0.666
169 HB3 ASN 22 1HB ASN 22 8.994 -0.164 1.904
170 HD21 ASN 22 1HD2 ASN 22 10.482 0.228 3.464
171 HD22 ASN 22 2HD2 ASN 22 11.399 -1.004 4.227
172 H VAL 23 HN VAL 23 6.760 -0.597 2.100
173 HA VAL 23 HA VAL 23 6.489 -1.772 4.608
174 HB VAL 23 HB VAL 23 4.564 -0.004 3.072
175 HG11 VAL 23 1HG1 VAL 23 4.529 -0.797 5.985
176 HG12 VAL 23 2HG1 VAL 23 3.348 -1.288 4.775
177 HG13 VAL 23 3HG1 VAL 23 3.477 0.408 5.246
178 HG21 VAL 23 1HG2 VAL 23 5.458 1.757 4.523
179 HG22 VAL 23 2HG2 VAL 23 6.747 0.980 3.609
180 HG23 VAL 23 3HG2 VAL 23 6.507 0.578 5.306
181 H CYS 24 HN CYS 24 4.518 -2.127 1.696
182 HA CYS 24 HA CYS 24 2.761 -3.985 2.774
183 HB2 CYS 24 2HB CYS 24 3.642 -3.488 -0.057
184 HB3 CYS 24 1HB CYS 24 2.353 -4.616 0.347
185 H ARG 25 HN ARG 25 5.847 -4.484 1.110
186 HA ARG 25 HA ARG 25 5.813 -7.275 1.082
187 HB2 ARG 25 2HB ARG 25 7.411 -5.983 -0.222
188 HB3 ARG 25 1HB ARG 25 8.161 -5.385 1.246
189 HG2 ARG 25 2HG ARG 25 8.885 -7.659 1.803
190 HG3 ARG 25 1HG ARG 25 8.139 -8.253 0.317
191 HD2 ARG 25 2HD ARG 25 10.545 -7.924 0.037
192 HD3 ARG 25 1HD ARG 25 9.623 -6.840 -1.004
193 HE ARG 25 HE ARG 25 10.273 -5.642 1.493
194 HH11 ARG 25 1HH1 ARG 25 11.688 -6.442 -1.652
195 HH12 ARG 25 2HH1 ARG 25 12.794 -5.149 -1.645
196 HH21 ARG 25 1HH2 ARG 25 11.792 -3.847 1.499
197 HH22 ARG 25 2HH2 ARG 25 12.874 -3.666 0.197
198 H THR 26 HN THR 26 7.097 -5.038 3.566
199 HA THR 26 HA THR 26 8.002 -7.182 5.181
200 HB THR 26 HB THR 26 9.055 -4.927 5.355
201 HG1 THR 26 1HG THR 26 8.703 -6.543 7.301
202 HG21 THR 26 1HG2 THR 26 7.061 -3.560 5.169
203 HG22 THR 26 2HG2 THR 26 7.967 -3.139 6.629
204 HG23 THR 26 3HG2 THR 26 6.504 -4.124 6.741
205 H GLU 27 HN GLU 27 4.902 -5.590 4.898
206 HA GLU 27 HA GLU 27 3.951 -6.949 7.242
207 HB2 GLU 27 2HB GLU 27 2.504 -5.320 5.157
208 HB3 GLU 27 1HB GLU 27 1.655 -6.174 6.443
209 HG2 GLU 27 2HG GLU 27 3.078 -4.865 8.064
210 HG3 GLU 27 1HG GLU 27 3.596 -3.898 6.685
211 H GLY 28 HN GLY 28 4.703 -7.993 4.227
212 HA2 GLY 28 2HA GLY 28 4.648 -10.330 3.793
213 HA3 GLY 28 1HA GLY 28 3.176 -10.441 4.739
214 H PHE 29 HN PHE 29 3.083 -7.826 2.626
215 HA PHE 29 HA PHE 29 1.207 -9.275 0.948
216 HB2 PHE 29 2HB PHE 29 1.781 -6.338 1.267
217 HB3 PHE 29 1HB PHE 29 0.606 -6.985 0.123
218 HD1 PHE 29 1HD PHE 29 -1.260 -8.391 1.069
219 HD2 PHE 29 2HD PHE 29 1.179 -5.877 3.458
220 HE1 PHE 29 1HE PHE 29 -2.987 -8.382 2.792
221 HE2 PHE 29 2HE PHE 29 -0.540 -5.853 5.208
222 HZ PHE 29 HZ PHE 29 -2.641 -7.106 4.883
223 HA PRO 30 HA PRO 30 4.048 -9.582 -2.431
224 HB2 PRO 30 2HB PRO 30 2.260 -9.433 -4.531
225 HB3 PRO 30 1HB PRO 30 2.602 -10.895 -3.603
226 HG2 PRO 30 2HG PRO 30 0.325 -8.987 -3.374
227 HG3 PRO 30 1HG PRO 30 0.333 -10.749 -3.194
228 HD2 PRO 30 2HD PRO 30 0.232 -9.063 -1.078
229 HD3 PRO 30 1HD PRO 30 1.037 -10.640 -0.998
230 H GLY 31 HN GLY 31 1.652 -6.946 -2.655
231 HA2 GLY 31 2HA GLY 31 3.757 -5.177 -3.552
232 HA3 GLY 31 1HA GLY 31 2.491 -5.481 -4.735
233 H GLY 32 HN GLY 32 2.577 -2.975 -4.246
234 HA2 GLY 32 2HA GLY 32 0.239 -2.432 -2.680
235 HA3 GLY 32 1HA GLY 32 1.725 -1.678 -2.091
236 H ARG 33 HN ARG 33 -0.507 -0.242 -3.058
237 HA ARG 33 HA ARG 33 0.774 1.253 -5.190
238 HB2 ARG 33 2HB ARG 33 -0.654 -0.540 -6.248
239 HB3 ARG 33 1HB ARG 33 -2.051 0.235 -5.507
240 HG2 ARG 33 2HG ARG 33 -1.901 0.908 -7.803
241 HG3 ARG 33 1HG ARG 33 -1.485 2.289 -6.780
242 HD2 ARG 33 2HD ARG 33 0.886 1.860 -7.130
243 HD3 ARG 33 1HD ARG 33 0.480 0.438 -8.094
244 HE ARG 33 HE ARG 33 -0.597 2.947 -9.001
245 HH11 ARG 33 1HH1 ARG 33 1.995 0.548 -9.277
246 HH12 ARG 33 2HH1 ARG 33 2.521 1.073 -10.805
247 HH21 ARG 33 1HH2 ARG 33 0.145 3.698 -11.109
248 HH22 ARG 33 2HH2 ARG 33 1.447 2.939 -11.869
249 H CYS 34 HN CYS 34 -0.258 3.340 -5.397
250 HA CYS 34 HA CYS 34 -1.375 4.299 -2.930
251 HB2 CYS 34 2HB CYS 34 -0.956 5.723 -5.566
252 HB3 CYS 34 1HB CYS 34 -1.419 6.488 -4.049
253 H ARG 35 HN ARG 35 -3.425 4.380 -2.472
254 HA ARG 35 HA ARG 35 -5.362 4.265 -4.703
255 HB2 ARG 35 2HB ARG 35 -5.093 2.041 -3.585
256 HB3 ARG 35 1HB ARG 35 -5.650 2.773 -2.093
257 HG2 ARG 35 2HG ARG 35 -7.528 1.675 -2.947
258 HG3 ARG 35 1HG ARG 35 -7.780 3.365 -3.378
259 HD2 ARG 35 2HD ARG 35 -6.672 1.232 -5.199
260 HD3 ARG 35 1HD ARG 35 -8.331 1.815 -5.212
261 HE ARG 35 HE ARG 35 -7.124 4.078 -5.683
262 HH11 ARG 35 1HH1 ARG 35 -6.349 0.904 -7.109
263 HH12 ARG 35 2HH1 ARG 35 -5.613 1.571 -8.484
264 HH21 ARG 35 1HH2 ARG 35 -6.116 4.958 -7.651
265 HH22 ARG 35 2HH2 ARG 35 -5.489 3.860 -8.797
266 H GLY 36 HN GLY 36 -4.831 4.946 -1.296
267 HA2 GLY 36 2HA GLY 36 -7.205 6.412 -0.896
268 HA3 GLY 36 1HA GLY 36 -5.762 6.461 0.116
269 H PHE 37 HN PHE 37 -7.662 8.500 -1.151
270 HA PHE 37 HA PHE 37 -6.359 10.057 -3.109
271 HB2 PHE 37 2HB PHE 37 -8.164 11.212 -1.004
272 HB3 PHE 37 1HB PHE 37 -7.985 11.689 -2.688
273 HD1 PHE 37 1HD PHE 37 -8.790 10.031 -4.467
274 HD2 PHE 37 2HD PHE 37 -9.795 9.773 -0.354
275 HE1 PHE 37 1HE PHE 37 -10.717 8.603 -5.030
276 HE2 PHE 37 2HE PHE 37 -11.678 8.376 -0.867
277 HZ PHE 37 HZ PHE 37 -12.179 7.761 -3.232
278 H ARG 38 HN ARG 38 -6.041 9.816 0.271
279 HA ARG 38 HA ARG 38 -4.620 12.291 0.704
280 HB2 ARG 38 2HB ARG 38 -4.976 9.882 2.500
281 HB3 ARG 38 1HB ARG 38 -4.467 11.488 2.998
282 HG2 ARG 38 2HG ARG 38 -6.652 12.399 2.461
283 HG3 ARG 38 1HG ARG 38 -7.177 10.852 1.807
284 HD2 ARG 38 2HD ARG 38 -8.054 11.167 4.042
285 HD3 ARG 38 1HD ARG 38 -6.911 9.827 4.011
286 HE ARG 38 HE ARG 38 -6.058 12.486 4.869
287 HH11 ARG 38 1HH1 ARG 38 -6.525 9.064 5.644
288 HH12 ARG 38 2HH1 ARG 38 -5.873 9.156 7.211
289 HH21 ARG 38 1HH2 ARG 38 -5.173 12.647 7.023
290 HH22 ARG 38 2HH2 ARG 38 -5.063 11.267 8.011
291 H ARG 39 HN ARG 39 -3.734 9.990 -1.100
292 HA ARG 39 HA ARG 39 -1.911 8.951 -1.854
293 HB2 ARG 39 2HB ARG 39 -0.326 10.887 -0.136
294 HB3 ARG 39 1HB ARG 39 0.291 9.955 -1.490
295 HG2 ARG 39 2HG ARG 39 -1.711 12.199 -1.603
296 HG3 ARG 39 1HG ARG 39 -0.042 12.237 -2.169
297 HD2 ARG 39 2HD ARG 39 -0.579 10.536 -3.854
298 HD3 ARG 39 1HD ARG 39 -2.240 10.490 -3.258
299 HE ARG 39 HE ARG 39 -1.290 13.071 -4.084
300 HH11 ARG 39 1HH1 ARG 39 -3.059 10.160 -5.033
301 HH12 ARG 39 2HH1 ARG 39 -3.859 10.895 -6.341
302 HH21 ARG 39 1HH2 ARG 39 -2.369 14.061 -5.895
303 HH22 ARG 39 2HH2 ARG 39 -3.450 13.158 -6.849
304 H ARG 40 HN ARG 40 -2.984 7.400 -0.443
305 HA ARG 40 HA ARG 40 -0.986 6.451 1.444
306 HB2 ARG 40 2HB ARG 40 -3.979 6.243 1.703
307 HB3 ARG 40 1HB ARG 40 -2.876 5.277 2.673
308 HG2 ARG 40 2HG ARG 40 -3.012 8.292 2.616
309 HG3 ARG 40 1HG ARG 40 -3.610 7.246 3.909
310 HD2 ARG 40 2HD ARG 40 -1.364 6.474 4.383
311 HD3 ARG 40 1HD ARG 40 -0.711 7.349 3.014
312 HE ARG 40 HE ARG 40 -1.792 8.560 5.436
313 HH11 ARG 40 1HH1 ARG 40 0.176 8.827 2.487
314 HH12 ARG 40 2HH1 ARG 40 1.129 10.106 3.082
315 HH21 ARG 40 1HH2 ARG 40 -0.473 10.379 6.202
316 HH22 ARG 40 2HH2 ARG 40 0.724 11.016 5.186
317 H CYS 41 HN CYS 41 -0.372 4.490 1.531
318 HA CYS 41 HA CYS 41 -0.470 3.104 -0.960
319 HB2 CYS 41 2HB CYS 41 1.650 3.413 0.222
320 HB3 CYS 41 1HB CYS 41 1.010 2.577 1.627
321 H PHE 42 HN PHE 42 -1.652 1.446 -1.374
322 HA PHE 42 HA PHE 42 -2.898 -0.022 0.807
323 HB2 PHE 42 2HB PHE 42 -3.984 0.662 -1.921
324 HB3 PHE 42 1HB PHE 42 -4.573 -0.683 -0.957
325 HD1 PHE 42 1HD PHE 42 -6.715 -0.166 -0.304
326 HD2 PHE 42 2HD PHE 42 -3.706 2.820 0.048
327 HE1 PHE 42 1HE PHE 42 -8.317 1.304 0.812
328 HE2 PHE 42 2HE PHE 42 -5.313 4.300 1.179
329 HZ PHE 42 HZ PHE 42 -7.614 3.549 1.565
330 H CYS 43 HN CYS 43 -2.138 -1.839 1.014
331 HA CYS 43 HA CYS 43 -0.342 -3.048 -0.772
332 HB2 CYS 43 2HB CYS 43 -1.742 -4.083 1.683
333 HB3 CYS 43 1HB CYS 43 -0.399 -4.880 0.865
334 H THR 44 HN THR 44 -0.722 -4.444 -2.280
335 HA THR 44 HA THR 44 -3.469 -5.090 -2.900
336 HB THR 44 HB THR 44 -0.953 -5.594 -4.505
337 HG1 THR 44 1HG THR 44 -2.057 -3.312 -3.776
338 HG21 THR 44 1HG2 THR 44 -2.972 -6.856 -5.216
339 HG22 THR 44 2HG2 THR 44 -2.526 -5.631 -6.404
340 HG23 THR 44 3HG2 THR 44 -3.873 -5.343 -5.304
341 H THR 45 HN THR 45 -4.156 -6.838 -1.943
342 HA THR 45 HA THR 45 -2.335 -9.089 -1.606
343 HB THR 45 HB THR 45 -3.220 -8.175 0.520
344 HG1 THR 45 1HG THR 45 -4.408 -10.254 1.120
345 HG21 THR 45 1HG2 THR 45 -5.372 -7.291 -0.274
346 HG22 THR 45 2HG2 THR 45 -5.603 -8.385 1.091
347 HG23 THR 45 3HG2 THR 45 -5.943 -8.938 -0.548
348 H HIS 46 HN HIS 46 -3.402 -11.172 -1.833
349 HA HIS 46 HA HIS 46 -5.271 -11.083 -4.082
350 HB2 HIS 46 2HB HIS 46 -3.505 -13.356 -3.145
351 HB3 HIS 46 1HB HIS 46 -4.580 -13.402 -4.535
352 HD1 HIS 46 1HD HIS 46 -1.163 -13.114 -3.846
353 HD2 HIS 46 2HD HIS 46 -3.759 -11.080 -6.369
354 HE1 HIS 46 1HE HIS 46 0.287 -12.082 -5.652
355 H CYS 47 HN CYS 47 -7.277 -11.329 -3.507
356 HA CYS 47 HA CYS 47 -7.978 -12.679 -1.103
357 HB2 CYS 47 2HB CYS 47 -9.625 -11.349 -3.244
358 HB3 CYS 47 1HB CYS 47 -10.348 -12.193 -1.881
Start of MODEL 6
1 H1 ARG 1 1HT ARG 1 -11.671 -9.763 -5.698
2 H2 ARG 1 2HT ARG 1 -12.403 -10.383 -7.055
3 H3 ARG 1 3HT ARG 1 -11.540 -8.933 -7.146
4 HA ARG 1 HA ARG 1 -10.434 -11.601 -6.498
5 HB2 ARG 1 2HB ARG 1 -10.110 -9.917 -9.006
6 HB3 ARG 1 1HB ARG 1 -9.211 -11.385 -8.661
7 HG2 ARG 1 2HG ARG 1 -11.212 -12.699 -8.704
8 HG3 ARG 1 1HG ARG 1 -12.210 -11.262 -8.874
9 HD2 ARG 1 2HD ARG 1 -11.953 -12.422 -10.991
10 HD3 ARG 1 1HD ARG 1 -11.202 -10.828 -11.052
11 HE ARG 1 HE ARG 1 -9.202 -12.539 -10.339
12 HH11 ARG 1 1HH1 ARG 1 -11.468 -12.464 -13.082
13 HH12 ARG 1 2HH1 ARG 1 -10.300 -12.990 -14.202
14 HH21 ARG 1 1HH2 ARG 1 -7.658 -13.282 -11.881
15 HH22 ARG 1 2HH2 ARG 1 -8.114 -13.474 -13.519
16 H THR 2 HN THR 2 -9.298 -8.345 -7.597
17 HA THR 2 HA THR 2 -6.981 -8.680 -5.906
18 HB THR 2 HB THR 2 -6.401 -6.379 -6.848
19 HG1 THR 2 1HG THR 2 -8.712 -6.012 -7.423
20 HG21 THR 2 1HG2 THR 2 -6.895 -8.601 -8.831
21 HG22 THR 2 2HG2 THR 2 -5.472 -8.439 -7.802
22 HG23 THR 2 3HG2 THR 2 -5.789 -7.249 -9.066
23 H CYS 3 HN CYS 3 -6.659 -7.531 -4.016
24 HA CYS 3 HA CYS 3 -8.882 -5.846 -3.160
25 HB2 CYS 3 2HB CYS 3 -7.464 -7.966 -1.522
26 HB3 CYS 3 1HB CYS 3 -8.761 -6.911 -0.963
27 H GLN 4 HN GLN 4 -8.241 -4.126 -1.858
28 HA GLN 4 HA GLN 4 -5.329 -3.716 -1.709
29 HB2 GLN 4 2HB GLN 4 -7.504 -1.618 -1.817
30 HB3 GLN 4 1HB GLN 4 -5.776 -1.325 -1.809
31 HG2 GLN 4 2HG GLN 4 -7.315 -2.699 -3.990
32 HG3 GLN 4 1HG GLN 4 -6.758 -1.033 -4.019
33 HE21 GLN 4 1HE2 GLN 4 -4.120 -1.685 -2.830
34 HE22 GLN 4 2HE2 GLN 4 -3.269 -2.503 -4.085
35 H SER 5 HN SER 5 -4.551 -3.823 0.188
36 HA SER 5 HA SER 5 -6.268 -3.171 2.474
37 HB2 SER 5 2HB SER 5 -3.828 -4.956 2.339
38 HB3 SER 5 1HB SER 5 -4.868 -4.677 3.740
39 HG SER 5 HG SER 5 -5.753 -6.435 2.961
40 H GLN 6 HN GLN 6 -5.645 -1.376 3.567
41 HA GLN 6 HA GLN 6 -3.510 0.122 2.523
42 HB2 GLN 6 2HB GLN 6 -3.972 1.787 4.321
43 HB3 GLN 6 1HB GLN 6 -5.346 1.375 3.317
44 HG2 GLN 6 2HG GLN 6 -6.195 -0.068 5.104
45 HG3 GLN 6 1HG GLN 6 -4.813 0.384 6.110
46 HE21 GLN 6 1HE2 GLN 6 -6.139 1.297 7.672
47 HE22 GLN 6 2HE2 GLN 6 -6.954 2.798 7.416
48 H SER 7 HN SER 7 -1.486 0.353 2.975
49 HA SER 7 HA SER 7 -0.095 -1.379 4.645
50 HB2 SER 7 2HB SER 7 0.815 1.329 3.684
51 HB3 SER 7 1HB SER 7 1.768 -0.152 3.848
52 HG SER 7 HG SER 7 0.862 -0.958 2.030
53 H HIS 8 HN HIS 8 0.019 -1.219 6.889
54 HA HIS 8 HA HIS 8 -1.079 1.238 8.001
55 HB2 HIS 8 2HB HIS 8 -2.027 -1.018 8.657
56 HB3 HIS 8 1HB HIS 8 -0.513 -1.321 9.507
57 HD1 HIS 8 1HD HIS 8 -0.477 -0.539 11.927
58 HD2 HIS 8 2HD HIS 8 -3.394 1.347 9.648
59 HE1 HIS 8 1HE HIS 8 -1.755 0.911 13.527
60 H ARG 9 HN ARG 9 1.793 -0.609 7.790
61 HA ARG 9 HA ARG 9 3.133 0.954 9.842
62 HB2 ARG 9 2HB ARG 9 4.108 -1.213 8.006
63 HB3 ARG 9 1HB ARG 9 5.118 -0.410 9.201
64 HG2 ARG 9 2HG ARG 9 3.626 -1.205 10.941
65 HG3 ARG 9 1HG ARG 9 2.680 -2.096 9.733
66 HD2 ARG 9 2HD ARG 9 4.321 -3.544 10.840
67 HD3 ARG 9 1HD ARG 9 4.670 -3.350 9.119
68 HE ARG 9 HE ARG 9 6.024 -1.658 11.099
69 HH11 ARG 9 1HH1 ARG 9 6.254 -4.178 8.645
70 HH12 ARG 9 2HH1 ARG 9 7.917 -3.968 8.375
71 HH21 ARG 9 1HH2 ARG 9 8.282 -1.372 10.761
72 HH22 ARG 9 2HH2 ARG 9 9.130 -2.336 9.640
73 H PHE 10 HN PHE 10 2.166 1.888 7.065
74 HA PHE 10 HA PHE 10 4.648 2.745 5.833
75 HB2 PHE 10 2HB PHE 10 2.760 1.856 4.484
76 HB3 PHE 10 1HB PHE 10 1.792 3.236 4.984
77 HD1 PHE 10 1HD PHE 10 2.100 5.369 3.976
78 HD2 PHE 10 2HD PHE 10 4.689 2.148 3.018
79 HE1 PHE 10 1HE PHE 10 2.987 6.649 2.092
80 HE2 PHE 10 2HE PHE 10 5.578 3.418 1.142
81 HZ PHE 10 HZ PHE 10 4.733 5.679 0.665
82 H ARG 11 HN ARG 11 5.251 4.825 5.571
83 HA ARG 11 HA ARG 11 3.710 6.944 6.788
84 HB2 ARG 11 2HB ARG 11 5.731 7.861 7.881
85 HB3 ARG 11 1HB ARG 11 5.259 6.312 8.556
86 HG2 ARG 11 2HG ARG 11 6.993 5.215 7.258
87 HG3 ARG 11 1HG ARG 11 7.469 6.763 6.567
88 HD2 ARG 11 2HD ARG 11 8.019 7.590 8.747
89 HD3 ARG 11 1HD ARG 11 7.482 6.078 9.487
90 HE ARG 11 HE ARG 11 9.413 5.461 7.577
91 HH11 ARG 11 1HH1 ARG 11 9.281 7.192 10.647
92 HH12 ARG 11 2HH1 ARG 11 10.874 6.815 11.097
93 HH21 ARG 11 1HH2 ARG 11 11.596 4.981 8.153
94 HH22 ARG 11 2HH2 ARG 11 12.242 5.541 9.634
95 H GLY 12 HN GLY 12 3.912 8.828 5.653
96 HA2 GLY 12 2HA GLY 12 5.090 10.305 4.179
97 HA3 GLY 12 1HA GLY 12 5.927 8.908 3.516
98 HA PRO 13 HA PRO 13 2.308 9.678 0.762
99 HB2 PRO 13 2HB PRO 13 3.577 10.465 -1.459
100 HB3 PRO 13 1HB PRO 13 3.236 11.602 -0.147
101 HG2 PRO 13 2HG PRO 13 5.796 10.294 -0.909
102 HG3 PRO 13 1HG PRO 13 5.512 11.899 -0.221
103 HD2 PRO 13 2HD PRO 13 6.330 9.607 1.196
104 HD3 PRO 13 1HD PRO 13 5.719 11.116 1.900
105 H CYS 14 HN CYS 14 1.563 8.272 -0.873
106 HA CYS 14 HA CYS 14 2.797 5.723 -1.032
107 HB2 CYS 14 2HB CYS 14 0.929 5.234 -2.584
108 HB3 CYS 14 1HB CYS 14 0.408 5.960 -1.064
109 H LEU 15 HN LEU 15 3.489 8.511 -2.661
110 HA LEU 15 HA LEU 15 4.083 7.594 -5.276
111 HB2 LEU 15 2HB LEU 15 5.104 9.959 -3.690
112 HB3 LEU 15 1HB LEU 15 5.609 9.647 -5.330
113 HG LEU 15 HG LEU 15 3.244 9.956 -6.082
114 HD11 LEU 15 1HD1 LEU 15 1.608 10.978 -4.623
115 HD12 LEU 15 2HD1 LEU 15 2.723 10.892 -3.268
116 HD13 LEU 15 3HD1 LEU 15 2.089 9.405 -3.981
117 HD21 LEU 15 1HD2 LEU 15 4.843 11.784 -6.187
118 HD22 LEU 15 2HD2 LEU 15 4.419 12.260 -4.543
119 HD23 LEU 15 3HD2 LEU 15 3.223 12.378 -5.831
120 H ARG 16 HN ARG 16 5.535 7.174 -2.266
121 HA ARG 16 HA ARG 16 8.175 6.568 -3.245
122 HB2 ARG 16 2HB ARG 16 6.881 6.267 -0.532
123 HB3 ARG 16 1HB ARG 16 8.570 5.923 -0.879
124 HG2 ARG 16 2HG ARG 16 7.298 8.616 -1.276
125 HG3 ARG 16 1HG ARG 16 8.138 8.128 0.196
126 HD2 ARG 16 2HD ARG 16 9.371 8.151 -2.561
127 HD3 ARG 16 1HD ARG 16 9.559 9.434 -1.371
128 HE ARG 16 HE ARG 16 10.302 6.804 -0.441
129 HH11 ARG 16 1HH1 ARG 16 11.428 9.736 -2.023
130 HH12 ARG 16 2HH1 ARG 16 13.055 9.557 -1.539
131 HH21 ARG 16 1HH2 ARG 16 12.531 6.507 0.174
132 HH22 ARG 16 2HH2 ARG 16 13.691 7.680 -0.259
133 H ARG 17 HN ARG 17 7.905 4.907 -4.625
134 HA ARG 17 HA ARG 17 6.216 2.666 -4.262
135 HB2 ARG 17 2HB ARG 17 8.656 2.877 -6.032
136 HB3 ARG 17 1HB ARG 17 7.369 1.692 -6.176
137 HG2 ARG 17 2HG ARG 17 5.789 3.550 -6.639
138 HG3 ARG 17 1HG ARG 17 7.159 4.657 -6.627
139 HD2 ARG 17 2HD ARG 17 6.768 2.320 -8.491
140 HD3 ARG 17 1HD ARG 17 6.564 4.018 -8.898
141 HE ARG 17 HE ARG 17 9.172 3.633 -7.932
142 HH11 ARG 17 1HH1 ARG 17 7.185 2.830 -10.743
143 HH12 ARG 17 2HH1 ARG 17 8.514 2.720 -11.816
144 HH21 ARG 17 1HH2 ARG 17 11.009 3.427 -9.429
145 HH22 ARG 17 2HH2 ARG 17 10.683 3.061 -11.056
146 H SER 18 HN SER 18 9.685 3.159 -3.782
147 HA SER 18 HA SER 18 10.386 0.570 -3.047
148 HB2 SER 18 2HB SER 18 11.581 3.169 -2.067
149 HB3 SER 18 1HB SER 18 12.390 1.601 -2.167
150 HG SER 18 HG SER 18 12.128 1.654 -4.380
151 H ASN 19 HN ASN 19 9.143 3.266 -1.174
152 HA ASN 19 HA ASN 19 9.372 2.057 1.385
153 HB2 ASN 19 2HB ASN 19 7.723 4.364 0.360
154 HB3 ASN 19 1HB ASN 19 7.697 3.857 2.038
155 HD21 ASN 19 1HD2 ASN 19 9.355 4.453 3.351
156 HD22 ASN 19 2HD2 ASN 19 10.685 5.424 2.848
157 H CYS 20 HN CYS 20 6.683 2.478 -0.895
158 HA CYS 20 HA CYS 20 4.716 1.154 0.535
159 HB2 CYS 20 2HB CYS 20 5.155 1.600 -2.389
160 HB3 CYS 20 1HB CYS 20 3.845 0.561 -1.855
161 H ALA 21 HN ALA 21 6.945 -0.199 -1.869
162 HA ALA 21 HA ALA 21 5.973 -2.807 -1.640
163 HB1 ALA 21 1HB ALA 21 8.710 -1.886 -2.497
164 HB2 ALA 21 2HB ALA 21 7.304 -2.057 -3.548
165 HB3 ALA 21 3HB ALA 21 8.021 -3.481 -2.793
166 H ASN 22 HN ASN 22 8.662 -1.151 0.005
167 HA ASN 22 HA ASN 22 9.601 -3.377 1.426
168 HB2 ASN 22 2HB ASN 22 10.956 -1.361 1.328
169 HB3 ASN 22 1HB ASN 22 9.721 -0.442 2.179
170 HD21 ASN 22 1HD2 ASN 22 9.683 -0.480 4.381
171 HD22 ASN 22 2HD2 ASN 22 10.769 -1.381 5.364
172 H VAL 23 HN VAL 23 7.237 -0.931 2.453
173 HA VAL 23 HA VAL 23 6.742 -2.123 4.948
174 HB VAL 23 HB VAL 23 5.056 -0.222 3.292
175 HG11 VAL 23 1HG1 VAL 23 4.565 -1.222 6.097
176 HG12 VAL 23 2HG1 VAL 23 3.532 -1.524 4.701
177 HG13 VAL 23 3HG1 VAL 23 3.699 0.113 5.342
178 HG21 VAL 23 1HG2 VAL 23 6.608 0.145 5.842
179 HG22 VAL 23 2HG2 VAL 23 5.755 1.399 4.935
180 HG23 VAL 23 3HG2 VAL 23 7.165 0.604 4.233
181 H CYS 24 HN CYS 24 4.952 -2.370 1.892
182 HA CYS 24 HA CYS 24 3.027 -4.117 2.871
183 HB2 CYS 24 2HB CYS 24 4.074 -3.621 0.108
184 HB3 CYS 24 1HB CYS 24 2.742 -4.725 0.387
185 H ARG 25 HN ARG 25 6.184 -4.805 1.439
186 HA ARG 25 HA ARG 25 5.755 -7.589 1.330
187 HB2 ARG 25 2HB ARG 25 7.364 -6.294 -0.048
188 HB3 ARG 25 1HB ARG 25 8.354 -6.085 1.379
189 HG2 ARG 25 2HG ARG 25 8.966 -8.339 1.418
190 HG3 ARG 25 1HG ARG 25 7.641 -8.802 0.335
191 HD2 ARG 25 2HD ARG 25 9.991 -7.062 -0.388
192 HD3 ARG 25 1HD ARG 25 9.740 -8.739 -0.901
193 HE ARG 25 HE ARG 25 7.515 -7.701 -1.774
194 HH11 ARG 25 1HH1 ARG 25 10.782 -6.440 -2.194
195 HH12 ARG 25 2HH1 ARG 25 10.402 -5.458 -3.520
196 HH21 ARG 25 1HH2 ARG 25 6.952 -6.326 -3.513
197 HH22 ARG 25 2HH2 ARG 25 8.140 -5.384 -4.309
198 H THR 26 HN THR 26 7.100 -5.440 3.780
199 HA THR 26 HA THR 26 7.862 -7.664 5.390
200 HB THR 26 HB THR 26 8.223 -5.931 7.209
201 HG1 THR 26 1HG THR 26 7.848 -4.029 5.147
202 HG21 THR 26 1HG2 THR 26 10.049 -6.637 5.730
203 HG22 THR 26 2HG2 THR 26 10.177 -4.918 6.133
204 HG23 THR 26 3HG2 THR 26 9.557 -5.406 4.560
205 H GLU 27 HN GLU 27 4.939 -5.891 4.905
206 HA GLU 27 HA GLU 27 3.776 -6.974 7.299
207 HB2 GLU 27 2HB GLU 27 2.500 -5.354 5.081
208 HB3 GLU 27 1HB GLU 27 1.612 -5.970 6.465
209 HG2 GLU 27 2HG GLU 27 3.528 -4.636 7.766
210 HG3 GLU 27 1HG GLU 27 3.519 -3.715 6.265
211 H GLY 28 HN GLY 28 4.429 -8.246 4.320
212 HA2 GLY 28 2HA GLY 28 4.060 -10.618 4.038
213 HA3 GLY 28 1HA GLY 28 2.517 -10.437 4.854
214 H PHE 29 HN PHE 29 3.234 -8.033 2.571
215 HA PHE 29 HA PHE 29 1.338 -9.226 0.690
216 HB2 PHE 29 2HB PHE 29 2.024 -6.358 1.304
217 HB3 PHE 29 1HB PHE 29 0.941 -6.853 0.004
218 HD1 PHE 29 1HD PHE 29 -1.064 -8.216 0.660
219 HD2 PHE 29 2HD PHE 29 1.229 -5.999 3.442
220 HE1 PHE 29 1HE PHE 29 -2.949 -8.218 2.177
221 HE2 PHE 29 2HE PHE 29 -0.658 -5.993 5.016
222 HZ PHE 29 HZ PHE 29 -2.770 -7.105 4.395
223 HA PRO 30 HA PRO 30 4.477 -9.013 -2.509
224 HB2 PRO 30 2HB PRO 30 2.600 -7.840 -4.436
225 HB3 PRO 30 1HB PRO 30 3.360 -9.430 -4.457
226 HG2 PRO 30 2HG PRO 30 0.739 -9.115 -3.961
227 HG3 PRO 30 1HG PRO 30 1.690 -10.387 -3.171
228 HD2 PRO 30 2HD PRO 30 0.815 -7.726 -2.102
229 HD3 PRO 30 1HD PRO 30 0.802 -9.306 -1.302
230 H GLY 31 HN GLY 31 2.333 -6.161 -2.976
231 HA2 GLY 31 2HA GLY 31 4.529 -4.362 -2.537
232 HA3 GLY 31 1HA GLY 31 3.966 -4.430 -4.205
233 H GLY 32 HN GLY 32 3.698 -2.046 -3.167
234 HA2 GLY 32 2HA GLY 32 0.852 -1.859 -2.571
235 HA3 GLY 32 1HA GLY 32 2.019 -1.032 -1.529
236 H ARG 33 HN ARG 33 -0.025 0.240 -2.993
237 HA ARG 33 HA ARG 33 1.575 2.061 -4.550
238 HB2 ARG 33 2HB ARG 33 0.921 0.149 -6.093
239 HB3 ARG 33 1HB ARG 33 -0.747 0.640 -5.876
240 HG2 ARG 33 2HG ARG 33 0.181 1.451 -7.973
241 HG3 ARG 33 1HG ARG 33 -0.266 2.788 -6.909
242 HD2 ARG 33 2HD ARG 33 2.056 3.063 -6.238
243 HD3 ARG 33 1HD ARG 33 2.526 1.674 -7.220
244 HE ARG 33 HE ARG 33 1.480 3.141 -9.063
245 HH11 ARG 33 1HH1 ARG 33 3.450 4.380 -6.352
246 HH12 ARG 33 2HH1 ARG 33 4.182 5.586 -7.309
247 HH21 ARG 33 1HH2 ARG 33 2.523 4.811 -10.318
248 HH22 ARG 33 2HH2 ARG 33 3.652 5.842 -9.593
249 H CYS 34 HN CYS 34 0.139 3.943 -5.321
250 HA CYS 34 HA CYS 34 -1.389 5.038 -3.276
251 HB2 CYS 34 2HB CYS 34 -1.264 5.726 -6.210
252 HB3 CYS 34 1HB CYS 34 -2.071 6.709 -4.992
253 H ARG 35 HN ARG 35 -3.345 4.716 -2.690
254 HA ARG 35 HA ARG 35 -5.411 4.104 -4.624
255 HB2 ARG 35 2HB ARG 35 -4.677 1.859 -4.013
256 HB3 ARG 35 1HB ARG 35 -4.823 2.268 -2.308
257 HG2 ARG 35 2HG ARG 35 -6.684 0.885 -3.024
258 HG3 ARG 35 1HG ARG 35 -7.231 2.488 -2.545
259 HD2 ARG 35 2HD ARG 35 -8.411 1.940 -4.499
260 HD3 ARG 35 1HD ARG 35 -7.198 3.115 -4.979
261 HE ARG 35 HE ARG 35 -6.986 0.212 -5.430
262 HH11 ARG 35 1HH1 ARG 35 -6.258 3.525 -6.524
263 HH12 ARG 35 2HH1 ARG 35 -5.659 3.040 -8.037
264 HH21 ARG 35 1HH2 ARG 35 -6.174 -0.432 -7.540
265 HH22 ARG 35 2HH2 ARG 35 -5.630 0.749 -8.636
266 H GLY 36 HN GLY 36 -4.462 4.880 -1.337
267 HA2 GLY 36 2HA GLY 36 -7.009 5.377 -0.312
268 HA3 GLY 36 1HA GLY 36 -5.490 6.020 0.298
269 H PHE 37 HN PHE 37 -8.168 7.176 -0.081
270 HA PHE 37 HA PHE 37 -8.217 9.073 -2.171
271 HB2 PHE 37 2HB PHE 37 -9.475 9.477 0.537
272 HB3 PHE 37 1HB PHE 37 -10.062 10.021 -1.030
273 HD1 PHE 37 1HD PHE 37 -10.068 7.418 1.415
274 HD2 PHE 37 2HD PHE 37 -10.955 8.303 -2.647
275 HE1 PHE 37 1HE PHE 37 -11.409 5.422 1.304
276 HE2 PHE 37 2HE PHE 37 -12.332 6.274 -2.785
277 HZ PHE 37 HZ PHE 37 -12.570 4.817 -0.808
278 H ARG 38 HN ARG 38 -6.759 8.910 0.918
279 HA ARG 38 HA ARG 38 -6.033 11.738 1.050
280 HB2 ARG 38 2HB ARG 38 -5.368 9.456 2.927
281 HB3 ARG 38 1HB ARG 38 -5.208 11.171 3.267
282 HG2 ARG 38 2HG ARG 38 -7.815 9.740 2.760
283 HG3 ARG 38 1HG ARG 38 -7.168 10.118 4.351
284 HD2 ARG 38 2HD ARG 38 -7.295 12.482 3.885
285 HD3 ARG 38 1HD ARG 38 -7.798 12.164 2.224
286 HE ARG 38 HE ARG 38 -9.660 10.885 3.599
287 HH11 ARG 38 1HH1 ARG 38 -8.376 14.127 4.134
288 HH12 ARG 38 2HH1 ARG 38 -9.862 14.806 4.602
289 HH21 ARG 38 1HH2 ARG 38 -11.713 11.794 4.246
290 HH22 ARG 38 2HH2 ARG 38 -11.826 13.426 4.683
291 H ARG 39 HN ARG 39 -4.990 9.635 -0.949
292 HA ARG 39 HA ARG 39 -3.133 8.989 -1.993
293 HB2 ARG 39 2HB ARG 39 -1.998 11.416 -0.591
294 HB3 ARG 39 1HB ARG 39 -1.104 10.497 -1.797
295 HG2 ARG 39 2HG ARG 39 -2.763 11.007 -3.477
296 HG3 ARG 39 1HG ARG 39 -3.756 11.829 -2.273
297 HD2 ARG 39 2HD ARG 39 -0.984 12.661 -3.108
298 HD3 ARG 39 1HD ARG 39 -2.487 13.384 -3.682
299 HE ARG 39 HE ARG 39 -1.936 13.329 -0.821
300 HH11 ARG 39 1HH1 ARG 39 -2.307 15.224 -3.770
301 HH12 ARG 39 2HH1 ARG 39 -2.390 16.719 -2.980
302 HH21 ARG 39 1HH2 ARG 39 -2.054 15.353 0.280
303 HH22 ARG 39 2HH2 ARG 39 -2.235 16.804 -0.581
304 H ARG 40 HN ARG 40 -3.769 7.572 0.055
305 HA ARG 40 HA ARG 40 -1.345 7.043 1.571
306 HB2 ARG 40 2HB ARG 40 -4.166 6.046 1.934
307 HB3 ARG 40 1HB ARG 40 -2.803 5.383 2.817
308 HG2 ARG 40 2HG ARG 40 -2.361 7.647 3.724
309 HG3 ARG 40 1HG ARG 40 -3.827 8.206 2.920
310 HD2 ARG 40 2HD ARG 40 -4.244 7.670 5.281
311 HD3 ARG 40 1HD ARG 40 -5.153 6.608 4.208
312 HE ARG 40 HE ARG 40 -2.729 5.361 4.802
313 HH11 ARG 40 1HH1 ARG 40 -5.700 6.284 6.503
314 HH12 ARG 40 2HH1 ARG 40 -5.600 5.044 7.637
315 HH21 ARG 40 1HH2 ARG 40 -2.570 3.685 6.404
316 HH22 ARG 40 2HH2 ARG 40 -3.773 3.576 7.626
317 H CYS 41 HN CYS 41 -0.541 4.935 1.700
318 HA CYS 41 HA CYS 41 -0.639 3.673 -0.895
319 HB2 CYS 41 2HB CYS 41 1.528 4.221 0.237
320 HB3 CYS 41 1HB CYS 41 1.130 3.027 1.467
321 H PHE 42 HN PHE 42 -1.486 1.732 -1.299
322 HA PHE 42 HA PHE 42 -2.434 0.115 0.946
323 HB2 PHE 42 2HB PHE 42 -3.804 0.694 -1.680
324 HB3 PHE 42 1HB PHE 42 -4.156 -0.734 -0.733
325 HD1 PHE 42 1HD PHE 42 -3.749 2.873 0.207
326 HD2 PHE 42 2HD PHE 42 -6.244 -0.571 0.189
327 HE1 PHE 42 1HE PHE 42 -5.486 4.110 1.433
328 HE2 PHE 42 2HE PHE 42 -7.967 0.655 1.396
329 HZ PHE 42 HZ PHE 42 -7.599 2.999 2.037
330 H CYS 43 HN CYS 43 -1.988 -1.955 0.821
331 HA CYS 43 HA CYS 43 -0.048 -2.821 -1.096
332 HB2 CYS 43 2HB CYS 43 -1.421 -4.280 1.159
333 HB3 CYS 43 1HB CYS 43 0.006 -4.822 0.280
334 H THR 44 HN THR 44 -0.499 -4.015 -2.821
335 HA THR 44 HA THR 44 -3.257 -4.587 -3.437
336 HB THR 44 HB THR 44 -0.789 -5.159 -5.101
337 HG1 THR 44 1HG THR 44 -0.595 -3.065 -5.229
338 HG21 THR 44 1HG2 THR 44 -3.672 -4.597 -5.836
339 HG22 THR 44 2HG2 THR 44 -2.917 -6.188 -5.836
340 HG23 THR 44 3HG2 THR 44 -2.363 -4.945 -6.965
341 H THR 45 HN THR 45 -4.076 -6.468 -2.741
342 HA THR 45 HA THR 45 -2.290 -8.762 -2.632
343 HB THR 45 HB THR 45 -2.714 -7.837 -0.352
344 HG1 THR 45 1HG THR 45 -3.653 -9.903 0.506
345 HG21 THR 45 1HG2 THR 45 -5.586 -8.619 -0.856
346 HG22 THR 45 2HG2 THR 45 -4.988 -6.967 -0.732
347 HG23 THR 45 3HG2 THR 45 -4.935 -8.029 0.674
348 H HIS 46 HN HIS 46 -3.686 -10.820 -2.464
349 HA HIS 46 HA HIS 46 -5.941 -10.546 -4.312
350 HB2 HIS 46 2HB HIS 46 -5.506 -12.867 -5.042
351 HB3 HIS 46 1HB HIS 46 -4.090 -11.862 -5.298
352 HD1 HIS 46 1HD HIS 46 -5.275 -14.896 -3.468
353 HD2 HIS 46 2HD HIS 46 -1.881 -12.511 -3.647
354 HE1 HIS 46 1HE HIS 46 -3.461 -16.167 -2.265
355 H CYS 47 HN CYS 47 -7.855 -11.598 -3.784
356 HA CYS 47 HA CYS 47 -7.905 -12.586 -1.066
357 HB2 CYS 47 2HB CYS 47 -10.085 -11.446 -2.809
358 HB3 CYS 47 1HB CYS 47 -10.424 -12.257 -1.280
Start of MODEL 7
1 H1 ARG 1 1HT ARG 1 -8.081 -12.858 -6.754
2 H2 ARG 1 2HT ARG 1 -9.683 -13.102 -7.179
3 H3 ARG 1 3HT ARG 1 -9.296 -12.578 -5.630
4 HA ARG 1 HA ARG 1 -8.825 -11.107 -8.184
5 HB2 ARG 1 2HB ARG 1 -10.500 -9.511 -7.393
6 HB3 ARG 1 1HB ARG 1 -11.209 -11.115 -7.484
7 HG2 ARG 1 2HG ARG 1 -11.046 -11.370 -5.105
8 HG3 ARG 1 1HG ARG 1 -10.151 -9.863 -4.966
9 HD2 ARG 1 2HD ARG 1 -12.453 -9.523 -4.320
10 HD3 ARG 1 1HD ARG 1 -12.082 -8.634 -5.792
11 HE ARG 1 HE ARG 1 -13.211 -11.198 -6.317
12 HH11 ARG 1 1HH1 ARG 1 -14.035 -7.892 -5.374
13 HH12 ARG 1 2HH1 ARG 1 -15.602 -7.932 -6.040
14 HH21 ARG 1 1HH2 ARG 1 -15.414 -11.245 -7.222
15 HH22 ARG 1 2HH2 ARG 1 -16.385 -9.841 -7.120
16 H THR 2 HN THR 2 -8.223 -8.781 -7.698
17 HA THR 2 HA THR 2 -6.208 -8.750 -5.675
18 HB THR 2 HB THR 2 -5.899 -6.405 -6.733
19 HG1 THR 2 1HG THR 2 -6.857 -6.180 -8.744
20 HG21 THR 2 1HG2 THR 2 -4.391 -8.308 -7.118
21 HG22 THR 2 2HG2 THR 2 -4.641 -7.392 -8.604
22 HG23 THR 2 3HG2 THR 2 -5.484 -8.923 -8.357
23 H CYS 3 HN CYS 3 -6.468 -7.881 -3.768
24 HA CYS 3 HA CYS 3 -8.691 -6.031 -3.314
25 HB2 CYS 3 2HB CYS 3 -7.537 -8.146 -1.484
26 HB3 CYS 3 1HB CYS 3 -8.755 -6.964 -0.993
27 H GLN 4 HN GLN 4 -8.104 -4.178 -2.391
28 HA GLN 4 HA GLN 4 -5.294 -3.966 -1.662
29 HB2 GLN 4 2HB GLN 4 -7.171 -1.836 -2.699
30 HB3 GLN 4 1HB GLN 4 -5.537 -1.510 -2.130
31 HG2 GLN 4 2HG GLN 4 -4.659 -3.001 -3.820
32 HG3 GLN 4 1HG GLN 4 -6.290 -3.306 -4.424
33 HE21 GLN 4 1HE2 GLN 4 -5.919 -2.516 -6.450
34 HE22 GLN 4 2HE2 GLN 4 -5.597 -0.863 -6.804
35 H SER 5 HN SER 5 -4.770 -3.510 0.289
36 HA SER 5 HA SER 5 -6.788 -2.498 2.153
37 HB2 SER 5 2HB SER 5 -6.281 -5.041 2.277
38 HB3 SER 5 1HB SER 5 -4.662 -4.579 2.778
39 HG SER 5 HG SER 5 -7.016 -4.587 4.139
40 H GLN 6 HN GLN 6 -5.800 -0.928 3.563
41 HA GLN 6 HA GLN 6 -3.522 0.351 2.440
42 HB2 GLN 6 2HB GLN 6 -3.597 1.923 4.245
43 HB3 GLN 6 1HB GLN 6 -5.254 1.565 3.775
44 HG2 GLN 6 2HG GLN 6 -5.663 0.329 5.694
45 HG3 GLN 6 1HG GLN 6 -3.948 0.081 6.010
46 HE21 GLN 6 1HE2 GLN 6 -2.737 1.810 6.873
47 HE22 GLN 6 2HE2 GLN 6 -3.515 3.087 7.721
48 H SER 7 HN SER 7 -1.452 0.674 3.360
49 HA SER 7 HA SER 7 -0.436 -1.537 4.860
50 HB2 SER 7 2HB SER 7 0.911 -0.388 3.101
51 HB3 SER 7 1HB SER 7 0.883 1.083 4.073
52 HG SER 7 HG SER 7 1.863 -1.407 4.964
53 H HIS 8 HN HIS 8 0.076 -1.477 7.079
54 HA HIS 8 HA HIS 8 -1.286 0.725 8.432
55 HB2 HIS 8 2HB HIS 8 -2.072 -1.557 8.966
56 HB3 HIS 8 1HB HIS 8 -0.466 -1.965 9.557
57 HD1 HIS 8 1HD HIS 8 -0.182 -1.676 12.041
58 HD2 HIS 8 2HD HIS 8 -3.213 0.696 10.502
59 HE1 HIS 8 1HE HIS 8 -1.240 -0.567 14.022
60 H ARG 9 HN ARG 9 1.775 -0.972 8.353
61 HA ARG 9 HA ARG 9 2.833 0.861 10.369
62 HB2 ARG 9 2HB ARG 9 4.817 -0.502 10.414
63 HB3 ARG 9 1HB ARG 9 3.416 -1.558 10.460
64 HG2 ARG 9 2HG ARG 9 3.705 -1.930 8.027
65 HG3 ARG 9 1HG ARG 9 5.196 -0.992 8.121
66 HD2 ARG 9 2HD ARG 9 5.699 -3.345 8.225
67 HD3 ARG 9 1HD ARG 9 6.059 -2.595 9.789
68 HE ARG 9 HE ARG 9 3.456 -3.546 9.850
69 HH11 ARG 9 1HH1 ARG 9 6.744 -4.850 9.705
70 HH12 ARG 9 2HH1 ARG 9 6.299 -6.357 10.360
71 HH21 ARG 9 1HH2 ARG 9 2.866 -5.631 10.706
72 HH22 ARG 9 2HH2 ARG 9 4.059 -6.824 10.920
73 H PHE 10 HN PHE 10 2.108 1.523 7.490
74 HA PHE 10 HA PHE 10 4.615 2.322 6.339
75 HB2 PHE 10 2HB PHE 10 2.691 1.608 4.933
76 HB3 PHE 10 1HB PHE 10 1.815 3.047 5.448
77 HD1 PHE 10 1HD PHE 10 2.106 5.071 4.281
78 HD2 PHE 10 2HD PHE 10 4.878 1.913 3.728
79 HE1 PHE 10 1HE PHE 10 3.176 6.324 2.463
80 HE2 PHE 10 2HE PHE 10 5.955 3.158 1.911
81 HZ PHE 10 HZ PHE 10 5.097 5.374 1.272
82 H ARG 11 HN ARG 11 5.232 4.379 5.924
83 HA ARG 11 HA ARG 11 4.024 6.495 7.430
84 HB2 ARG 11 2HB ARG 11 6.376 7.123 8.198
85 HB3 ARG 11 1HB ARG 11 5.579 5.789 9.022
86 HG2 ARG 11 2HG ARG 11 6.840 4.255 7.454
87 HG3 ARG 11 1HG ARG 11 7.786 5.673 6.995
88 HD2 ARG 11 2HD ARG 11 7.378 4.766 9.792
89 HD3 ARG 11 1HD ARG 11 8.764 4.243 8.821
90 HE ARG 11 HE ARG 11 8.974 6.866 8.647
91 HH11 ARG 11 1HH1 ARG 11 8.322 4.902 11.535
92 HH12 ARG 11 2HH1 ARG 11 9.097 5.979 12.594
93 HH21 ARG 11 1HH2 ARG 11 10.061 8.307 10.103
94 HH22 ARG 11 2HH2 ARG 11 10.122 7.938 11.766
95 H GLY 12 HN GLY 12 4.004 8.290 6.234
96 HA2 GLY 12 2HA GLY 12 5.039 9.883 4.811
97 HA3 GLY 12 1HA GLY 12 5.911 8.569 4.033
98 HA PRO 13 HA PRO 13 2.193 9.228 1.426
99 HB2 PRO 13 2HB PRO 13 3.363 10.226 -0.771
100 HB3 PRO 13 1HB PRO 13 2.951 11.259 0.602
101 HG2 PRO 13 2HG PRO 13 5.600 10.254 -0.282
102 HG3 PRO 13 1HG PRO 13 5.194 11.747 0.576
103 HD2 PRO 13 2HD PRO 13 6.202 9.340 1.710
104 HD3 PRO 13 1HD PRO 13 5.607 10.762 2.583
105 H CYS 14 HN CYS 14 1.497 7.790 -0.196
106 HA CYS 14 HA CYS 14 2.945 5.387 -0.518
107 HB2 CYS 14 2HB CYS 14 1.132 4.748 -2.029
108 HB3 CYS 14 1HB CYS 14 0.507 5.491 -0.557
109 H LEU 15 HN LEU 15 3.079 8.319 -2.144
110 HA LEU 15 HA LEU 15 3.633 7.607 -4.789
111 HB2 LEU 15 2HB LEU 15 4.528 10.024 -3.220
112 HB3 LEU 15 1HB LEU 15 4.878 9.817 -4.918
113 HG LEU 15 HG LEU 15 3.053 11.319 -4.727
114 HD11 LEU 15 1HD1 LEU 15 1.296 10.228 -5.981
115 HD12 LEU 15 2HD1 LEU 15 1.979 8.655 -5.589
116 HD13 LEU 15 3HD1 LEU 15 2.898 9.794 -6.576
117 HD21 LEU 15 1HD2 LEU 15 2.256 10.786 -2.494
118 HD22 LEU 15 2HD2 LEU 15 1.623 9.243 -3.066
119 HD23 LEU 15 3HD2 LEU 15 0.920 10.753 -3.644
120 H ARG 16 HN ARG 16 5.558 7.359 -1.989
121 HA ARG 16 HA ARG 16 7.989 6.928 -3.472
122 HB2 ARG 16 2HB ARG 16 7.711 7.812 -1.017
123 HB3 ARG 16 1HB ARG 16 7.470 6.120 -0.608
124 HG2 ARG 16 2HG ARG 16 9.742 6.668 -0.190
125 HG3 ARG 16 1HG ARG 16 9.691 5.639 -1.623
126 HD2 ARG 16 2HD ARG 16 11.227 7.498 -1.947
127 HD3 ARG 16 1HD ARG 16 9.860 7.638 -3.051
128 HE ARG 16 HE ARG 16 9.556 9.033 -0.557
129 HH11 ARG 16 1HH1 ARG 16 10.646 9.316 -3.898
130 HH12 ARG 16 2HH1 ARG 16 10.604 11.017 -3.922
131 HH21 ARG 16 1HH2 ARG 16 9.467 11.358 -0.576
132 HH22 ARG 16 2HH2 ARG 16 9.962 12.210 -1.969
133 H ARG 17 HN ARG 17 7.012 5.387 -4.862
134 HA ARG 17 HA ARG 17 5.375 3.265 -4.176
135 HB2 ARG 17 2HB ARG 17 7.111 3.596 -6.597
136 HB3 ARG 17 1HB ARG 17 5.928 2.313 -6.406
137 HG2 ARG 17 2HG ARG 17 4.129 3.890 -6.304
138 HG3 ARG 17 1HG ARG 17 5.262 5.244 -6.288
139 HD2 ARG 17 2HD ARG 17 4.316 4.950 -8.517
140 HD3 ARG 17 1HD ARG 17 6.042 4.623 -8.499
141 HE ARG 17 HE ARG 17 4.491 2.251 -8.178
142 HH11 ARG 17 1HH1 ARG 17 5.811 4.490 -10.606
143 HH12 ARG 17 2HH1 ARG 17 5.756 3.356 -11.868
144 HH21 ARG 17 1HH2 ARG 17 4.459 0.713 -9.897
145 HH22 ARG 17 2HH2 ARG 17 4.971 1.114 -11.465
146 H SER 18 HN SER 18 8.906 3.085 -4.696
147 HA SER 18 HA SER 18 8.996 0.307 -4.335
148 HB2 SER 18 2HB SER 18 10.869 1.638 -5.345
149 HB3 SER 18 1HB SER 18 11.215 2.288 -3.744
150 HG SER 18 HG SER 18 11.071 -0.454 -3.885
151 H ASN 19 HN ASN 19 9.018 2.967 -2.064
152 HA ASN 19 HA ASN 19 9.651 1.289 0.162
153 HB2 ASN 19 2HB ASN 19 8.751 4.158 -0.010
154 HB3 ASN 19 1HB ASN 19 8.960 3.330 1.532
155 HD21 ASN 19 1HD2 ASN 19 10.987 2.892 2.260
156 HD22 ASN 19 2HD2 ASN 19 12.423 3.486 1.524
157 H CYS 20 HN CYS 20 6.741 2.600 -1.246
158 HA CYS 20 HA CYS 20 4.884 1.735 0.673
159 HB2 CYS 20 2HB CYS 20 4.343 3.285 -1.195
160 HB3 CYS 20 1HB CYS 20 4.594 1.989 -2.346
161 H ALA 21 HN ALA 21 6.211 0.107 -2.198
162 HA ALA 21 HA ALA 21 4.871 -2.354 -1.826
163 HB1 ALA 21 1HB ALA 21 7.497 -1.827 -3.220
164 HB2 ALA 21 2HB ALA 21 5.904 -1.672 -3.955
165 HB3 ALA 21 3HB ALA 21 6.477 -3.254 -3.421
166 H ASN 22 HN ASN 22 8.045 -1.170 -0.852
167 HA ASN 22 HA ASN 22 9.082 -3.438 0.355
168 HB2 ASN 22 2HB ASN 22 10.499 -1.512 0.001
169 HB3 ASN 22 1HB ASN 22 9.465 -0.527 1.021
170 HD21 ASN 22 1HD2 ASN 22 11.827 -3.101 1.015
171 HD22 ASN 22 2HD2 ASN 22 12.280 -2.926 2.672
172 H VAL 23 HN VAL 23 7.181 -0.845 1.877
173 HA VAL 23 HA VAL 23 7.224 -2.078 4.397
174 HB VAL 23 HB VAL 23 5.316 0.011 3.324
175 HG11 VAL 23 1HG1 VAL 23 4.333 -1.200 5.221
176 HG12 VAL 23 2HG1 VAL 23 4.777 0.440 5.695
177 HG13 VAL 23 3HG1 VAL 23 5.802 -0.923 6.153
178 HG21 VAL 23 1HG2 VAL 23 6.706 1.555 4.674
179 HG22 VAL 23 2HG2 VAL 23 7.619 0.757 3.396
180 HG23 VAL 23 3HG2 VAL 23 7.776 0.207 5.063
181 H CYS 24 HN CYS 24 4.723 -2.083 1.855
182 HA CYS 24 HA CYS 24 2.953 -3.766 3.169
183 HB2 CYS 24 2HB CYS 24 3.556 -3.415 0.239
184 HB3 CYS 24 1HB CYS 24 2.266 -4.465 0.797
185 H ARG 25 HN ARG 25 5.844 -4.548 1.317
186 HA ARG 25 HA ARG 25 5.434 -7.337 1.402
187 HB2 ARG 25 2HB ARG 25 6.840 -6.185 -0.275
188 HB3 ARG 25 1HB ARG 25 7.996 -5.800 0.987
189 HG2 ARG 25 2HG ARG 25 8.576 -8.094 1.256
190 HG3 ARG 25 1HG ARG 25 7.244 -8.606 0.215
191 HD2 ARG 25 2HD ARG 25 9.584 -6.916 -0.642
192 HD3 ARG 25 1HD ARG 25 9.392 -8.642 -0.964
193 HE ARG 25 HE ARG 25 7.224 -7.878 -2.086
194 HH11 ARG 25 1HH1 ARG 25 10.214 -5.988 -2.146
195 HH12 ARG 25 2HH1 ARG 25 9.892 -5.275 -3.650
196 HH21 ARG 25 1HH2 ARG 25 6.756 -6.859 -4.086
197 HH22 ARG 25 2HH2 ARG 25 7.871 -5.775 -4.794
198 H THR 26 HN THR 26 7.067 -5.071 3.548
199 HA THR 26 HA THR 26 8.089 -7.140 5.188
200 HB THR 26 HB THR 26 8.476 -5.376 6.936
201 HG1 THR 26 1HG THR 26 6.726 -3.946 5.404
202 HG21 THR 26 1HG2 THR 26 9.430 -4.652 4.167
203 HG22 THR 26 2HG2 THR 26 10.165 -5.850 5.226
204 HG23 THR 26 3HG2 THR 26 10.181 -4.145 5.680
205 H GLU 27 HN GLU 27 4.985 -5.558 5.046
206 HA GLU 27 HA GLU 27 4.114 -6.620 7.573
207 HB2 GLU 27 2HB GLU 27 2.436 -5.554 5.286
208 HB3 GLU 27 1HB GLU 27 1.876 -5.859 6.928
209 HG2 GLU 27 2HG GLU 27 3.502 -4.166 7.711
210 HG3 GLU 27 1HG GLU 27 3.849 -3.795 6.026
211 H GLY 28 HN GLY 28 4.378 -7.759 4.396
212 HA2 GLY 28 2HA GLY 28 4.428 -10.199 4.157
213 HA3 GLY 28 1HA GLY 28 3.032 -10.255 5.222
214 H PHE 29 HN PHE 29 3.361 -7.923 2.639
215 HA PHE 29 HA PHE 29 1.337 -9.378 1.121
216 HB2 PHE 29 2HB PHE 29 1.694 -6.401 1.517
217 HB3 PHE 29 1HB PHE 29 0.589 -7.099 0.335
218 HD1 PHE 29 1HD PHE 29 -1.170 -8.705 1.206
219 HD2 PHE 29 2HD PHE 29 0.999 -6.046 3.706
220 HE1 PHE 29 1HE PHE 29 -2.905 -8.912 2.913
221 HE2 PHE 29 2HE PHE 29 -0.729 -6.253 5.428
222 HZ PHE 29 HZ PHE 29 -2.690 -7.687 5.036
223 HA PRO 30 HA PRO 30 4.041 -9.305 -2.372
224 HB2 PRO 30 2HB PRO 30 1.955 -8.152 -4.115
225 HB3 PRO 30 1HB PRO 30 2.774 -9.711 -4.233
226 HG2 PRO 30 2HG PRO 30 0.220 -9.518 -3.456
227 HG3 PRO 30 1HG PRO 30 1.311 -10.739 -2.766
228 HD2 PRO 30 2HD PRO 30 0.380 -8.139 -1.622
229 HD3 PRO 30 1HD PRO 30 0.605 -9.707 -0.818
230 H GLY 31 HN GLY 31 1.969 -6.364 -2.668
231 HA2 GLY 31 2HA GLY 31 4.270 -4.670 -2.500
232 HA3 GLY 31 1HA GLY 31 3.587 -4.772 -4.119
233 H GLY 32 HN GLY 32 3.459 -2.351 -3.330
234 HA2 GLY 32 2HA GLY 32 0.722 -1.978 -2.391
235 HA3 GLY 32 1HA GLY 32 2.038 -1.070 -1.649
236 H ARG 33 HN ARG 33 -0.089 0.166 -2.900
237 HA ARG 33 HA ARG 33 1.302 1.726 -4.868
238 HB2 ARG 33 2HB ARG 33 -0.462 1.473 -6.597
239 HB3 ARG 33 1HB ARG 33 0.454 0.002 -6.322
240 HG2 ARG 33 2HG ARG 33 -1.387 -0.876 -4.957
241 HG3 ARG 33 1HG ARG 33 -2.307 0.598 -5.272
242 HD2 ARG 33 2HD ARG 33 -3.002 -1.182 -6.779
243 HD3 ARG 33 1HD ARG 33 -2.224 0.132 -7.660
244 HE ARG 33 HE ARG 33 -0.722 -2.272 -6.906
245 HH11 ARG 33 1HH1 ARG 33 -1.887 -0.063 -9.444
246 HH12 ARG 33 2HH1 ARG 33 -1.011 -0.793 -10.692
247 HH21 ARG 33 1HH2 ARG 33 0.473 -3.283 -8.628
248 HH22 ARG 33 2HH2 ARG 33 0.368 -2.703 -10.218
249 H CYS 34 HN CYS 34 -0.388 3.437 -5.765
250 HA CYS 34 HA CYS 34 -1.593 4.674 -3.412
251 HB2 CYS 34 2HB CYS 34 -0.813 5.690 -6.131
252 HB3 CYS 34 1HB CYS 34 -1.666 6.673 -4.961
253 H ARG 35 HN ARG 35 -3.768 4.982 -3.230
254 HA ARG 35 HA ARG 35 -5.381 5.295 -5.631
255 HB2 ARG 35 2HB ARG 35 -6.962 3.549 -5.301
256 HB3 ARG 35 1HB ARG 35 -5.383 2.802 -5.073
257 HG2 ARG 35 2HG ARG 35 -5.632 2.739 -2.733
258 HG3 ARG 35 1HG ARG 35 -7.069 3.758 -2.794
259 HD2 ARG 35 2HD ARG 35 -6.823 0.976 -3.924
260 HD3 ARG 35 1HD ARG 35 -7.627 1.409 -2.417
261 HE ARG 35 HE ARG 35 -8.744 2.908 -4.510
262 HH11 ARG 35 1HH1 ARG 35 -8.696 -0.380 -3.250
263 HH12 ARG 35 2HH1 ARG 35 -10.126 -0.871 -4.029
264 HH21 ARG 35 1HH2 ARG 35 -10.753 2.303 -5.492
265 HH22 ARG 35 2HH2 ARG 35 -11.367 0.718 -5.304
266 H GLY 36 HN GLY 36 -4.601 6.474 -2.765
267 HA2 GLY 36 2HA GLY 36 -7.371 6.934 -1.908
268 HA3 GLY 36 1HA GLY 36 -6.015 6.820 -0.795
269 H PHE 37 HN PHE 37 -8.011 8.929 -1.388
270 HA PHE 37 HA PHE 37 -6.901 11.160 -2.624
271 HB2 PHE 37 2HB PHE 37 -9.252 11.009 -1.876
272 HB3 PHE 37 1HB PHE 37 -8.725 11.036 -0.203
273 HD1 PHE 37 1HD PHE 37 -8.908 13.033 -3.305
274 HD2 PHE 37 2HD PHE 37 -8.351 13.093 0.912
275 HE1 PHE 37 1HE PHE 37 -9.116 15.472 -3.318
276 HE2 PHE 37 2HE PHE 37 -8.556 15.546 0.907
277 HZ PHE 37 HZ PHE 37 -8.942 16.741 -1.207
278 H ARG 38 HN ARG 38 -6.457 9.862 0.567
279 HA ARG 38 HA ARG 38 -4.812 12.040 1.512
280 HB2 ARG 38 2HB ARG 38 -5.582 9.393 2.728
281 HB3 ARG 38 1HB ARG 38 -4.533 10.554 3.525
282 HG2 ARG 38 2HG ARG 38 -7.379 11.080 2.682
283 HG3 ARG 38 1HG ARG 38 -6.860 10.651 4.314
284 HD2 ARG 38 2HD ARG 38 -6.048 13.104 2.759
285 HD3 ARG 38 1HD ARG 38 -7.152 13.048 4.124
286 HE ARG 38 HE ARG 38 -5.091 12.053 5.313
287 HH11 ARG 38 1HH1 ARG 38 -5.054 14.702 2.967
288 HH12 ARG 38 2HH1 ARG 38 -3.643 15.405 3.575
289 HH21 ARG 38 1HH2 ARG 38 -3.145 13.043 6.164
290 HH22 ARG 38 2HH2 ARG 38 -2.525 14.436 5.419
291 H ARG 39 HN ARG 39 -4.035 9.971 -0.772
292 HA ARG 39 HA ARG 39 -2.113 9.081 -1.616
293 HB2 ARG 39 2HB ARG 39 -0.835 10.849 0.493
294 HB3 ARG 39 1HB ARG 39 0.048 10.049 -0.798
295 HG2 ARG 39 2HG ARG 39 -1.120 11.355 -2.457
296 HG3 ARG 39 1HG ARG 39 -2.130 12.091 -1.208
297 HD2 ARG 39 2HD ARG 39 0.873 12.334 -1.372
298 HD3 ARG 39 1HD ARG 39 -0.268 13.547 -1.947
299 HE ARG 39 HE ARG 39 -1.087 13.394 0.486
300 HH11 ARG 39 1HH1 ARG 39 2.315 13.386 -0.588
301 HH12 ARG 39 2HH1 ARG 39 2.880 14.121 0.840
302 HH21 ARG 39 1HH2 ARG 39 -0.227 14.444 2.432
303 HH22 ARG 39 2HH2 ARG 39 1.446 14.727 2.554
304 H ARG 40 HN ARG 40 -3.372 7.410 -0.102
305 HA ARG 40 HA ARG 40 -1.762 6.431 2.111
306 HB2 ARG 40 2HB ARG 40 -4.439 5.556 1.054
307 HB3 ARG 40 1HB ARG 40 -3.673 4.912 2.502
308 HG2 ARG 40 2HG ARG 40 -3.857 7.019 3.610
309 HG3 ARG 40 1HG ARG 40 -4.374 7.806 2.119
310 HD2 ARG 40 2HD ARG 40 -6.294 7.444 3.532
311 HD3 ARG 40 1HD ARG 40 -6.399 6.405 2.117
312 HE ARG 40 HE ARG 40 -5.280 5.239 4.524
313 HH11 ARG 40 1HH1 ARG 40 -8.094 5.590 2.408
314 HH12 ARG 40 2HH1 ARG 40 -8.989 4.363 3.160
315 HH21 ARG 40 1HH2 ARG 40 -6.537 3.472 5.518
316 HH22 ARG 40 2HH2 ARG 40 -8.073 3.114 4.884
317 H CYS 41 HN CYS 41 -0.498 4.704 1.983
318 HA CYS 41 HA CYS 41 -0.033 3.348 -0.488
319 HB2 CYS 41 2HB CYS 41 1.781 3.771 1.122
320 HB3 CYS 41 1HB CYS 41 0.960 2.792 2.322
321 H PHE 42 HN PHE 42 -1.253 1.787 -1.253
322 HA PHE 42 HA PHE 42 -2.727 0.110 0.624
323 HB2 PHE 42 2HB PHE 42 -3.388 1.078 -2.103
324 HB3 PHE 42 1HB PHE 42 -4.074 -0.428 -1.511
325 HD1 PHE 42 1HD PHE 42 -4.029 3.202 -1.111
326 HD2 PHE 42 2HD PHE 42 -5.625 -0.466 0.254
327 HE1 PHE 42 1HE PHE 42 -5.788 4.432 0.128
328 HE2 PHE 42 2HE PHE 42 -7.369 0.738 1.510
329 HZ PHE 42 HZ PHE 42 -7.452 3.195 1.436
330 H CYS 43 HN CYS 43 -2.091 -1.753 0.863
331 HA CYS 43 HA CYS 43 -0.144 -3.016 -0.806
332 HB2 CYS 43 2HB CYS 43 -1.721 -4.103 1.531
333 HB3 CYS 43 1HB CYS 43 -0.231 -4.764 0.864
334 H THR 44 HN THR 44 -0.662 -4.218 -2.490
335 HA THR 44 HA THR 44 -3.452 -4.867 -2.935
336 HB THR 44 HB THR 44 -1.094 -5.308 -4.777
337 HG1 THR 44 1HG THR 44 -1.970 -3.031 -3.893
338 HG21 THR 44 1HG2 THR 44 -3.156 -6.539 -5.361
339 HG22 THR 44 2HG2 THR 44 -2.827 -5.263 -6.535
340 HG23 THR 44 3HG2 THR 44 -4.069 -5.030 -5.306
341 H THR 45 HN THR 45 -4.079 -6.671 -1.992
342 HA THR 45 HA THR 45 -2.248 -8.939 -1.927
343 HB THR 45 HB THR 45 -2.897 -8.094 0.321
344 HG1 THR 45 1HG THR 45 -4.288 -10.340 0.606
345 HG21 THR 45 1HG2 THR 45 -5.210 -8.326 1.131
346 HG22 THR 45 2HG2 THR 45 -5.720 -8.816 -0.485
347 HG23 THR 45 3HG2 THR 45 -5.115 -7.184 -0.212
348 H HIS 46 HN HIS 46 -3.591 -11.051 -1.928
349 HA HIS 46 HA HIS 46 -5.486 -10.767 -4.138
350 HB2 HIS 46 2HB HIS 46 -3.666 -13.095 -3.471
351 HB3 HIS 46 1HB HIS 46 -4.826 -13.062 -4.791
352 HD1 HIS 46 1HD HIS 46 -4.102 -11.844 -6.950
353 HD2 HIS 46 2HD HIS 46 -1.379 -11.497 -3.830
354 HE1 HIS 46 1HE HIS 46 -2.012 -10.854 -7.963
355 H CYS 47 HN CYS 47 -7.499 -11.166 -3.599
356 HA CYS 47 HA CYS 47 -8.029 -12.867 -1.343
357 HB2 CYS 47 2HB CYS 47 -9.955 -11.289 -3.073
358 HB3 CYS 47 1HB CYS 47 -10.420 -12.237 -1.669
Start of MODEL 8
1 H1 ARG 1 1HT ARG 1 -8.634 -12.921 -7.480
2 H2 ARG 1 2HT ARG 1 -10.297 -12.831 -7.770
3 H3 ARG 1 3HT ARG 1 -9.678 -12.578 -6.218
4 HA ARG 1 HA ARG 1 -8.994 -10.915 -8.577
5 HB2 ARG 1 2HB ARG 1 -10.446 -9.165 -7.642
6 HB3 ARG 1 1HB ARG 1 -11.382 -10.605 -8.009
7 HG2 ARG 1 2HG ARG 1 -11.427 -11.203 -5.652
8 HG3 ARG 1 1HG ARG 1 -10.378 -9.840 -5.281
9 HD2 ARG 1 2HD ARG 1 -12.074 -8.282 -6.000
10 HD3 ARG 1 1HD ARG 1 -13.116 -9.614 -6.502
11 HE ARG 1 HE ARG 1 -13.286 -10.266 -4.208
12 HH11 ARG 1 1HH1 ARG 1 -12.114 -6.923 -4.742
13 HH12 ARG 1 2HH1 ARG 1 -12.512 -6.414 -3.187
14 HH21 ARG 1 1HH2 ARG 1 -13.858 -9.505 -2.107
15 HH22 ARG 1 2HH2 ARG 1 -13.546 -7.886 -1.651
16 H THR 2 HN THR 2 -8.152 -8.709 -7.690
17 HA THR 2 HA THR 2 -6.429 -9.306 -5.438
18 HB THR 2 HB THR 2 -5.334 -7.098 -6.149
19 HG1 THR 2 1HG THR 2 -6.975 -6.264 -7.442
20 HG21 THR 2 1HG2 THR 2 -4.111 -8.162 -8.004
21 HG22 THR 2 2HG2 THR 2 -5.356 -9.407 -8.104
22 HG23 THR 2 3HG2 THR 2 -4.348 -9.281 -6.663
23 H CYS 3 HN CYS 3 -6.335 -7.918 -3.625
24 HA CYS 3 HA CYS 3 -8.607 -6.102 -3.333
25 HB2 CYS 3 2HB CYS 3 -7.564 -8.214 -1.444
26 HB3 CYS 3 1HB CYS 3 -8.628 -6.898 -0.892
27 H GLN 4 HN GLN 4 -8.164 -4.329 -1.999
28 HA GLN 4 HA GLN 4 -5.320 -3.957 -1.469
29 HB2 GLN 4 2HB GLN 4 -7.401 -1.983 -2.318
30 HB3 GLN 4 1HB GLN 4 -5.892 -1.462 -1.605
31 HG2 GLN 4 2HG GLN 4 -4.701 -2.692 -3.403
32 HG3 GLN 4 1HG GLN 4 -6.267 -3.027 -4.142
33 HE21 GLN 4 1HE2 GLN 4 -4.003 -1.535 -5.158
34 HE22 GLN 4 2HE2 GLN 4 -4.604 0.037 -5.531
35 H SER 5 HN SER 5 -4.740 -3.909 0.455
36 HA SER 5 HA SER 5 -6.613 -3.059 2.512
37 HB2 SER 5 2HB SER 5 -4.477 -5.205 2.654
38 HB3 SER 5 1HB SER 5 -5.510 -4.702 3.994
39 HG SER 5 HG SER 5 -7.263 -5.174 2.420
40 H GLN 6 HN GLN 6 -5.906 -1.415 3.690
41 HA GLN 6 HA GLN 6 -3.712 0.115 2.880
42 HB2 GLN 6 2HB GLN 6 -5.733 1.012 3.910
43 HB3 GLN 6 1HB GLN 6 -5.291 0.263 5.434
44 HG2 GLN 6 2HG GLN 6 -3.332 1.677 5.587
45 HG3 GLN 6 1HG GLN 6 -3.703 2.387 4.015
46 HE21 GLN 6 1HE2 GLN 6 -4.615 2.201 7.346
47 HE22 GLN 6 2HE2 GLN 6 -5.677 3.557 7.326
48 H SER 7 HN SER 7 -1.672 0.343 3.579
49 HA SER 7 HA SER 7 -0.529 -1.694 5.153
50 HB2 SER 7 2HB SER 7 0.687 -0.505 3.326
51 HB3 SER 7 1HB SER 7 0.680 0.955 4.318
52 HG SER 7 HG SER 7 1.708 -1.526 5.152
53 H HIS 8 HN HIS 8 -0.054 -1.709 7.249
54 HA HIS 8 HA HIS 8 -1.501 0.231 8.857
55 HB2 HIS 8 2HB HIS 8 -1.685 -2.266 9.190
56 HB3 HIS 8 1HB HIS 8 -0.022 -2.247 9.740
57 HD1 HIS 8 1HD HIS 8 0.349 -1.745 12.227
58 HD2 HIS 8 2HD HIS 8 -3.485 -0.819 10.902
59 HE1 HIS 8 1HE HIS 8 -0.997 -1.215 14.289
60 H ARG 9 HN ARG 9 1.739 -0.800 8.203
61 HA ARG 9 HA ARG 9 2.744 1.012 10.295
62 HB2 ARG 9 2HB ARG 9 4.715 -0.358 10.415
63 HB3 ARG 9 1HB ARG 9 3.289 -1.374 10.543
64 HG2 ARG 9 2HG ARG 9 3.614 -1.783 8.031
65 HG3 ARG 9 1HG ARG 9 5.234 -1.131 8.291
66 HD2 ARG 9 2HD ARG 9 5.350 -3.510 8.492
67 HD3 ARG 9 1HD ARG 9 5.523 -2.826 10.118
68 HE ARG 9 HE ARG 9 2.838 -3.501 9.339
69 HH11 ARG 9 1HH1 ARG 9 5.784 -4.700 10.910
70 HH12 ARG 9 2HH1 ARG 9 5.007 -5.975 11.729
71 HH21 ARG 9 1HH2 ARG 9 1.769 -5.301 10.457
72 HH22 ARG 9 2HH2 ARG 9 2.674 -6.323 11.463
73 H PHE 10 HN PHE 10 2.051 1.538 7.353
74 HA PHE 10 HA PHE 10 4.548 2.223 6.118
75 HB2 PHE 10 2HB PHE 10 2.583 1.709 4.754
76 HB3 PHE 10 1HB PHE 10 1.728 3.093 5.431
77 HD1 PHE 10 1HD PHE 10 1.974 5.214 4.481
78 HD2 PHE 10 2HD PHE 10 4.665 2.118 3.383
79 HE1 PHE 10 1HE PHE 10 2.900 6.641 2.718
80 HE2 PHE 10 2HE PHE 10 5.589 3.530 1.637
81 HZ PHE 10 HZ PHE 10 4.714 5.802 1.290
82 H ARG 11 HN ARG 11 5.470 4.215 5.795
83 HA ARG 11 HA ARG 11 4.455 6.419 7.393
84 HB2 ARG 11 2HB ARG 11 6.683 6.906 8.233
85 HB3 ARG 11 1HB ARG 11 6.181 5.301 8.748
86 HG2 ARG 11 2HG ARG 11 7.588 4.261 7.145
87 HG3 ARG 11 1HG ARG 11 7.930 5.802 6.362
88 HD2 ARG 11 2HD ARG 11 8.979 6.569 8.434
89 HD3 ARG 11 1HD ARG 11 8.731 4.964 9.131
90 HE ARG 11 HE ARG 11 10.014 4.382 6.881
91 HH11 ARG 11 1HH1 ARG 11 10.780 6.742 9.392
92 HH12 ARG 11 2HH1 ARG 11 12.460 6.643 9.164
93 HH21 ARG 11 1HH2 ARG 11 12.330 4.266 6.536
94 HH22 ARG 11 2HH2 ARG 11 13.368 5.219 7.490
95 H GLY 12 HN GLY 12 5.040 8.435 6.512
96 HA2 GLY 12 2HA GLY 12 6.120 9.874 5.059
97 HA3 GLY 12 1HA GLY 12 6.782 8.483 4.209
98 HA PRO 13 HA PRO 13 3.278 9.881 1.669
99 HB2 PRO 13 2HB PRO 13 4.672 10.530 -0.555
100 HB3 PRO 13 1HB PRO 13 4.423 11.661 0.775
101 HG2 PRO 13 2HG PRO 13 6.870 10.252 -0.040
102 HG3 PRO 13 1HG PRO 13 6.686 11.706 0.948
103 HD2 PRO 13 2HD PRO 13 7.152 8.998 1.843
104 HD3 PRO 13 1HD PRO 13 6.988 10.466 2.821
105 H CYS 14 HN CYS 14 2.120 8.462 0.465
106 HA CYS 14 HA CYS 14 3.132 5.924 -0.152
107 HB2 CYS 14 2HB CYS 14 0.779 6.255 0.266
108 HB3 CYS 14 1HB CYS 14 0.650 7.365 -1.086
109 H LEU 15 HN LEU 15 3.309 8.862 -1.788
110 HA LEU 15 HA LEU 15 3.409 8.250 -4.497
111 HB2 LEU 15 2HB LEU 15 5.127 10.213 -3.005
112 HB3 LEU 15 1HB LEU 15 4.966 10.151 -4.744
113 HG LEU 15 HG LEU 15 2.817 10.871 -2.759
114 HD11 LEU 15 1HD1 LEU 15 4.491 12.595 -3.073
115 HD12 LEU 15 2HD1 LEU 15 2.979 13.078 -3.841
116 HD13 LEU 15 3HD1 LEU 15 4.314 12.480 -4.820
117 HD21 LEU 15 1HD2 LEU 15 1.445 11.374 -4.742
118 HD22 LEU 15 2HD2 LEU 15 1.847 9.665 -4.646
119 HD23 LEU 15 3HD2 LEU 15 2.712 10.712 -5.774
120 H ARG 16 HN ARG 16 5.808 7.674 -2.027
121 HA ARG 16 HA ARG 16 7.767 6.873 -3.969
122 HB2 ARG 16 2HB ARG 16 7.768 6.397 -0.982
123 HB3 ARG 16 1HB ARG 16 9.138 6.210 -2.064
124 HG2 ARG 16 2HG ARG 16 9.005 8.653 -2.532
125 HG3 ARG 16 1HG ARG 16 7.761 8.766 -1.283
126 HD2 ARG 16 2HD ARG 16 9.858 9.337 -0.282
127 HD3 ARG 16 1HD ARG 16 9.384 7.740 0.301
128 HE ARG 16 HE ARG 16 11.064 7.740 -2.024
129 HH11 ARG 16 1HH1 ARG 16 11.077 7.652 1.520
130 HH12 ARG 16 2HH1 ARG 16 12.600 6.874 1.609
131 HH21 ARG 16 1HH2 ARG 16 13.160 6.717 -1.856
132 HH22 ARG 16 2HH2 ARG 16 13.793 6.369 -0.309
133 H ARG 17 HN ARG 17 6.783 5.316 -5.110
134 HA ARG 17 HA ARG 17 5.253 3.232 -4.042
135 HB2 ARG 17 2HB ARG 17 5.424 2.139 -6.248
136 HB3 ARG 17 1HB ARG 17 4.962 3.826 -6.356
137 HG2 ARG 17 2HG ARG 17 7.242 4.404 -7.022
138 HG3 ARG 17 1HG ARG 17 7.707 2.705 -6.891
139 HD2 ARG 17 2HD ARG 17 6.054 2.131 -8.614
140 HD3 ARG 17 1HD ARG 17 5.604 3.830 -8.736
141 HE ARG 17 HE ARG 17 8.370 3.494 -9.138
142 HH11 ARG 17 1HH1 ARG 17 5.261 3.115 -10.808
143 HH12 ARG 17 2HH1 ARG 17 5.920 3.182 -12.372
144 HH21 ARG 17 1HH2 ARG 17 9.285 3.599 -11.293
145 HH22 ARG 17 2HH2 ARG 17 8.293 3.471 -12.657
146 H SER 18 HN SER 18 8.694 3.511 -4.449
147 HA SER 18 HA SER 18 9.332 0.799 -4.098
148 HB2 SER 18 2HB SER 18 10.904 3.251 -3.241
149 HB3 SER 18 1HB SER 18 11.557 1.627 -3.465
150 HG SER 18 HG SER 18 11.028 1.758 -5.643
151 H ASN 19 HN ASN 19 8.810 3.448 -1.853
152 HA ASN 19 HA ASN 19 9.451 2.057 0.535
153 HB2 ASN 19 2HB ASN 19 9.443 4.564 0.270
154 HB3 ASN 19 1HB ASN 19 7.689 4.485 0.165
155 HD21 ASN 19 1HD2 ASN 19 7.475 5.837 1.933
156 HD22 ASN 19 2HD2 ASN 19 7.728 5.309 3.535
157 H CYS 20 HN CYS 20 6.384 2.957 -1.008
158 HA CYS 20 HA CYS 20 4.612 1.796 0.803
159 HB2 CYS 20 2HB CYS 20 3.865 3.349 -0.931
160 HB3 CYS 20 1HB CYS 20 4.316 2.210 -2.186
161 H ALA 21 HN ALA 21 5.939 0.329 -2.187
162 HA ALA 21 HA ALA 21 4.637 -2.129 -1.822
163 HB1 ALA 21 1HB ALA 21 7.167 -1.580 -3.362
164 HB2 ALA 21 2HB ALA 21 5.528 -1.409 -3.991
165 HB3 ALA 21 3HB ALA 21 6.136 -3.000 -3.528
166 H ASN 22 HN ASN 22 7.836 -0.990 -0.784
167 HA ASN 22 HA ASN 22 8.594 -3.551 0.155
168 HB2 ASN 22 2HB ASN 22 9.778 -0.842 0.630
169 HB3 ASN 22 1HB ASN 22 10.384 -2.265 1.468
170 HD21 ASN 22 1HD2 ASN 22 11.628 -0.520 -0.470
171 HD22 ASN 22 2HD2 ASN 22 12.163 -1.505 -1.772
172 H VAL 23 HN VAL 23 6.999 -0.843 1.749
173 HA VAL 23 HA VAL 23 7.205 -2.027 4.309
174 HB VAL 23 HB VAL 23 5.131 -0.038 3.300
175 HG11 VAL 23 1HG1 VAL 23 4.331 -1.341 5.243
176 HG12 VAL 23 2HG1 VAL 23 4.589 0.348 5.645
177 HG13 VAL 23 3HG1 VAL 23 5.775 -0.867 6.136
178 HG21 VAL 23 1HG2 VAL 23 7.416 0.832 3.303
179 HG22 VAL 23 2HG2 VAL 23 7.614 0.332 4.981
180 HG23 VAL 23 3HG2 VAL 23 6.461 1.600 4.572
181 H CYS 24 HN CYS 24 4.669 -2.134 1.832
182 HA CYS 24 HA CYS 24 2.962 -3.908 3.124
183 HB2 CYS 24 2HB CYS 24 3.552 -3.485 0.202
184 HB3 CYS 24 1HB CYS 24 2.260 -4.539 0.755
185 H ARG 25 HN ARG 25 5.764 -4.518 1.122
186 HA ARG 25 HA ARG 25 5.847 -7.284 0.988
187 HB2 ARG 25 2HB ARG 25 7.315 -5.848 -0.251
188 HB3 ARG 25 1HB ARG 25 7.958 -5.174 1.227
189 HG2 ARG 25 2HG ARG 25 9.053 -7.303 1.705
190 HG3 ARG 25 1HG ARG 25 8.442 -7.952 0.175
191 HD2 ARG 25 2HD ARG 25 9.582 -6.211 -1.059
192 HD3 ARG 25 1HD ARG 25 10.117 -5.465 0.440
193 HE ARG 25 HE ARG 25 10.951 -8.179 0.108
194 HH11 ARG 25 1HH1 ARG 25 11.736 -4.805 -0.634
195 HH12 ARG 25 2HH1 ARG 25 13.416 -5.061 -0.738
196 HH21 ARG 25 1HH2 ARG 25 13.259 -8.549 -0.069
197 HH22 ARG 25 2HH2 ARG 25 14.303 -7.262 -0.432
198 H THR 26 HN THR 26 7.116 -5.094 3.542
199 HA THR 26 HA THR 26 8.174 -7.026 5.184
200 HB THR 26 HB THR 26 7.198 -4.218 5.719
201 HG1 THR 26 1HG THR 26 8.693 -4.016 4.128
202 HG21 THR 26 1HG2 THR 26 8.932 -4.240 7.413
203 HG22 THR 26 2HG2 THR 26 9.236 -5.954 7.016
204 HG23 THR 26 3HG2 THR 26 7.663 -5.450 7.680
205 H GLU 27 HN GLU 27 4.921 -5.641 4.831
206 HA GLU 27 HA GLU 27 3.990 -6.872 7.274
207 HB2 GLU 27 2HB GLU 27 2.322 -5.596 5.097
208 HB3 GLU 27 1HB GLU 27 1.785 -6.010 6.722
209 HG2 GLU 27 2HG GLU 27 3.583 -4.404 7.517
210 HG3 GLU 27 1HG GLU 27 3.641 -3.840 5.849
211 H GLY 28 HN GLY 28 4.747 -8.141 4.375
212 HA2 GLY 28 2HA GLY 28 4.536 -10.455 3.949
213 HA3 GLY 28 1HA GLY 28 3.074 -10.476 4.919
214 H PHE 29 HN PHE 29 3.360 -7.974 2.589
215 HA PHE 29 HA PHE 29 1.437 -9.391 0.903
216 HB2 PHE 29 2HB PHE 29 1.860 -6.437 1.370
217 HB3 PHE 29 1HB PHE 29 0.762 -7.078 0.150
218 HD1 PHE 29 1HD PHE 29 -1.061 -8.665 0.989
219 HD2 PHE 29 2HD PHE 29 1.111 -6.041 3.518
220 HE1 PHE 29 1HE PHE 29 -2.837 -8.818 2.641
221 HE2 PHE 29 2HE PHE 29 -0.667 -6.182 5.204
222 HZ PHE 29 HZ PHE 29 -2.660 -7.570 4.776
223 HA PRO 30 HA PRO 30 4.288 -9.197 -2.547
224 HB2 PRO 30 2HB PRO 30 2.149 -8.134 -4.286
225 HB3 PRO 30 1HB PRO 30 3.055 -9.643 -4.421
226 HG2 PRO 30 2HG PRO 30 0.488 -9.626 -3.671
227 HG3 PRO 30 1HG PRO 30 1.653 -10.769 -2.984
228 HD2 PRO 30 2HD PRO 30 0.544 -8.253 -1.800
229 HD3 PRO 30 1HD PRO 30 0.854 -9.814 -1.024
230 H GLY 31 HN GLY 31 2.077 -6.384 -2.450
231 HA2 GLY 31 2HA GLY 31 4.170 -4.508 -2.359
232 HA3 GLY 31 1HA GLY 31 3.557 -4.636 -4.005
233 H GLY 32 HN GLY 32 2.998 -2.290 -3.466
234 HA2 GLY 32 2HA GLY 32 0.277 -2.242 -2.516
235 HA3 GLY 32 1HA GLY 32 1.443 -1.257 -1.633
236 H ARG 33 HN ARG 33 -0.687 -0.125 -2.834
237 HA ARG 33 HA ARG 33 0.600 1.575 -4.788
238 HB2 ARG 33 2HB ARG 33 -0.604 -0.232 -6.073
239 HB3 ARG 33 1HB ARG 33 -2.100 0.305 -5.313
240 HG2 ARG 33 2HG ARG 33 -1.932 1.180 -7.569
241 HG3 ARG 33 1HG ARG 33 -1.839 2.495 -6.391
242 HD2 ARG 33 2HD ARG 33 0.627 2.420 -6.573
243 HD3 ARG 33 1HD ARG 33 0.461 1.196 -7.831
244 HE ARG 33 HE ARG 33 -1.029 3.364 -8.642
245 HH11 ARG 33 1HH1 ARG 33 2.371 2.711 -7.839
246 HH12 ARG 33 2HH1 ARG 33 2.971 3.893 -8.909
247 HH21 ARG 33 1HH2 ARG 33 -0.169 4.991 -10.086
248 HH22 ARG 33 2HH2 ARG 33 1.513 5.217 -10.208
249 H CYS 34 HN CYS 34 -0.606 3.584 -5.003
250 HA CYS 34 HA CYS 34 -1.851 4.406 -2.533
251 HB2 CYS 34 2HB CYS 34 -1.375 5.957 -5.077
252 HB3 CYS 34 1HB CYS 34 -1.772 6.627 -3.497
253 H ARG 35 HN ARG 35 -3.967 4.309 -2.241
254 HA ARG 35 HA ARG 35 -5.689 3.877 -4.539
255 HB2 ARG 35 2HB ARG 35 -5.972 2.481 -2.528
256 HB3 ARG 35 1HB ARG 35 -6.376 3.910 -1.597
257 HG2 ARG 35 2HG ARG 35 -8.378 2.692 -2.156
258 HG3 ARG 35 1HG ARG 35 -8.363 4.240 -3.003
259 HD2 ARG 35 2HD ARG 35 -7.633 3.158 -5.039
260 HD3 ARG 35 1HD ARG 35 -7.509 1.613 -4.200
261 HE ARG 35 HE ARG 35 -10.044 3.054 -4.560
262 HH11 ARG 35 1HH1 ARG 35 -8.162 0.046 -4.652
263 HH12 ARG 35 2HH1 ARG 35 -9.475 -0.933 -5.094
264 HH21 ARG 35 1HH2 ARG 35 -11.853 1.704 -5.178
265 HH22 ARG 35 2HH2 ARG 35 -11.631 0.033 -5.421
266 H GLY 36 HN GLY 36 -6.208 5.901 -1.642
267 HA2 GLY 36 2HA GLY 36 -7.839 7.706 -3.138
268 HA3 GLY 36 1HA GLY 36 -7.415 7.833 -1.442
269 H PHE 37 HN PHE 37 -7.594 10.005 -2.975
270 HA PHE 37 HA PHE 37 -5.225 10.904 -4.243
271 HB2 PHE 37 2HB PHE 37 -7.528 11.783 -4.632
272 HB3 PHE 37 1HB PHE 37 -7.483 12.526 -3.042
273 HD1 PHE 37 1HD PHE 37 -6.067 12.561 -6.433
274 HD2 PHE 37 2HD PHE 37 -6.380 14.612 -2.718
275 HE1 PHE 37 1HE PHE 37 -5.133 14.576 -7.470
276 HE2 PHE 37 2HE PHE 37 -5.444 16.625 -3.748
277 HZ PHE 37 HZ PHE 37 -4.818 16.611 -6.133
278 H ARG 38 HN ARG 38 -6.191 10.699 -0.969
279 HA ARG 38 HA ARG 38 -4.305 12.620 0.045
280 HB2 ARG 38 2HB ARG 38 -6.066 10.585 1.405
281 HB3 ARG 38 1HB ARG 38 -4.919 11.582 2.290
282 HG2 ARG 38 2HG ARG 38 -6.021 13.592 1.549
283 HG3 ARG 38 1HG ARG 38 -7.115 12.651 0.542
284 HD2 ARG 38 2HD ARG 38 -6.929 12.374 3.530
285 HD3 ARG 38 1HD ARG 38 -8.049 13.460 2.729
286 HE ARG 38 HE ARG 38 -8.392 10.966 1.609
287 HH11 ARG 38 1HH1 ARG 38 -8.770 12.440 4.812
288 HH12 ARG 38 2HH1 ARG 38 -10.121 11.514 5.258
289 HH21 ARG 38 1HH2 ARG 38 -10.331 9.680 2.218
290 HH22 ARG 38 2HH2 ARG 38 -11.047 9.967 3.722
291 H ARG 39 HN ARG 39 -3.856 9.866 -1.393
292 HA ARG 39 HA ARG 39 -2.165 8.450 -1.732
293 HB2 ARG 39 2HB ARG 39 -0.421 10.375 -0.232
294 HB3 ARG 39 1HB ARG 39 0.068 9.250 -1.484
295 HG2 ARG 39 2HG ARG 39 -1.619 11.709 -1.827
296 HG3 ARG 39 1HG ARG 39 0.060 11.484 -2.313
297 HD2 ARG 39 2HD ARG 39 -0.612 9.820 -3.945
298 HD3 ARG 39 1HD ARG 39 -2.293 9.947 -3.409
299 HE ARG 39 HE ARG 39 -1.221 12.452 -4.098
300 HH11 ARG 39 1HH1 ARG 39 -2.511 9.502 -5.650
301 HH12 ARG 39 2HH1 ARG 39 -3.126 10.355 -6.988
302 HH21 ARG 39 1HH2 ARG 39 -2.108 13.562 -5.951
303 HH22 ARG 39 2HH2 ARG 39 -2.903 12.660 -7.160
304 H ARG 40 HN ARG 40 -3.156 6.976 -0.300
305 HA ARG 40 HA ARG 40 -1.449 6.511 2.003
306 HB2 ARG 40 2HB ARG 40 -4.332 5.611 1.740
307 HB3 ARG 40 1HB ARG 40 -3.291 5.307 3.124
308 HG2 ARG 40 2HG ARG 40 -3.143 7.858 3.320
309 HG3 ARG 40 1HG ARG 40 -4.509 7.892 2.210
310 HD2 ARG 40 2HD ARG 40 -4.385 6.616 4.934
311 HD3 ARG 40 1HD ARG 40 -5.326 8.024 4.488
312 HE ARG 40 HE ARG 40 -5.851 5.237 3.926
313 HH11 ARG 40 1HH1 ARG 40 -6.979 8.588 3.479
314 HH12 ARG 40 2HH1 ARG 40 -8.607 8.118 3.232
315 HH21 ARG 40 1HH2 ARG 40 -8.102 4.672 3.642
316 HH22 ARG 40 2HH2 ARG 40 -9.246 5.883 3.310
317 H CYS 41 HN CYS 41 -0.604 4.532 2.198
318 HA CYS 41 HA CYS 41 -0.313 3.122 -0.269
319 HB2 CYS 41 2HB CYS 41 1.617 3.573 1.162
320 HB3 CYS 41 1HB CYS 41 0.886 2.645 2.462
321 H PHE 42 HN PHE 42 -1.699 1.664 -0.887
322 HA PHE 42 HA PHE 42 -2.903 -0.076 1.119
323 HB2 PHE 42 2HB PHE 42 -3.899 0.837 -1.552
324 HB3 PHE 42 1HB PHE 42 -4.490 -0.618 -0.763
325 HD1 PHE 42 1HD PHE 42 -6.301 -0.494 0.629
326 HD2 PHE 42 2HD PHE 42 -4.037 3.027 -0.096
327 HE1 PHE 42 1HE PHE 42 -7.945 0.821 1.900
328 HE2 PHE 42 2HE PHE 42 -5.703 4.346 1.173
329 HZ PHE 42 HZ PHE 42 -7.642 3.235 2.164
330 H CYS 43 HN CYS 43 -2.091 -1.901 1.222
331 HA CYS 43 HA CYS 43 -0.268 -2.983 -0.653
332 HB2 CYS 43 2HB CYS 43 -1.625 -4.257 1.717
333 HB3 CYS 43 1HB CYS 43 -0.159 -4.819 0.916
334 H THR 44 HN THR 44 -0.689 -4.385 -2.227
335 HA THR 44 HA THR 44 -3.468 -5.067 -2.695
336 HB THR 44 HB THR 44 -1.052 -5.464 -4.486
337 HG1 THR 44 1HG THR 44 -2.054 -3.256 -3.712
338 HG21 THR 44 1HG2 THR 44 -2.740 -5.665 -6.270
339 HG22 THR 44 2HG2 THR 44 -4.026 -5.455 -5.085
340 HG23 THR 44 3HG2 THR 44 -3.008 -6.894 -5.033
341 H THR 45 HN THR 45 -4.151 -6.893 -1.931
342 HA THR 45 HA THR 45 -2.273 -9.091 -1.550
343 HB THR 45 HB THR 45 -3.222 -8.220 0.553
344 HG1 THR 45 1HG THR 45 -2.809 -10.405 0.492
345 HG21 THR 45 1HG2 THR 45 -5.356 -7.354 -0.288
346 HG22 THR 45 2HG2 THR 45 -5.599 -8.440 1.081
347 HG23 THR 45 3HG2 THR 45 -5.908 -9.010 -0.560
348 H HIS 46 HN HIS 46 -3.314 -11.222 -1.800
349 HA HIS 46 HA HIS 46 -4.876 -11.203 -4.269
350 HB2 HIS 46 2HB HIS 46 -3.464 -13.510 -2.903
351 HB3 HIS 46 1HB HIS 46 -4.291 -13.591 -4.447
352 HD1 HIS 46 1HD HIS 46 -0.993 -13.523 -3.239
353 HD2 HIS 46 2HD HIS 46 -2.993 -11.460 -6.246
354 HE1 HIS 46 1HE HIS 46 0.785 -12.715 -4.798
355 H CYS 47 HN CYS 47 -7.000 -11.484 -4.159
356 HA CYS 47 HA CYS 47 -8.014 -12.932 -1.895
357 HB2 CYS 47 2HB CYS 47 -9.293 -10.887 -3.675
358 HB3 CYS 47 1HB CYS 47 -10.250 -11.916 -2.622
Start of MODEL 9
1 H1 ARG 1 1HT ARG 1 -11.534 -10.694 -8.221
2 H2 ARG 1 2HT ARG 1 -10.869 -9.167 -8.007
3 H3 ARG 1 3HT ARG 1 -10.806 -10.298 -6.758
4 HA ARG 1 HA ARG 1 -9.402 -11.725 -7.980
5 HB2 ARG 1 2HB ARG 1 -10.225 -11.121 -10.221
6 HB3 ARG 1 1HB ARG 1 -9.466 -9.546 -10.077
7 HG2 ARG 1 2HG ARG 1 -7.272 -10.577 -10.051
8 HG3 ARG 1 1HG ARG 1 -8.006 -12.181 -10.102
9 HD2 ARG 1 2HD ARG 1 -7.232 -11.496 -12.311
10 HD3 ARG 1 1HD ARG 1 -8.986 -11.671 -12.279
11 HE ARG 1 HE ARG 1 -8.240 -8.999 -11.740
12 HH11 ARG 1 1HH1 ARG 1 -8.538 -11.276 -14.443
13 HH12 ARG 1 2HH1 ARG 1 -8.724 -10.037 -15.613
14 HH21 ARG 1 1HH2 ARG 1 -8.498 -7.346 -13.345
15 HH22 ARG 1 2HH2 ARG 1 -8.703 -7.781 -14.978
16 H THR 2 HN THR 2 -9.303 -8.180 -7.616
17 HA THR 2 HA THR 2 -6.629 -8.495 -6.481
18 HB THR 2 HB THR 2 -7.754 -5.983 -7.607
19 HG1 THR 2 1HG THR 2 -6.034 -7.773 -9.012
20 HG21 THR 2 1HG2 THR 2 -4.925 -6.978 -7.234
21 HG22 THR 2 2HG2 THR 2 -5.760 -5.788 -6.239
22 HG23 THR 2 3HG2 THR 2 -5.360 -5.411 -7.915
23 H CYS 3 HN CYS 3 -6.361 -7.393 -4.580
24 HA CYS 3 HA CYS 3 -8.619 -5.954 -3.429
25 HB2 CYS 3 2HB CYS 3 -7.043 -8.121 -2.014
26 HB3 CYS 3 1HB CYS 3 -8.296 -7.126 -1.284
27 H GLN 4 HN GLN 4 -7.929 -4.316 -2.019
28 HA GLN 4 HA GLN 4 -5.080 -4.106 -1.576
29 HB2 GLN 4 2HB GLN 4 -6.788 -1.981 -2.867
30 HB3 GLN 4 1HB GLN 4 -5.254 -1.631 -2.087
31 HG2 GLN 4 2HG GLN 4 -4.107 -3.117 -3.623
32 HG3 GLN 4 1HG GLN 4 -5.636 -3.513 -4.402
33 HE21 GLN 4 1HE2 GLN 4 -3.180 -2.349 -5.436
34 HE22 GLN 4 2HE2 GLN 4 -3.675 -0.881 -6.199
35 H SER 5 HN SER 5 -4.559 -3.479 0.338
36 HA SER 5 HA SER 5 -6.582 -2.270 2.094
37 HB2 SER 5 2HB SER 5 -6.226 -4.751 2.513
38 HB3 SER 5 1HB SER 5 -4.543 -4.390 2.856
39 HG SER 5 HG SER 5 -5.119 -3.918 4.792
40 H GLN 6 HN GLN 6 -5.652 -0.592 3.347
41 HA GLN 6 HA GLN 6 -3.103 0.253 2.351
42 HB2 GLN 6 2HB GLN 6 -3.343 2.253 3.662
43 HB3 GLN 6 1HB GLN 6 -4.824 1.935 2.782
44 HG2 GLN 6 2HG GLN 6 -5.902 1.176 4.787
45 HG3 GLN 6 1HG GLN 6 -4.388 1.317 5.690
46 HE21 GLN 6 1HE2 GLN 6 -7.019 3.050 4.234
47 HE22 GLN 6 2HE2 GLN 6 -6.614 4.573 4.919
48 H SER 7 HN SER 7 -1.266 0.525 3.388
49 HA SER 7 HA SER 7 -0.571 -1.386 5.323
50 HB2 SER 7 2HB SER 7 1.026 -0.562 3.681
51 HB3 SER 7 1HB SER 7 0.853 1.078 4.301
52 HG SER 7 HG SER 7 1.735 -1.103 5.880
53 H HIS 8 HN HIS 8 -0.017 -1.057 7.475
54 HA HIS 8 HA HIS 8 -1.574 1.097 8.738
55 HB2 HIS 8 2HB HIS 8 -2.088 -1.215 9.410
56 HB3 HIS 8 1HB HIS 8 -0.422 -1.450 9.906
57 HD1 HIS 8 1HD HIS 8 -3.604 0.334 10.973
58 HD2 HIS 8 2HD HIS 8 0.189 -0.559 12.433
59 HE1 HIS 8 1HE HIS 8 -3.649 0.899 13.410
60 H ARG 9 HN ARG 9 1.610 0.106 8.163
61 HA ARG 9 HA ARG 9 2.598 1.983 10.197
62 HB2 ARG 9 2HB ARG 9 4.429 0.403 10.661
63 HB3 ARG 9 1HB ARG 9 2.852 -0.287 11.008
64 HG2 ARG 9 2HG ARG 9 3.057 -1.277 8.610
65 HG3 ARG 9 1HG ARG 9 4.780 -0.970 8.836
66 HD2 ARG 9 2HD ARG 9 4.337 -3.204 9.510
67 HD3 ARG 9 1HD ARG 9 4.624 -2.272 10.995
68 HE ARG 9 HE ARG 9 1.967 -3.027 9.946
69 HH11 ARG 9 1HH1 ARG 9 4.073 -2.472 12.762
70 HH12 ARG 9 2HH1 ARG 9 2.958 -3.105 13.874
71 HH21 ARG 9 1HH2 ARG 9 0.454 -3.903 11.517
72 HH22 ARG 9 2HH2 ARG 9 0.877 -3.943 13.164
73 H PHE 10 HN PHE 10 2.089 2.428 7.450
74 HA PHE 10 HA PHE 10 4.563 2.280 6.019
75 HB2 PHE 10 2HB PHE 10 2.472 2.026 4.836
76 HB3 PHE 10 1HB PHE 10 1.964 3.650 5.308
77 HD1 PHE 10 1HD PHE 10 4.841 1.959 3.707
78 HD2 PHE 10 2HD PHE 10 2.244 5.272 3.757
79 HE1 PHE 10 1HE PHE 10 5.985 2.849 1.767
80 HE2 PHE 10 2HE PHE 10 3.367 6.187 1.779
81 HZ PHE 10 HZ PHE 10 5.252 4.977 0.772
82 H ARG 11 HN ARG 11 5.752 3.976 5.216
83 HA ARG 11 HA ARG 11 5.947 6.250 7.053
84 HB2 ARG 11 2HB ARG 11 7.978 4.883 5.288
85 HB3 ARG 11 1HB ARG 11 8.293 6.324 6.242
86 HG2 ARG 11 2HG ARG 11 8.000 5.123 8.284
87 HG3 ARG 11 1HG ARG 11 7.394 3.713 7.406
88 HD2 ARG 11 2HD ARG 11 10.145 4.807 6.910
89 HD3 ARG 11 1HD ARG 11 9.843 3.661 8.209
90 HE ARG 11 HE ARG 11 9.160 2.056 6.593
91 HH11 ARG 11 1HH1 ARG 11 10.759 4.881 5.137
92 HH12 ARG 11 2HH1 ARG 11 11.301 4.057 3.768
93 HH21 ARG 11 1HH2 ARG 11 9.943 0.895 4.698
94 HH22 ARG 11 2HH2 ARG 11 10.836 1.723 3.524
95 H GLY 12 HN GLY 12 5.057 8.046 6.135
96 HA2 GLY 12 2HA GLY 12 5.060 9.857 4.698
97 HA3 GLY 12 1HA GLY 12 6.085 8.952 3.599
98 HA PRO 13 HA PRO 13 1.938 8.791 1.668
99 HB2 PRO 13 2HB PRO 13 2.454 10.134 -0.577
100 HB3 PRO 13 1HB PRO 13 2.098 10.985 0.928
101 HG2 PRO 13 2HG PRO 13 4.708 10.584 -0.447
102 HG3 PRO 13 1HG PRO 13 4.152 11.953 0.526
103 HD2 PRO 13 2HD PRO 13 5.823 9.850 1.393
104 HD3 PRO 13 1HD PRO 13 5.021 11.048 2.424
105 H CYS 14 HN CYS 14 1.320 7.619 -0.269
106 HA CYS 14 HA CYS 14 2.866 5.311 -0.769
107 HB2 CYS 14 2HB CYS 14 1.126 4.748 -2.392
108 HB3 CYS 14 1HB CYS 14 0.446 5.337 -0.873
109 H LEU 15 HN LEU 15 3.235 8.331 -2.120
110 HA LEU 15 HA LEU 15 3.680 7.727 -4.835
111 HB2 LEU 15 2HB LEU 15 4.544 10.091 -3.189
112 HB3 LEU 15 1HB LEU 15 4.908 9.948 -4.893
113 HG LEU 15 HG LEU 15 3.037 11.386 -4.646
114 HD11 LEU 15 1HD1 LEU 15 1.351 10.295 -5.990
115 HD12 LEU 15 2HD1 LEU 15 2.049 8.725 -5.623
116 HD13 LEU 15 3HD1 LEU 15 2.975 9.904 -6.556
117 HD21 LEU 15 1HD2 LEU 15 2.222 10.781 -2.474
118 HD22 LEU 15 2HD2 LEU 15 1.742 9.185 -3.045
119 HD23 LEU 15 3HD2 LEU 15 0.890 10.615 -3.618
120 H ARG 16 HN ARG 16 5.626 7.140 -2.146
121 HA ARG 16 HA ARG 16 7.912 6.767 -3.909
122 HB2 ARG 16 2HB ARG 16 7.751 6.488 -0.901
123 HB3 ARG 16 1HB ARG 16 9.216 6.349 -1.853
124 HG2 ARG 16 2HG ARG 16 7.554 8.855 -1.555
125 HG3 ARG 16 1HG ARG 16 9.049 8.514 -0.698
126 HD2 ARG 16 2HD ARG 16 9.541 10.012 -2.499
127 HD3 ARG 16 1HD ARG 16 10.219 8.444 -2.923
128 HE ARG 16 HE ARG 16 7.766 8.452 -4.119
129 HH11 ARG 16 1HH1 ARG 16 10.420 10.768 -4.261
130 HH12 ARG 16 2HH1 ARG 16 10.135 11.168 -5.894
131 HH21 ARG 16 1HH2 ARG 16 7.359 9.040 -6.328
132 HH22 ARG 16 2HH2 ARG 16 8.393 10.188 -7.066
133 H ARG 17 HN ARG 17 7.496 5.076 -5.037
134 HA ARG 17 HA ARG 17 5.760 3.037 -4.205
135 HB2 ARG 17 2HB ARG 17 6.264 1.901 -6.297
136 HB3 ARG 17 1HB ARG 17 5.913 3.600 -6.529
137 HG2 ARG 17 2HG ARG 17 8.313 4.055 -6.774
138 HG3 ARG 17 1HG ARG 17 8.649 2.334 -6.567
139 HD2 ARG 17 2HD ARG 17 8.607 2.933 -8.932
140 HD3 ARG 17 1HD ARG 17 7.281 1.839 -8.526
141 HE ARG 17 HE ARG 17 6.739 4.684 -8.482
142 HH11 ARG 17 1HH1 ARG 17 6.359 1.616 -10.228
143 HH12 ARG 17 2HH1 ARG 17 5.105 2.191 -11.221
144 HH21 ARG 17 1HH2 ARG 17 4.995 5.449 -9.839
145 HH22 ARG 17 2HH2 ARG 17 4.322 4.410 -10.999
146 H SER 18 HN SER 18 9.280 3.135 -4.172
147 HA SER 18 HA SER 18 9.419 0.351 -3.624
148 HB2 SER 18 2HB SER 18 11.535 2.494 -3.340
149 HB3 SER 18 1HB SER 18 11.809 0.750 -3.298
150 HG SER 18 HG SER 18 10.518 0.959 -5.415
151 H ASN 19 HN ASN 19 9.102 3.247 -1.739
152 HA ASN 19 HA ASN 19 9.613 1.984 0.791
153 HB2 ASN 19 2HB ASN 19 8.156 4.536 0.057
154 HB3 ASN 19 1HB ASN 19 8.182 3.940 1.707
155 HD21 ASN 19 1HD2 ASN 19 9.255 5.831 2.387
156 HD22 ASN 19 2HD2 ASN 19 10.918 6.079 2.045
157 H CYS 20 HN CYS 20 6.820 2.682 -1.174
158 HA CYS 20 HA CYS 20 4.812 1.718 0.528
159 HB2 CYS 20 2HB CYS 20 4.543 3.140 -1.566
160 HB3 CYS 20 1HB CYS 20 4.806 1.684 -2.506
161 H ALA 21 HN ALA 21 6.561 0.088 -2.126
162 HA ALA 21 HA ALA 21 5.414 -2.428 -1.749
163 HB1 ALA 21 1HB ALA 21 8.148 -1.767 -2.841
164 HB2 ALA 21 2HB ALA 21 6.652 -1.788 -3.773
165 HB3 ALA 21 3HB ALA 21 7.276 -3.282 -3.072
166 H ASN 22 HN ASN 22 8.335 -0.965 -0.362
167 HA ASN 22 HA ASN 22 9.332 -3.197 0.973
168 HB2 ASN 22 2HB ASN 22 10.692 -1.244 0.672
169 HB3 ASN 22 1HB ASN 22 9.586 -0.265 1.619
170 HD21 ASN 22 1HD2 ASN 22 12.030 -2.758 1.741
171 HD22 ASN 22 2HD2 ASN 22 12.424 -2.523 3.405
172 H VAL 23 HN VAL 23 7.075 -0.736 2.222
173 HA VAL 23 HA VAL 23 7.032 -2.061 4.747
174 HB VAL 23 HB VAL 23 5.061 0.008 3.758
175 HG11 VAL 23 1HG1 VAL 23 4.272 -1.305 5.678
176 HG12 VAL 23 2HG1 VAL 23 4.598 0.353 6.160
177 HG13 VAL 23 3HG1 VAL 23 5.750 -0.922 6.554
178 HG21 VAL 23 1HG2 VAL 23 7.602 0.333 5.355
179 HG22 VAL 23 2HG2 VAL 23 6.442 1.619 5.052
180 HG23 VAL 23 3HG2 VAL 23 7.329 0.897 3.709
181 H CYS 24 HN CYS 24 4.864 -2.026 1.938
182 HA CYS 24 HA CYS 24 2.965 -3.741 3.021
183 HB2 CYS 24 2HB CYS 24 3.906 -3.369 0.176
184 HB3 CYS 24 1HB CYS 24 2.563 -4.428 0.579
185 H ARG 25 HN ARG 25 6.047 -4.422 1.466
186 HA ARG 25 HA ARG 25 5.967 -7.199 1.479
187 HB2 ARG 25 2HB ARG 25 7.695 -5.915 0.305
188 HB3 ARG 25 1HB ARG 25 8.303 -5.315 1.829
189 HG2 ARG 25 2HG ARG 25 9.753 -7.032 0.944
190 HG3 ARG 25 1HG ARG 25 9.004 -7.558 2.451
191 HD2 ARG 25 2HD ARG 25 7.381 -8.869 1.169
192 HD3 ARG 25 1HD ARG 25 8.152 -8.340 -0.329
193 HE ARG 25 HE ARG 25 10.203 -9.375 0.972
194 HH11 ARG 25 1HH1 ARG 25 6.959 -10.698 0.352
195 HH12 ARG 25 2HH1 ARG 25 7.445 -12.316 0.414
196 HH21 ARG 25 1HH2 ARG 25 10.870 -11.611 1.045
197 HH22 ARG 25 2HH2 ARG 25 9.729 -12.853 0.793
198 H THR 26 HN THR 26 7.068 -4.931 4.011
199 HA THR 26 HA THR 26 7.742 -6.997 5.800
200 HB THR 26 HB THR 26 7.752 -5.215 7.577
201 HG1 THR 26 1HG THR 26 6.281 -3.853 5.840
202 HG21 THR 26 1HG2 THR 26 9.781 -5.729 6.356
203 HG22 THR 26 2HG2 THR 26 9.686 -3.990 6.630
204 HG23 THR 26 3HG2 THR 26 9.294 -4.656 5.045
205 H GLU 27 HN GLU 27 4.655 -5.493 5.120
206 HA GLU 27 HA GLU 27 3.582 -6.808 7.456
207 HB2 GLU 27 2HB GLU 27 2.127 -5.058 5.446
208 HB3 GLU 27 1HB GLU 27 1.384 -5.791 6.866
209 HG2 GLU 27 2HG GLU 27 3.143 -4.556 8.211
210 HG3 GLU 27 1HG GLU 27 3.450 -3.635 6.744
211 H GLY 28 HN GLY 28 4.388 -7.862 4.524
212 HA2 GLY 28 2HA GLY 28 4.143 -10.183 4.027
213 HA3 GLY 28 1HA GLY 28 2.608 -10.166 4.871
214 H PHE 29 HN PHE 29 3.315 -7.702 2.520
215 HA PHE 29 HA PHE 29 1.373 -8.991 0.762
216 HB2 PHE 29 2HB PHE 29 1.839 -6.080 1.324
217 HB3 PHE 29 1HB PHE 29 0.768 -6.666 0.049
218 HD1 PHE 29 1HD PHE 29 0.969 -5.629 3.417
219 HD2 PHE 29 2HD PHE 29 -1.025 -8.351 0.851
220 HE1 PHE 29 1HE PHE 29 -0.872 -5.793 5.039
221 HE2 PHE 29 2HE PHE 29 -2.878 -8.519 2.426
222 HZ PHE 29 HZ PHE 29 -2.811 -7.238 4.553
223 HA PRO 30 HA PRO 30 4.394 -9.159 -2.416
224 HB2 PRO 30 2HB PRO 30 2.806 -9.291 -4.600
225 HB3 PRO 30 1HB PRO 30 2.977 -10.625 -3.455
226 HG2 PRO 30 2HG PRO 30 0.820 -8.556 -3.637
227 HG3 PRO 30 1HG PRO 30 0.660 -10.306 -3.410
228 HD2 PRO 30 2HD PRO 30 0.478 -8.575 -1.357
229 HD3 PRO 30 1HD PRO 30 1.194 -10.187 -1.162
230 H GLY 31 HN GLY 31 2.245 -6.415 -2.309
231 HA2 GLY 31 2HA GLY 31 4.230 -4.718 -3.402
232 HA3 GLY 31 1HA GLY 31 3.008 -5.063 -4.618
233 H GLY 32 HN GLY 32 3.369 -2.482 -3.848
234 HA2 GLY 32 2HA GLY 32 0.855 -1.942 -2.485
235 HA3 GLY 32 1HA GLY 32 2.326 -1.160 -1.899
236 H ARG 33 HN ARG 33 -0.140 -0.087 -3.182
237 HA ARG 33 HA ARG 33 1.171 1.518 -5.271
238 HB2 ARG 33 2HB ARG 33 -1.600 0.333 -5.560
239 HB3 ARG 33 1HB ARG 33 -0.764 1.327 -6.733
240 HG2 ARG 33 2HG ARG 33 0.870 -0.472 -7.071
241 HG3 ARG 33 1HG ARG 33 -0.004 -1.464 -5.901
242 HD2 ARG 33 2HD ARG 33 -2.033 -1.206 -7.336
243 HD3 ARG 33 1HD ARG 33 -1.001 -0.427 -8.536
244 HE ARG 33 HE ARG 33 -0.211 -3.045 -7.603
245 HH11 ARG 33 1HH1 ARG 33 -1.674 -1.135 -10.202
246 HH12 ARG 33 2HH1 ARG 33 -1.632 -2.404 -11.346
247 HH21 ARG 33 1HH2 ARG 33 -0.179 -4.770 -9.150
248 HH22 ARG 33 2HH2 ARG 33 -0.694 -4.509 -10.749
249 H CYS 34 HN CYS 34 -0.474 3.368 -5.844
250 HA CYS 34 HA CYS 34 -1.525 4.469 -3.379
251 HB2 CYS 34 2HB CYS 34 -1.280 5.603 -6.178
252 HB3 CYS 34 1HB CYS 34 -2.034 6.465 -4.844
253 H ARG 35 HN ARG 35 -3.644 4.640 -2.916
254 HA ARG 35 HA ARG 35 -5.633 4.135 -4.969
255 HB2 ARG 35 2HB ARG 35 -5.077 1.860 -4.265
256 HB3 ARG 35 1HB ARG 35 -5.341 2.293 -2.587
257 HG2 ARG 35 2HG ARG 35 -7.200 0.992 -3.462
258 HG3 ARG 35 1HG ARG 35 -7.723 2.622 -3.041
259 HD2 ARG 35 2HD ARG 35 -8.685 1.895 -5.161
260 HD3 ARG 35 1HD ARG 35 -7.606 3.276 -5.373
261 HE ARG 35 HE ARG 35 -6.442 0.665 -5.765
262 HH11 ARG 35 1HH1 ARG 35 -7.953 3.480 -7.325
263 HH12 ARG 35 2HH1 ARG 35 -7.318 3.142 -8.874
264 HH21 ARG 35 1HH2 ARG 35 -5.582 0.217 -7.960
265 HH22 ARG 35 2HH2 ARG 35 -5.980 1.265 -9.235
266 H GLY 36 HN GLY 36 -4.972 4.616 -1.547
267 HA2 GLY 36 2HA GLY 36 -7.566 5.579 -0.948
268 HA3 GLY 36 1HA GLY 36 -6.132 5.712 0.063
269 H PHE 37 HN PHE 37 -8.290 7.579 -0.613
270 HA PHE 37 HA PHE 37 -7.535 9.675 -2.288
271 HB2 PHE 37 2HB PHE 37 -9.790 9.453 -1.445
272 HB3 PHE 37 1HB PHE 37 -9.220 9.590 0.208
273 HD1 PHE 37 1HD PHE 37 -9.419 11.510 -2.962
274 HD2 PHE 37 2HD PHE 37 -9.310 11.640 1.285
275 HE1 PHE 37 1HE PHE 37 -9.890 13.927 -3.025
276 HE2 PHE 37 2HE PHE 37 -9.771 14.051 1.228
277 HZ PHE 37 HZ PHE 37 -10.062 15.195 -0.931
278 H ARG 38 HN ARG 38 -6.581 8.862 0.942
279 HA ARG 38 HA ARG 38 -5.380 11.425 1.543
280 HB2 ARG 38 2HB ARG 38 -5.294 8.801 3.048
281 HB3 ARG 38 1HB ARG 38 -4.710 10.344 3.651
282 HG2 ARG 38 2HG ARG 38 -7.562 9.717 2.926
283 HG3 ARG 38 1HG ARG 38 -6.896 9.704 4.560
284 HD2 ARG 38 2HD ARG 38 -6.360 12.036 4.385
285 HD3 ARG 38 1HD ARG 38 -6.945 12.086 2.719
286 HE ARG 38 HE ARG 38 -9.047 11.164 4.138
287 HH11 ARG 38 1HH1 ARG 38 -6.991 14.002 4.480
288 HH12 ARG 38 2HH1 ARG 38 -8.225 15.018 5.058
289 HH21 ARG 38 1HH2 ARG 38 -10.724 12.491 4.914
290 HH22 ARG 38 2HH2 ARG 38 -10.430 14.128 5.321
291 H ARG 39 HN ARG 39 -4.455 9.352 -0.642
292 HA ARG 39 HA ARG 39 -2.521 8.811 -1.702
293 HB2 ARG 39 2HB ARG 39 -1.228 10.767 0.243
294 HB3 ARG 39 1HB ARG 39 -0.501 10.175 -1.245
295 HG2 ARG 39 2HG ARG 39 -2.098 11.341 -2.583
296 HG3 ARG 39 1HG ARG 39 -3.070 11.743 -1.168
297 HD2 ARG 39 2HD ARG 39 -1.872 13.696 -1.778
298 HD3 ARG 39 1HD ARG 39 -1.125 13.058 -0.317
299 HE ARG 39 HE ARG 39 -0.000 12.481 -2.953
300 HH11 ARG 39 1HH1 ARG 39 0.428 13.835 0.308
301 HH12 ARG 39 2HH1 ARG 39 2.019 14.374 0.052
302 HH21 ARG 39 1HH2 ARG 39 2.201 13.273 -3.317
303 HH22 ARG 39 2HH2 ARG 39 3.035 14.081 -2.077
304 H ARG 40 HN ARG 40 -3.450 7.148 0.165
305 HA ARG 40 HA ARG 40 -1.337 6.368 2.009
306 HB2 ARG 40 2HB ARG 40 -4.115 5.311 1.576
307 HB3 ARG 40 1HB ARG 40 -2.995 4.646 2.757
308 HG2 ARG 40 2HG ARG 40 -3.943 7.480 2.715
309 HG3 ARG 40 1HG ARG 40 -4.708 6.207 3.678
310 HD2 ARG 40 2HD ARG 40 -1.836 7.132 3.904
311 HD3 ARG 40 1HD ARG 40 -3.160 7.584 4.977
312 HE ARG 40 HE ARG 40 -3.216 4.914 5.126
313 HH11 ARG 40 1HH1 ARG 40 -0.544 7.207 5.548
314 HH12 ARG 40 2HH1 ARG 40 0.242 6.244 6.725
315 HH21 ARG 40 1HH2 ARG 40 -2.058 3.597 6.689
316 HH22 ARG 40 2HH2 ARG 40 -0.641 4.209 7.382
317 H CYS 41 HN CYS 41 -0.202 4.558 1.892
318 HA CYS 41 HA CYS 41 0.114 3.238 -0.615
319 HB2 CYS 41 2HB CYS 41 2.009 3.585 0.913
320 HB3 CYS 41 1HB CYS 41 1.224 2.591 2.127
321 H PHE 42 HN PHE 42 -1.266 1.851 -1.333
322 HA PHE 42 HA PHE 42 -2.679 0.144 0.539
323 HB2 PHE 42 2HB PHE 42 -3.374 1.304 -2.064
324 HB3 PHE 42 1HB PHE 42 -4.008 -0.290 -1.712
325 HD1 PHE 42 1HD PHE 42 -3.703 3.046 -0.022
326 HD2 PHE 42 2HD PHE 42 -6.101 -0.395 -0.738
327 HE1 PHE 42 1HE PHE 42 -5.574 4.044 1.274
328 HE2 PHE 42 2HE PHE 42 -7.929 0.598 0.535
329 HZ PHE 42 HZ PHE 42 -7.667 2.817 1.546
330 H CYS 43 HN CYS 43 -2.002 -1.647 0.775
331 HA CYS 43 HA CYS 43 -0.045 -2.860 -0.884
332 HB2 CYS 43 2HB CYS 43 -1.536 -3.874 1.531
333 HB3 CYS 43 1HB CYS 43 -0.115 -4.621 0.808
334 H THR 44 HN THR 44 -0.447 -4.122 -2.472
335 HA THR 44 HA THR 44 -3.172 -4.829 -3.114
336 HB THR 44 HB THR 44 -0.605 -5.202 -4.677
337 HG1 THR 44 1HG THR 44 -1.556 -2.994 -3.946
338 HG21 THR 44 1HG2 THR 44 -2.120 -5.313 -6.620
339 HG22 THR 44 2HG2 THR 44 -3.509 -5.141 -5.549
340 HG23 THR 44 3HG2 THR 44 -2.503 -6.588 -5.462
341 H THR 45 HN THR 45 -3.958 -6.786 -2.791
342 HA THR 45 HA THR 45 -2.196 -9.047 -2.399
343 HB THR 45 HB THR 45 -2.553 -7.972 -0.194
344 HG1 THR 45 1HG THR 45 -3.845 -10.009 0.623
345 HG21 THR 45 1HG2 THR 45 -4.769 -6.999 -0.571
346 HG22 THR 45 2HG2 THR 45 -4.762 -8.012 0.869
347 HG23 THR 45 3HG2 THR 45 -5.474 -8.618 -0.627
348 H HIS 46 HN HIS 46 -3.693 -11.008 -2.169
349 HA HIS 46 HA HIS 46 -6.057 -10.608 -3.853
350 HB2 HIS 46 2HB HIS 46 -4.345 -13.092 -3.586
351 HB3 HIS 46 1HB HIS 46 -5.844 -12.995 -4.504
352 HD1 HIS 46 1HD HIS 46 -5.757 -11.568 -6.743
353 HD2 HIS 46 2HD HIS 46 -2.126 -12.048 -4.784
354 HE1 HIS 46 1HE HIS 46 -4.002 -10.953 -8.400
355 H CYS 47 HN CYS 47 -7.979 -11.517 -3.235
356 HA CYS 47 HA CYS 47 -8.100 -12.368 -0.466
357 HB2 CYS 47 2HB CYS 47 -10.282 -11.557 -2.402
358 HB3 CYS 47 1HB CYS 47 -10.549 -11.995 -0.719
Start of MODEL 10
1 H1 ARG 1 1HT ARG 1 -10.582 -11.957 -5.904
2 H2 ARG 1 2HT ARG 1 -11.463 -11.608 -7.311
3 H3 ARG 1 3HT ARG 1 -11.057 -10.366 -6.230
4 HA ARG 1 HA ARG 1 -9.199 -12.013 -7.838
5 HB2 ARG 1 2HB ARG 1 -10.414 -10.211 -9.084
6 HB3 ARG 1 1HB ARG 1 -9.799 -9.044 -7.940
7 HG2 ARG 1 2HG ARG 1 -7.479 -9.698 -8.640
8 HG3 ARG 1 1HG ARG 1 -8.210 -10.649 -9.934
9 HD2 ARG 1 2HD ARG 1 -8.440 -7.683 -9.482
10 HD3 ARG 1 1HD ARG 1 -7.608 -8.497 -10.807
11 HE ARG 1 HE ARG 1 -10.039 -9.415 -11.157
12 HH11 ARG 1 1HH1 ARG 1 -9.041 -6.068 -10.397
13 HH12 ARG 1 2HH1 ARG 1 -10.320 -5.355 -11.238
14 HH21 ARG 1 1HH2 ARG 1 -11.847 -8.385 -12.252
15 HH22 ARG 1 2HH2 ARG 1 -11.944 -6.683 -12.302
16 H THR 2 HN THR 2 -9.041 -8.779 -6.358
17 HA THR 2 HA THR 2 -6.925 -9.678 -4.616
18 HB THR 2 HB THR 2 -5.881 -7.399 -5.238
19 HG1 THR 2 1HG THR 2 -6.404 -7.051 -7.591
20 HG21 THR 2 1HG2 THR 2 -4.651 -8.367 -7.156
21 HG22 THR 2 2HG2 THR 2 -5.852 -9.657 -7.263
22 HG23 THR 2 3HG2 THR 2 -4.821 -9.529 -5.840
23 H CYS 3 HN CYS 3 -6.510 -7.868 -3.061
24 HA CYS 3 HA CYS 3 -8.809 -6.180 -2.564
25 HB2 CYS 3 2HB CYS 3 -7.701 -8.318 -0.803
26 HB3 CYS 3 1HB CYS 3 -8.506 -6.910 -0.047
27 H GLN 4 HN GLN 4 -8.247 -4.322 -1.468
28 HA GLN 4 HA GLN 4 -5.361 -3.892 -1.267
29 HB2 GLN 4 2HB GLN 4 -7.623 -1.986 -1.799
30 HB3 GLN 4 1HB GLN 4 -6.051 -1.400 -1.298
31 HG2 GLN 4 2HG GLN 4 -5.060 -2.533 -3.267
32 HG3 GLN 4 1HG GLN 4 -6.686 -2.986 -3.778
33 HE21 GLN 4 1HE2 GLN 4 -8.037 -1.411 -4.549
34 HE22 GLN 4 2HE2 GLN 4 -7.498 0.144 -5.050
35 H SER 5 HN SER 5 -4.539 -3.838 0.610
36 HA SER 5 HA SER 5 -6.272 -3.338 2.905
37 HB2 SER 5 2HB SER 5 -3.668 -4.859 2.746
38 HB3 SER 5 1HB SER 5 -4.739 -4.740 4.146
39 HG SER 5 HG SER 5 -6.367 -5.584 2.558
40 H GLN 6 HN GLN 6 -5.675 -1.774 4.327
41 HA GLN 6 HA GLN 6 -3.937 0.272 3.501
42 HB2 GLN 6 2HB GLN 6 -5.777 0.773 4.955
43 HB3 GLN 6 1HB GLN 6 -5.173 -0.339 6.179
44 HG2 GLN 6 2HG GLN 6 -4.724 1.913 6.886
45 HG3 GLN 6 1HG GLN 6 -3.205 1.122 6.480
46 HE21 GLN 6 1HE2 GLN 6 -2.095 2.992 6.096
47 HE22 GLN 6 2HE2 GLN 6 -2.426 4.023 4.768
48 H SER 7 HN SER 7 -1.812 0.472 3.692
49 HA SER 7 HA SER 7 -0.228 -1.369 5.161
50 HB2 SER 7 2HB SER 7 0.545 1.309 3.985
51 HB3 SER 7 1HB SER 7 1.590 -0.095 4.247
52 HG SER 7 HG SER 7 0.832 -0.994 2.434
53 H HIS 8 HN HIS 8 -0.509 -1.233 7.344
54 HA HIS 8 HA HIS 8 -1.421 1.175 8.586
55 HB2 HIS 8 2HB HIS 8 -0.636 -1.450 9.830
56 HB3 HIS 8 1HB HIS 8 -1.441 -0.132 10.671
57 HD1 HIS 8 1HD HIS 8 -2.167 -3.193 8.852
58 HD2 HIS 8 2HD HIS 8 -4.059 0.463 9.457
59 HE1 HIS 8 1HE HIS 8 -4.589 -3.567 8.292
60 H ARG 9 HN ARG 9 1.638 -0.358 8.301
61 HA ARG 9 HA ARG 9 2.787 1.429 10.332
62 HB2 ARG 9 2HB ARG 9 4.748 0.024 10.227
63 HB3 ARG 9 1HB ARG 9 3.325 -0.992 10.383
64 HG2 ARG 9 2HG ARG 9 3.403 -1.341 7.909
65 HG3 ARG 9 1HG ARG 9 4.934 -0.484 7.895
66 HD2 ARG 9 2HD ARG 9 4.292 -3.046 9.332
67 HD3 ARG 9 1HD ARG 9 5.354 -2.851 7.952
68 HE ARG 9 HE ARG 9 6.384 -1.207 9.865
69 HH11 ARG 9 1HH1 ARG 9 5.741 -4.701 9.587
70 HH12 ARG 9 2HH1 ARG 9 6.871 -5.119 10.781
71 HH21 ARG 9 1HH2 ARG 9 7.941 -1.812 11.464
72 HH22 ARG 9 2HH2 ARG 9 8.158 -3.464 11.871
73 H PHE 10 HN PHE 10 1.894 2.122 7.496
74 HA PHE 10 HA PHE 10 4.355 2.724 6.131
75 HB2 PHE 10 2HB PHE 10 2.409 1.953 4.866
76 HB3 PHE 10 1HB PHE 10 1.485 3.347 5.410
77 HD1 PHE 10 1HD PHE 10 4.409 2.305 3.429
78 HD2 PHE 10 2HD PHE 10 1.615 5.406 4.234
79 HE1 PHE 10 1HE PHE 10 5.235 3.539 1.524
80 HE2 PHE 10 2HE PHE 10 2.451 6.653 2.317
81 HZ PHE 10 HZ PHE 10 4.276 5.729 0.950
82 H ARG 11 HN ARG 11 5.438 4.539 6.374
83 HA ARG 11 HA ARG 11 4.018 6.841 7.467
84 HB2 ARG 11 2HB ARG 11 6.198 7.686 8.231
85 HB3 ARG 11 1HB ARG 11 5.712 6.181 8.988
86 HG2 ARG 11 2HG ARG 11 7.262 4.949 7.697
87 HG3 ARG 11 1HG ARG 11 7.641 6.364 6.699
88 HD2 ARG 11 2HD ARG 11 7.915 6.325 9.626
89 HD3 ARG 11 1HD ARG 11 9.264 5.781 8.595
90 HE ARG 11 HE ARG 11 8.425 8.297 7.737
91 HH11 ARG 11 1HH1 ARG 11 9.853 6.960 10.680
92 HH12 ARG 11 2HH1 ARG 11 10.723 8.378 11.071
93 HH21 ARG 11 1HH2 ARG 11 9.660 10.246 8.268
94 HH22 ARG 11 2HH2 ARG 11 10.598 10.274 9.684
95 H GLY 12 HN GLY 12 4.181 8.772 6.486
96 HA2 GLY 12 2HA GLY 12 4.978 10.335 4.953
97 HA3 GLY 12 1HA GLY 12 5.883 9.056 4.149
98 HA PRO 13 HA PRO 13 1.999 9.538 1.740
99 HB2 PRO 13 2HB PRO 13 2.912 10.803 -0.425
100 HB3 PRO 13 1HB PRO 13 2.485 11.703 1.029
101 HG2 PRO 13 2HG PRO 13 5.163 11.020 -0.050
102 HG3 PRO 13 1HG PRO 13 4.659 12.430 0.892
103 HD2 PRO 13 2HD PRO 13 5.979 10.121 1.871
104 HD3 PRO 13 1HD PRO 13 5.245 11.414 2.839
105 H CYS 14 HN CYS 14 1.468 8.340 -0.188
106 HA CYS 14 HA CYS 14 3.099 6.096 -0.645
107 HB2 CYS 14 2HB CYS 14 0.626 6.077 -0.851
108 HB3 CYS 14 1HB CYS 14 0.756 7.057 -2.304
109 H LEU 15 HN LEU 15 3.438 9.195 -1.813
110 HA LEU 15 HA LEU 15 4.197 9.015 -4.489
111 HB2 LEU 15 2HB LEU 15 5.494 10.683 -2.331
112 HB3 LEU 15 1HB LEU 15 5.648 10.953 -4.052
113 HG LEU 15 HG LEU 15 3.113 11.237 -2.440
114 HD11 LEU 15 1HD1 LEU 15 4.734 12.993 -1.990
115 HD12 LEU 15 2HD1 LEU 15 3.359 13.612 -2.903
116 HD13 LEU 15 3HD1 LEU 15 4.890 13.300 -3.720
117 HD21 LEU 15 1HD2 LEU 15 2.179 12.188 -4.508
118 HD22 LEU 15 2HD2 LEU 15 2.624 10.496 -4.701
119 HD23 LEU 15 3HD2 LEU 15 3.661 11.760 -5.361
120 H ARG 16 HN ARG 16 5.924 8.238 -1.562
121 HA ARG 16 HA ARG 16 8.274 7.379 -3.027
122 HB2 ARG 16 2HB ARG 16 7.654 7.102 -0.069
123 HB3 ARG 16 1HB ARG 16 9.216 6.867 -0.833
124 HG2 ARG 16 2HG ARG 16 9.287 9.243 -1.410
125 HG3 ARG 16 1HG ARG 16 7.719 9.472 -0.641
126 HD2 ARG 16 2HD ARG 16 8.708 8.685 1.498
127 HD3 ARG 16 1HD ARG 16 10.277 8.598 0.699
128 HE ARG 16 HE ARG 16 9.066 11.151 0.411
129 HH11 ARG 16 1HH1 ARG 16 10.977 9.198 2.686
130 HH12 ARG 16 2HH1 ARG 16 11.555 10.528 3.563
131 HH21 ARG 16 1HH2 ARG 16 9.882 12.987 1.639
132 HH22 ARG 16 2HH2 ARG 16 10.920 12.715 2.971
133 H ARG 17 HN ARG 17 7.192 5.769 -4.273
134 HA ARG 17 HA ARG 17 5.677 3.753 -3.013
135 HB2 ARG 17 2HB ARG 17 6.757 3.925 -5.807
136 HB3 ARG 17 1HB ARG 17 5.880 2.520 -5.224
137 HG2 ARG 17 2HG ARG 17 3.939 3.886 -4.745
138 HG3 ARG 17 1HG ARG 17 4.812 5.332 -5.257
139 HD2 ARG 17 2HD ARG 17 4.261 2.951 -7.015
140 HD3 ARG 17 1HD ARG 17 3.283 4.416 -6.978
141 HE ARG 17 HE ARG 17 5.224 5.636 -7.697
142 HH11 ARG 17 1HH1 ARG 17 5.402 2.109 -8.179
143 HH12 ARG 17 2HH1 ARG 17 6.393 2.225 -9.557
144 HH21 ARG 17 1HH2 ARG 17 6.628 5.744 -9.556
145 HH22 ARG 17 2HH2 ARG 17 7.130 4.313 -10.337
146 H SER 18 HN SER 18 9.018 4.128 -3.293
147 HA SER 18 HA SER 18 9.770 1.434 -3.126
148 HB2 SER 18 2HB SER 18 11.825 2.452 -1.990
149 HB3 SER 18 1HB SER 18 11.461 3.039 -3.612
150 HG SER 18 HG SER 18 11.831 4.498 -1.563
151 H ASN 19 HN ASN 19 8.748 3.829 -0.769
152 HA ASN 19 HA ASN 19 9.090 2.292 1.599
153 HB2 ASN 19 2HB ASN 19 7.150 4.545 0.989
154 HB3 ASN 19 1HB ASN 19 7.358 3.835 2.578
155 HD21 ASN 19 1HD2 ASN 19 7.887 5.835 3.411
156 HD22 ASN 19 2HD2 ASN 19 9.412 6.572 3.140
157 H CYS 20 HN CYS 20 6.380 2.970 -0.504
158 HA CYS 20 HA CYS 20 4.360 1.554 0.754
159 HB2 CYS 20 2HB CYS 20 4.028 3.148 -1.115
160 HB3 CYS 20 1HB CYS 20 4.773 1.999 -2.215
161 H ALA 21 HN ALA 21 6.447 0.432 -1.914
162 HA ALA 21 HA ALA 21 5.503 -2.214 -1.917
163 HB1 ALA 21 1HB ALA 21 8.147 -1.104 -2.856
164 HB2 ALA 21 2HB ALA 21 6.672 -1.239 -3.821
165 HB3 ALA 21 3HB ALA 21 7.500 -2.692 -3.256
166 H ASN 22 HN ASN 22 8.202 -0.656 -0.208
167 HA ASN 22 HA ASN 22 9.425 -2.968 0.809
168 HB2 ASN 22 2HB ASN 22 10.466 -0.736 0.921
169 HB3 ASN 22 1HB ASN 22 9.240 -0.219 2.066
170 HD21 ASN 22 1HD2 ASN 22 9.415 -0.851 4.221
171 HD22 ASN 22 2HD2 ASN 22 10.824 -1.624 4.826
172 H VAL 23 HN VAL 23 6.971 -0.876 2.250
173 HA VAL 23 HA VAL 23 6.634 -2.274 4.641
174 HB VAL 23 HB VAL 23 4.713 -0.493 3.106
175 HG11 VAL 23 1HG1 VAL 23 4.441 -1.580 5.911
176 HG12 VAL 23 2HG1 VAL 23 3.383 -1.945 4.544
177 HG13 VAL 23 3HG1 VAL 23 3.444 -0.309 5.208
178 HG21 VAL 23 1HG2 VAL 23 5.299 1.129 4.858
179 HG22 VAL 23 2HG2 VAL 23 6.694 0.623 3.903
180 HG23 VAL 23 3HG2 VAL 23 6.448 -0.032 5.521
181 H CYS 24 HN CYS 24 4.709 -2.416 1.674
182 HA CYS 24 HA CYS 24 3.031 -4.445 2.526
183 HB2 CYS 24 2HB CYS 24 3.875 -3.537 -0.197
184 HB3 CYS 24 1HB CYS 24 2.599 -4.720 0.020
185 H ARG 25 HN ARG 25 6.126 -4.671 0.837
186 HA ARG 25 HA ARG 25 6.045 -7.432 0.324
187 HB2 ARG 25 2HB ARG 25 7.530 -5.748 -0.743
188 HB3 ARG 25 1HB ARG 25 8.436 -5.661 0.753
189 HG2 ARG 25 2HG ARG 25 9.117 -7.970 0.503
190 HG3 ARG 25 1HG ARG 25 8.137 -8.110 -0.964
191 HD2 ARG 25 2HD ARG 25 10.504 -6.286 -0.541
192 HD3 ARG 25 1HD ARG 25 10.421 -7.706 -1.591
193 HE ARG 25 HE ARG 25 8.425 -6.227 -2.531
194 HH11 ARG 25 1HH1 ARG 25 11.833 -5.385 -1.937
195 HH12 ARG 25 2HH1 ARG 25 11.864 -4.131 -3.077
196 HH21 ARG 25 1HH2 ARG 25 8.490 -4.494 -4.124
197 HH22 ARG 25 2HH2 ARG 25 9.930 -3.606 -4.327
198 H THR 26 HN THR 26 7.377 -5.555 3.056
199 HA THR 26 HA THR 26 8.426 -7.910 4.248
200 HB THR 26 HB THR 26 9.434 -5.627 4.631
201 HG1 THR 26 1HG THR 26 8.679 -7.135 6.930
202 HG21 THR 26 1HG2 THR 26 7.084 -5.257 6.505
203 HG22 THR 26 2HG2 THR 26 7.367 -4.353 5.022
204 HG23 THR 26 3HG2 THR 26 8.476 -4.179 6.381
205 H GLU 27 HN GLU 27 5.378 -6.241 4.424
206 HA GLU 27 HA GLU 27 4.505 -7.635 6.763
207 HB2 GLU 27 2HB GLU 27 2.984 -5.997 4.731
208 HB3 GLU 27 1HB GLU 27 2.255 -6.691 6.176
209 HG2 GLU 27 2HG GLU 27 4.519 -4.718 6.159
210 HG3 GLU 27 1HG GLU 27 2.823 -4.306 6.378
211 H GLY 28 HN GLY 28 4.934 -8.588 3.593
212 HA2 GLY 28 2HA GLY 28 4.755 -10.936 3.117
213 HA3 GLY 28 1HA GLY 28 3.353 -11.003 4.167
214 H PHE 29 HN PHE 29 3.418 -8.343 2.044
215 HA PHE 29 HA PHE 29 1.351 -9.632 0.457
216 HB2 PHE 29 2HB PHE 29 1.985 -6.709 0.899
217 HB3 PHE 29 1HB PHE 29 0.694 -7.302 -0.142
218 HD1 PHE 29 1HD PHE 29 -0.981 -8.907 0.977
219 HD2 PHE 29 2HD PHE 29 1.508 -6.223 3.113
220 HE1 PHE 29 1HE PHE 29 -2.518 -9.017 2.863
221 HE2 PHE 29 2HE PHE 29 -0.025 -6.318 5.039
222 HZ PHE 29 HZ PHE 29 -2.051 -7.716 4.923
223 HA PRO 30 HA PRO 30 3.949 -9.803 -3.059
224 HB2 PRO 30 2HB PRO 30 2.145 -9.478 -5.089
225 HB3 PRO 30 1HB PRO 30 2.331 -10.968 -4.163
226 HG2 PRO 30 2HG PRO 30 0.290 -8.815 -3.890
227 HG3 PRO 30 1HG PRO 30 0.095 -10.569 -3.746
228 HD2 PRO 30 2HD PRO 30 0.238 -8.912 -1.588
229 HD3 PRO 30 1HD PRO 30 0.797 -10.585 -1.548
230 H GLY 31 HN GLY 31 1.931 -6.959 -2.716
231 HA2 GLY 31 2HA GLY 31 4.019 -5.249 -3.499
232 HA3 GLY 31 1HA GLY 31 2.866 -5.419 -4.817
233 H GLY 32 HN GLY 32 3.095 -2.975 -3.932
234 HA2 GLY 32 2HA GLY 32 0.609 -2.555 -2.479
235 HA3 GLY 32 1HA GLY 32 2.075 -1.718 -1.948
236 H ARG 33 HN ARG 33 -0.426 -0.655 -3.080
237 HA ARG 33 HA ARG 33 0.748 0.801 -5.354
238 HB2 ARG 33 2HB ARG 33 -2.107 -0.191 -5.199
239 HB3 ARG 33 1HB ARG 33 -1.414 0.766 -6.493
240 HG2 ARG 33 2HG ARG 33 0.034 -1.102 -7.103
241 HG3 ARG 33 1HG ARG 33 -0.634 -2.054 -5.776
242 HD2 ARG 33 2HD ARG 33 -2.885 -1.799 -6.805
243 HD3 ARG 33 1HD ARG 33 -2.124 -0.993 -8.175
244 HE ARG 33 HE ARG 33 -1.038 -3.572 -7.548
245 HH11 ARG 33 1HH1 ARG 33 -3.491 -1.853 -9.431
246 HH12 ARG 33 2HH1 ARG 33 -3.727 -3.100 -10.555
247 HH21 ARG 33 1HH2 ARG 33 -1.377 -5.314 -9.065
248 HH22 ARG 33 2HH2 ARG 33 -2.513 -5.148 -10.327
249 H CYS 34 HN CYS 34 -0.224 2.917 -5.626
250 HA CYS 34 HA CYS 34 -1.162 4.111 -3.172
251 HB2 CYS 34 2HB CYS 34 -0.833 5.275 -5.956
252 HB3 CYS 34 1HB CYS 34 -1.124 6.197 -4.484
253 H ARG 35 HN ARG 35 -3.289 5.092 -2.990
254 HA ARG 35 HA ARG 35 -5.112 4.028 -5.014
255 HB2 ARG 35 2HB ARG 35 -5.094 2.548 -3.093
256 HB3 ARG 35 1HB ARG 35 -5.548 3.882 -2.051
257 HG2 ARG 35 2HG ARG 35 -7.684 4.064 -3.211
258 HG3 ARG 35 1HG ARG 35 -7.207 2.730 -4.268
259 HD2 ARG 35 2HD ARG 35 -7.027 1.245 -2.367
260 HD3 ARG 35 1HD ARG 35 -7.425 2.568 -1.274
261 HE ARG 35 HE ARG 35 -9.390 2.038 -3.304
262 HH11 ARG 35 1HH1 ARG 35 -8.299 1.171 -0.060
263 HH12 ARG 35 2HH1 ARG 35 -9.861 0.739 0.478
264 HH21 ARG 35 1HH2 ARG 35 -11.462 1.473 -2.574
265 HH22 ARG 35 2HH2 ARG 35 -11.710 0.922 -0.958
266 H GLY 36 HN GLY 36 -5.721 5.986 -2.058
267 HA2 GLY 36 2HA GLY 36 -7.608 7.490 -3.642
268 HA3 GLY 36 1HA GLY 36 -7.425 7.550 -1.904
269 H PHE 37 HN PHE 37 -7.852 9.794 -2.777
270 HA PHE 37 HA PHE 37 -5.911 11.389 -4.014
271 HB2 PHE 37 2HB PHE 37 -8.340 11.926 -3.788
272 HB3 PHE 37 1HB PHE 37 -8.087 12.224 -2.078
273 HD1 PHE 37 1HD PHE 37 -7.636 13.495 -5.459
274 HD2 PHE 37 2HD PHE 37 -6.906 14.252 -1.333
275 HE1 PHE 37 1HE PHE 37 -7.135 15.848 -5.980
276 HE2 PHE 37 2HE PHE 37 -6.401 16.598 -1.852
277 HZ PHE 37 HZ PHE 37 -6.513 17.401 -4.172
278 H ARG 38 HN ARG 38 -6.366 10.452 -0.646
279 HA ARG 38 HA ARG 38 -4.506 12.401 0.321
280 HB2 ARG 38 2HB ARG 38 -5.782 10.044 1.683
281 HB3 ARG 38 1HB ARG 38 -4.594 11.057 2.482
282 HG2 ARG 38 2HG ARG 38 -6.025 13.015 2.122
283 HG3 ARG 38 1HG ARG 38 -7.231 11.982 1.360
284 HD2 ARG 38 2HD ARG 38 -7.612 10.809 3.409
285 HD3 ARG 38 1HD ARG 38 -6.254 11.611 4.195
286 HE ARG 38 HE ARG 38 -8.063 13.510 3.222
287 HH11 ARG 38 1HH1 ARG 38 -7.786 11.171 5.890
288 HH12 ARG 38 2HH1 ARG 38 -8.825 12.038 6.917
289 HH21 ARG 38 1HH2 ARG 38 -9.442 14.706 4.708
290 HH22 ARG 38 2HH2 ARG 38 -9.760 14.057 6.258
291 H ARG 39 HN ARG 39 -4.040 9.759 -1.440
292 HA ARG 39 HA ARG 39 -2.192 8.720 -2.208
293 HB2 ARG 39 2HB ARG 39 -0.655 10.735 -0.569
294 HB3 ARG 39 1HB ARG 39 -0.008 9.751 -1.869
295 HG2 ARG 39 2HG ARG 39 -1.391 10.904 -3.475
296 HG3 ARG 39 1HG ARG 39 -2.158 11.834 -2.186
297 HD2 ARG 39 2HD ARG 39 0.747 11.910 -2.982
298 HD3 ARG 39 1HD ARG 39 -0.451 13.173 -3.274
299 HE ARG 39 HE ARG 39 -0.220 12.520 -0.509
300 HH11 ARG 39 1HH1 ARG 39 1.229 14.483 -3.081
301 HH12 ARG 39 2HH1 ARG 39 1.996 15.548 -2.022
302 HH21 ARG 39 1HH2 ARG 39 0.837 14.006 0.956
303 HH22 ARG 39 2HH2 ARG 39 1.804 15.249 0.323
304 H ARG 40 HN ARG 40 -3.379 7.414 -0.186
305 HA ARG 40 HA ARG 40 -1.304 6.574 1.658
306 HB2 ARG 40 2HB ARG 40 -4.140 5.668 1.215
307 HB3 ARG 40 1HB ARG 40 -3.041 4.834 2.290
308 HG2 ARG 40 2HG ARG 40 -2.872 6.863 3.658
309 HG3 ARG 40 1HG ARG 40 -4.023 7.667 2.580
310 HD2 ARG 40 2HD ARG 40 -5.747 6.140 3.125
311 HD3 ARG 40 1HD ARG 40 -4.621 5.048 3.921
312 HE ARG 40 HE ARG 40 -4.883 7.677 5.081
313 HH11 ARG 40 1HH1 ARG 40 -5.888 4.261 5.156
314 HH12 ARG 40 2HH1 ARG 40 -6.512 4.336 6.737
315 HH21 ARG 40 1HH2 ARG 40 -5.731 7.741 7.305
316 HH22 ARG 40 2HH2 ARG 40 -6.400 6.323 7.975
317 H CYS 41 HN CYS 41 -0.596 4.407 1.741
318 HA CYS 41 HA CYS 41 -0.412 3.125 -0.856
319 HB2 CYS 41 2HB CYS 41 1.715 3.474 0.257
320 HB3 CYS 41 1HB CYS 41 1.104 2.767 1.745
321 H PHE 42 HN PHE 42 -1.388 1.267 -1.233
322 HA PHE 42 HA PHE 42 -2.563 -0.147 1.013
323 HB2 PHE 42 2HB PHE 42 -3.832 0.492 -1.633
324 HB3 PHE 42 1HB PHE 42 -4.336 -0.871 -0.643
325 HD1 PHE 42 1HD PHE 42 -4.040 2.808 -0.689
326 HD2 PHE 42 2HD PHE 42 -5.771 -0.579 1.178
327 HE1 PHE 42 1HE PHE 42 -5.561 4.284 0.566
328 HE2 PHE 42 2HE PHE 42 -7.285 0.883 2.451
329 HZ PHE 42 HZ PHE 42 -7.183 3.320 2.143
330 H CYS 43 HN CYS 43 -1.807 -1.979 1.197
331 HA CYS 43 HA CYS 43 -0.130 -3.255 -0.678
332 HB2 CYS 43 2HB CYS 43 -1.455 -4.280 1.830
333 HB3 CYS 43 1HB CYS 43 -0.185 -5.117 0.941
334 H THR 44 HN THR 44 -0.730 -4.400 -2.333
335 HA THR 44 HA THR 44 -3.524 -5.015 -2.690
336 HB THR 44 HB THR 44 -1.204 -5.458 -4.585
337 HG1 THR 44 1HG THR 44 -2.154 -3.183 -3.588
338 HG21 THR 44 1HG2 THR 44 -3.342 -6.579 -5.173
339 HG22 THR 44 2HG2 THR 44 -2.964 -5.280 -6.304
340 HG23 THR 44 3HG2 THR 44 -4.175 -5.030 -5.048
341 H THR 45 HN THR 45 -4.118 -6.812 -1.734
342 HA THR 45 HA THR 45 -2.310 -9.099 -1.789
343 HB THR 45 HB THR 45 -2.861 -8.267 0.499
344 HG1 THR 45 1HG THR 45 -3.975 -10.504 1.058
345 HG21 THR 45 1HG2 THR 45 -5.128 -8.613 1.408
346 HG22 THR 45 2HG2 THR 45 -5.687 -9.089 -0.198
347 HG23 THR 45 3HG2 THR 45 -5.132 -7.442 0.088
348 H HIS 46 HN HIS 46 -3.794 -11.151 -1.505
349 HA HIS 46 HA HIS 46 -5.355 -11.180 -3.962
350 HB2 HIS 46 2HB HIS 46 -5.079 -13.662 -3.805
351 HB3 HIS 46 1HB HIS 46 -3.561 -12.780 -3.878
352 HD1 HIS 46 1HD HIS 46 -1.868 -13.298 -2.009
353 HD2 HIS 46 2HD HIS 46 -5.707 -14.622 -1.172
354 HE1 HIS 46 1HE HIS 46 -1.683 -14.608 0.106
355 H CYS 47 HN CYS 47 -7.466 -11.844 -4.079
356 HA CYS 47 HA CYS 47 -8.690 -12.855 -1.701
357 HB2 CYS 47 2HB CYS 47 -9.632 -10.435 -3.175
358 HB3 CYS 47 1HB CYS 47 -10.793 -11.459 -2.336
Start of MODEL 11
1 H1 ARG 1 1HT ARG 1 -9.139 -12.018 -7.005
2 H2 ARG 1 2HT ARG 1 -7.931 -12.104 -8.131
3 H3 ARG 1 3HT ARG 1 -9.521 -12.228 -8.645
4 HA ARG 1 HA ARG 1 -8.454 -10.104 -9.164
5 HB2 ARG 1 2HB ARG 1 -10.228 -8.586 -8.370
6 HB3 ARG 1 1HB ARG 1 -10.923 -10.097 -8.904
7 HG2 ARG 1 2HG ARG 1 -10.411 -9.480 -5.997
8 HG3 ARG 1 1HG ARG 1 -11.902 -9.032 -6.817
9 HD2 ARG 1 2HD ARG 1 -12.348 -11.374 -7.308
10 HD3 ARG 1 1HD ARG 1 -10.824 -11.842 -6.561
11 HE ARG 1 HE ARG 1 -12.480 -10.363 -4.789
12 HH11 ARG 1 1HH1 ARG 1 -11.897 -13.624 -6.059
13 HH12 ARG 1 2HH1 ARG 1 -12.732 -14.409 -4.812
14 HH21 ARG 1 1HH2 ARG 1 -13.531 -11.437 -3.050
15 HH22 ARG 1 2HH2 ARG 1 -13.673 -13.141 -3.026
16 H THR 2 HN THR 2 -7.924 -7.888 -8.162
17 HA THR 2 HA THR 2 -6.187 -8.535 -5.951
18 HB THR 2 HB THR 2 -5.182 -7.384 -7.835
19 HG1 THR 2 1HG THR 2 -4.969 -5.375 -5.947
20 HG21 THR 2 1HG2 THR 2 -7.049 -5.995 -8.596
21 HG22 THR 2 2HG2 THR 2 -5.628 -4.998 -8.286
22 HG23 THR 2 3HG2 THR 2 -6.944 -5.045 -7.115
23 H CYS 3 HN CYS 3 -6.006 -7.224 -4.258
24 HA CYS 3 HA CYS 3 -8.353 -5.684 -3.415
25 HB2 CYS 3 2HB CYS 3 -7.279 -8.109 -1.951
26 HB3 CYS 3 1HB CYS 3 -8.385 -6.948 -1.208
27 H GLN 4 HN GLN 4 -7.858 -4.055 -2.039
28 HA GLN 4 HA GLN 4 -5.037 -3.802 -1.293
29 HB2 GLN 4 2HB GLN 4 -6.916 -1.746 -2.418
30 HB3 GLN 4 1HB GLN 4 -5.438 -1.292 -1.606
31 HG2 GLN 4 2HG GLN 4 -5.010 -1.219 -3.902
32 HG3 GLN 4 1HG GLN 4 -4.192 -2.656 -3.307
33 HE21 GLN 4 1HE2 GLN 4 -7.655 -2.433 -3.993
34 HE22 GLN 4 2HE2 GLN 4 -7.617 -3.486 -5.349
35 H SER 5 HN SER 5 -4.679 -3.538 0.776
36 HA SER 5 HA SER 5 -6.855 -2.520 2.479
37 HB2 SER 5 2HB SER 5 -6.423 -4.963 2.788
38 HB3 SER 5 1HB SER 5 -4.751 -4.598 3.189
39 HG SER 5 HG SER 5 -6.809 -3.360 4.645
40 H GLN 6 HN GLN 6 -6.337 -0.853 3.794
41 HA GLN 6 HA GLN 6 -4.251 0.890 3.331
42 HB2 GLN 6 2HB GLN 6 -6.270 1.574 4.405
43 HB3 GLN 6 1HB GLN 6 -5.986 0.489 5.755
44 HG2 GLN 6 2HG GLN 6 -5.602 2.772 6.443
45 HG3 GLN 6 1HG GLN 6 -4.073 1.903 6.435
46 HE21 GLN 6 1HE2 GLN 6 -2.493 2.557 5.060
47 HE22 GLN 6 2HE2 GLN 6 -2.577 3.979 4.104
48 H SER 7 HN SER 7 -2.183 0.845 3.781
49 HA SER 7 HA SER 7 -1.069 -1.085 5.606
50 HB2 SER 7 2HB SER 7 0.028 -0.383 3.425
51 HB3 SER 7 1HB SER 7 0.323 1.193 4.154
52 HG SER 7 HG SER 7 1.818 -0.899 4.265
53 H HIS 8 HN HIS 8 -0.870 -0.705 7.709
54 HA HIS 8 HA HIS 8 -1.697 1.816 8.805
55 HB2 HIS 8 2HB HIS 8 -0.592 -0.599 10.234
56 HB3 HIS 8 1HB HIS 8 -1.426 0.751 10.979
57 HD1 HIS 8 1HD HIS 8 -4.110 0.934 10.204
58 HD2 HIS 8 2HD HIS 8 -2.130 -2.665 9.564
59 HE1 HIS 8 1HE HIS 8 -5.901 -0.791 9.928
60 H ARG 9 HN ARG 9 1.260 -0.054 8.672
61 HA ARG 9 HA ARG 9 2.618 1.947 10.264
62 HB2 ARG 9 2HB ARG 9 4.539 0.403 10.266
63 HB3 ARG 9 1HB ARG 9 3.062 -0.316 10.872
64 HG2 ARG 9 2HG ARG 9 2.755 -1.493 8.765
65 HG3 ARG 9 1HG ARG 9 4.224 -0.745 8.133
66 HD2 ARG 9 2HD ARG 9 4.637 -3.021 8.945
67 HD3 ARG 9 1HD ARG 9 5.546 -1.822 9.869
68 HE ARG 9 HE ARG 9 2.979 -2.586 10.958
69 HH11 ARG 9 1HH1 ARG 9 6.472 -3.247 10.996
70 HH12 ARG 9 2HH1 ARG 9 6.446 -3.979 12.529
71 HH21 ARG 9 1HH2 ARG 9 2.984 -3.579 13.089
72 HH22 ARG 9 2HH2 ARG 9 4.448 -4.178 13.722
73 H PHE 10 HN PHE 10 1.822 2.357 7.355
74 HA PHE 10 HA PHE 10 4.455 2.916 6.258
75 HB2 PHE 10 2HB PHE 10 2.789 1.931 4.721
76 HB3 PHE 10 1HB PHE 10 1.725 3.307 5.001
77 HD1 PHE 10 1HD PHE 10 4.968 2.287 3.576
78 HD2 PHE 10 2HD PHE 10 2.035 5.354 3.830
79 HE1 PHE 10 1HE PHE 10 6.095 3.511 1.783
80 HE2 PHE 10 2HE PHE 10 3.153 6.579 2.034
81 HZ PHE 10 HZ PHE 10 5.188 5.669 1.001
82 H ARG 11 HN ARG 11 5.214 4.929 5.918
83 HA ARG 11 HA ARG 11 3.698 7.145 7.056
84 HB2 ARG 11 2HB ARG 11 5.903 7.996 7.914
85 HB3 ARG 11 1HB ARG 11 5.273 6.571 8.727
86 HG2 ARG 11 2HG ARG 11 6.805 5.158 7.456
87 HG3 ARG 11 1HG ARG 11 7.422 6.581 6.614
88 HD2 ARG 11 2HD ARG 11 8.206 7.504 8.693
89 HD3 ARG 11 1HD ARG 11 7.493 6.148 9.572
90 HE ARG 11 HE ARG 11 9.081 4.763 8.119
91 HH11 ARG 11 1HH1 ARG 11 9.899 8.011 9.347
92 HH12 ARG 11 2HH1 ARG 11 11.550 7.676 9.462
93 HH21 ARG 11 1HH2 ARG 11 11.383 4.345 8.311
94 HH22 ARG 11 2HH2 ARG 11 12.405 5.591 8.877
95 H GLY 12 HN GLY 12 3.434 8.721 5.615
96 HA2 GLY 12 2HA GLY 12 4.499 10.423 4.287
97 HA3 GLY 12 1HA GLY 12 5.589 9.184 3.676
98 HA PRO 13 HA PRO 13 2.163 9.471 0.661
99 HB2 PRO 13 2HB PRO 13 3.575 10.255 -1.496
100 HB3 PRO 13 1HB PRO 13 2.978 11.403 -0.295
101 HG2 PRO 13 2HG PRO 13 5.732 10.422 -0.758
102 HG3 PRO 13 1HG PRO 13 5.188 11.957 -0.068
103 HD2 PRO 13 2HD PRO 13 6.115 9.666 1.341
104 HD3 PRO 13 1HD PRO 13 5.406 11.135 2.036
105 H CYS 14 HN CYS 14 1.546 7.757 -0.461
106 HA CYS 14 HA CYS 14 3.088 5.397 -0.710
107 HB2 CYS 14 2HB CYS 14 1.184 4.528 -1.976
108 HB3 CYS 14 1HB CYS 14 0.666 5.365 -0.514
109 H LEU 15 HN LEU 15 3.160 8.156 -2.554
110 HA LEU 15 HA LEU 15 3.359 7.212 -5.185
111 HB2 LEU 15 2HB LEU 15 4.508 9.666 -3.895
112 HB3 LEU 15 1HB LEU 15 4.561 9.359 -5.621
113 HG LEU 15 HG LEU 15 2.045 9.675 -3.984
114 HD11 LEU 15 1HD1 LEU 15 3.273 11.767 -4.180
115 HD12 LEU 15 2HD1 LEU 15 1.806 11.803 -5.158
116 HD13 LEU 15 3HD1 LEU 15 3.372 11.559 -5.928
117 HD21 LEU 15 1HD2 LEU 15 2.472 9.376 -6.958
118 HD22 LEU 15 2HD2 LEU 15 0.942 9.775 -6.187
119 HD23 LEU 15 3HD2 LEU 15 1.688 8.208 -5.890
120 H ARG 16 HN ARG 16 5.608 7.173 -2.574
121 HA ARG 16 HA ARG 16 7.751 6.423 -4.357
122 HB2 ARG 16 2HB ARG 16 7.663 6.225 -1.328
123 HB3 ARG 16 1HB ARG 16 9.088 6.028 -2.334
124 HG2 ARG 16 2HG ARG 16 7.566 8.547 -1.720
125 HG3 ARG 16 1HG ARG 16 9.255 8.174 -1.383
126 HD2 ARG 16 2HD ARG 16 7.990 8.690 -4.071
127 HD3 ARG 16 1HD ARG 16 9.150 9.713 -3.234
128 HE ARG 16 HE ARG 16 10.640 7.618 -3.498
129 HH11 ARG 16 1HH1 ARG 16 8.367 8.938 -5.886
130 HH12 ARG 16 2HH1 ARG 16 9.159 8.292 -7.231
131 HH21 ARG 16 1HH2 ARG 16 11.763 6.734 -5.384
132 HH22 ARG 16 2HH2 ARG 16 11.151 7.030 -6.943
133 H ARG 17 HN ARG 17 7.075 4.737 -5.404
134 HA ARG 17 HA ARG 17 5.325 2.781 -4.547
135 HB2 ARG 17 2HB ARG 17 5.838 3.384 -6.904
136 HB3 ARG 17 1HB ARG 17 7.356 2.517 -6.757
137 HG2 ARG 17 2HG ARG 17 5.621 1.200 -7.903
138 HG3 ARG 17 1HG ARG 17 6.170 0.431 -6.412
139 HD2 ARG 17 2HD ARG 17 3.678 0.406 -6.754
140 HD3 ARG 17 1HD ARG 17 4.212 1.114 -5.234
141 HE ARG 17 HE ARG 17 3.673 2.859 -7.518
142 HH11 ARG 17 1HH1 ARG 17 2.634 1.657 -4.346
143 HH12 ARG 17 2HH1 ARG 17 1.711 3.041 -3.973
144 HH21 ARG 17 1HH2 ARG 17 2.387 4.707 -7.020
145 HH22 ARG 17 2HH2 ARG 17 1.516 4.835 -5.564
146 H SER 18 HN SER 18 8.824 2.742 -4.638
147 HA SER 18 HA SER 18 9.109 0.040 -3.933
148 HB2 SER 18 2HB SER 18 11.068 2.300 -3.529
149 HB3 SER 18 1HB SER 18 11.445 0.575 -3.626
150 HG SER 18 HG SER 18 10.738 2.378 -5.624
151 H ASN 19 HN ASN 19 8.862 2.999 -2.018
152 HA ASN 19 HA ASN 19 9.529 1.759 0.472
153 HB2 ASN 19 2HB ASN 19 8.107 4.358 -0.140
154 HB3 ASN 19 1HB ASN 19 8.487 3.827 1.492
155 HD21 ASN 19 1HD2 ASN 19 10.584 3.892 2.193
156 HD22 ASN 19 2HD2 ASN 19 11.842 4.715 1.364
157 H CYS 20 HN CYS 20 6.543 2.640 -1.113
158 HA CYS 20 HA CYS 20 4.701 1.796 0.827
159 HB2 CYS 20 2HB CYS 20 4.141 3.222 -1.103
160 HB3 CYS 20 1HB CYS 20 4.505 1.913 -2.202
161 H ALA 21 HN ALA 21 6.063 0.088 -1.994
162 HA ALA 21 HA ALA 21 4.793 -2.369 -1.480
163 HB1 ALA 21 1HB ALA 21 7.324 -1.853 -3.039
164 HB2 ALA 21 2HB ALA 21 5.688 -1.762 -3.689
165 HB3 ALA 21 3HB ALA 21 6.326 -3.305 -3.119
166 H ASN 22 HN ASN 22 7.964 -1.072 -0.546
167 HA ASN 22 HA ASN 22 9.021 -3.413 0.521
168 HB2 ASN 22 2HB ASN 22 10.475 -1.530 0.190
169 HB3 ASN 22 1HB ASN 22 9.541 -0.544 1.303
170 HD21 ASN 22 1HD2 ASN 22 10.024 -0.601 3.445
171 HD22 ASN 22 2HD2 ASN 22 11.237 -1.615 4.131
172 H VAL 23 HN VAL 23 7.130 -0.917 2.174
173 HA VAL 23 HA VAL 23 7.205 -2.179 4.694
174 HB VAL 23 HB VAL 23 5.139 -0.244 3.569
175 HG11 VAL 23 1HG1 VAL 23 4.192 -1.496 5.456
176 HG12 VAL 23 2HG1 VAL 23 4.491 0.179 5.909
177 HG13 VAL 23 3HG1 VAL 23 5.599 -1.088 6.435
178 HG21 VAL 23 1HG2 VAL 23 7.367 0.714 3.677
179 HG22 VAL 23 2HG2 VAL 23 7.534 0.190 5.350
180 HG23 VAL 23 3HG2 VAL 23 6.353 1.428 4.935
181 H CYS 24 HN CYS 24 4.759 -2.228 2.104
182 HA CYS 24 HA CYS 24 3.115 -4.037 3.454
183 HB2 CYS 24 2HB CYS 24 3.335 -3.291 0.560
184 HB3 CYS 24 1HB CYS 24 2.117 -4.424 1.132
185 H ARG 25 HN ARG 25 5.825 -4.611 1.301
186 HA ARG 25 HA ARG 25 5.346 -7.378 1.056
187 HB2 ARG 25 2HB ARG 25 6.673 -6.106 -0.568
188 HB3 ARG 25 1HB ARG 25 7.912 -5.850 0.647
189 HG2 ARG 25 2HG ARG 25 8.472 -8.165 0.668
190 HG3 ARG 25 1HG ARG 25 7.067 -8.556 -0.330
191 HD2 ARG 25 2HD ARG 25 9.368 -6.814 -1.189
192 HD3 ARG 25 1HD ARG 25 9.161 -8.511 -1.632
193 HE ARG 25 HE ARG 25 6.926 -7.654 -2.572
194 HH11 ARG 25 1HH1 ARG 25 9.893 -5.729 -2.605
195 HH12 ARG 25 2HH1 ARG 25 9.537 -4.947 -4.065
196 HH21 ARG 25 1HH2 ARG 25 6.443 -6.607 -4.527
197 HH22 ARG 25 2HH2 ARG 25 7.501 -5.454 -5.219
198 H THR 26 HN THR 26 7.348 -5.492 3.327
199 HA THR 26 HA THR 26 8.373 -7.853 4.532
200 HB THR 26 HB THR 26 9.471 -5.531 4.783
201 HG1 THR 26 1HG THR 26 8.957 -6.950 7.196
202 HG21 THR 26 1HG2 THR 26 8.705 -4.100 6.628
203 HG22 THR 26 2HG2 THR 26 7.328 -5.172 6.882
204 HG23 THR 26 3HG2 THR 26 7.462 -4.253 5.385
205 H GLU 27 HN GLU 27 5.436 -6.047 4.820
206 HA GLU 27 HA GLU 27 4.529 -7.492 7.114
207 HB2 GLU 27 2HB GLU 27 3.203 -5.578 5.226
208 HB3 GLU 27 1HB GLU 27 2.299 -6.428 6.475
209 HG2 GLU 27 2HG GLU 27 4.661 -4.628 6.948
210 HG3 GLU 27 1HG GLU 27 2.967 -4.188 7.182
211 H GLY 28 HN GLY 28 5.069 -8.638 4.118
212 HA2 GLY 28 2HA GLY 28 4.605 -10.907 3.660
213 HA3 GLY 28 1HA GLY 28 3.144 -10.786 4.624
214 H PHE 29 HN PHE 29 3.415 -8.192 2.519
215 HA PHE 29 HA PHE 29 1.412 -9.424 0.808
216 HB2 PHE 29 2HB PHE 29 2.179 -6.555 1.278
217 HB3 PHE 29 1HB PHE 29 1.036 -7.045 0.029
218 HD1 PHE 29 1HD PHE 29 1.634 -6.811 3.636
219 HD2 PHE 29 2HD PHE 29 -1.113 -7.794 0.573
220 HE1 PHE 29 1HE PHE 29 -0.170 -6.845 5.291
221 HE2 PHE 29 2HE PHE 29 -2.941 -7.839 2.209
222 HZ PHE 29 HZ PHE 29 -2.481 -7.359 4.580
223 HA PRO 30 HA PRO 30 4.088 -9.576 -2.824
224 HB2 PRO 30 2HB PRO 30 1.826 -8.243 -4.240
225 HB3 PRO 30 1HB PRO 30 2.694 -9.720 -4.670
226 HG2 PRO 30 2HG PRO 30 0.242 -9.828 -3.642
227 HG3 PRO 30 1HG PRO 30 1.476 -11.023 -3.195
228 HD2 PRO 30 2HD PRO 30 0.428 -8.704 -1.641
229 HD3 PRO 30 1HD PRO 30 0.955 -10.303 -1.078
230 H GLY 31 HN GLY 31 2.071 -6.635 -2.451
231 HA2 GLY 31 2HA GLY 31 4.343 -4.924 -2.440
232 HA3 GLY 31 1HA GLY 31 3.492 -4.866 -3.979
233 H GLY 32 HN GLY 32 3.185 -2.600 -3.334
234 HA2 GLY 32 2HA GLY 32 0.656 -2.313 -1.932
235 HA3 GLY 32 1HA GLY 32 2.029 -1.397 -1.312
236 H ARG 33 HN ARG 33 -0.535 -0.613 -2.664
237 HA ARG 33 HA ARG 33 0.686 1.083 -4.713
238 HB2 ARG 33 2HB ARG 33 -1.198 0.810 -6.210
239 HB3 ARG 33 1HB ARG 33 -0.537 -0.771 -5.843
240 HG2 ARG 33 2HG ARG 33 -2.356 -1.183 -4.285
241 HG3 ARG 33 1HG ARG 33 -2.999 0.430 -4.597
242 HD2 ARG 33 2HD ARG 33 -4.242 -1.173 -5.910
243 HD3 ARG 33 1HD ARG 33 -3.258 -0.183 -6.984
244 HE ARG 33 HE ARG 33 -1.832 -2.471 -6.283
245 HH11 ARG 33 1HH1 ARG 33 -4.695 -1.593 -8.223
246 HH12 ARG 33 2HH1 ARG 33 -4.512 -2.882 -9.311
247 HH21 ARG 33 1HH2 ARG 33 -1.597 -4.229 -7.833
248 HH22 ARG 33 2HH2 ARG 33 -2.715 -4.393 -9.091
249 H CYS 34 HN CYS 34 -1.132 2.807 -5.328
250 HA CYS 34 HA CYS 34 -1.860 4.019 -2.794
251 HB2 CYS 34 2HB CYS 34 -1.895 5.085 -5.620
252 HB3 CYS 34 1HB CYS 34 -2.349 6.011 -4.193
253 H ARG 35 HN ARG 35 -3.932 4.585 -2.267
254 HA ARG 35 HA ARG 35 -6.098 4.057 -4.095
255 HB2 ARG 35 2HB ARG 35 -5.748 1.847 -2.963
256 HB3 ARG 35 1HB ARG 35 -6.017 2.633 -1.416
257 HG2 ARG 35 2HG ARG 35 -8.298 3.193 -2.087
258 HG3 ARG 35 1HG ARG 35 -8.034 2.422 -3.648
259 HD2 ARG 35 2HD ARG 35 -7.579 0.293 -2.470
260 HD3 ARG 35 1HD ARG 35 -7.974 1.085 -0.946
261 HE ARG 35 HE ARG 35 -10.003 1.217 -2.998
262 HH11 ARG 35 1HH1 ARG 35 -8.869 -0.563 -0.140
263 HH12 ARG 35 2HH1 ARG 35 -10.372 -1.285 0.163
264 HH21 ARG 35 1HH2 ARG 35 -12.035 0.189 -2.585
265 HH22 ARG 35 2HH2 ARG 35 -12.228 -0.866 -1.256
266 H GLY 36 HN GLY 36 -5.112 4.843 -0.804
267 HA2 GLY 36 2HA GLY 36 -7.273 6.533 -0.216
268 HA3 GLY 36 1HA GLY 36 -5.698 6.546 0.574
269 H PHE 37 HN PHE 37 -7.690 8.532 -0.780
270 HA PHE 37 HA PHE 37 -6.412 9.730 -2.963
271 HB2 PHE 37 2HB PHE 37 -8.784 10.042 -2.464
272 HB3 PHE 37 1HB PHE 37 -8.375 10.932 -1.004
273 HD1 PHE 37 1HD PHE 37 -8.059 13.243 -1.085
274 HD2 PHE 37 2HD PHE 37 -8.019 10.987 -4.689
275 HE1 PHE 37 1HE PHE 37 -7.995 15.321 -2.380
276 HE2 PHE 37 2HE PHE 37 -7.962 13.060 -5.988
277 HZ PHE 37 HZ PHE 37 -7.948 15.239 -4.831
278 H ARG 38 HN ARG 38 -5.815 10.027 0.412
279 HA ARG 38 HA ARG 38 -4.346 12.507 0.188
280 HB2 ARG 38 2HB ARG 38 -4.504 10.563 2.503
281 HB3 ARG 38 1HB ARG 38 -3.831 12.182 2.562
282 HG2 ARG 38 2HG ARG 38 -6.016 13.133 2.077
283 HG3 ARG 38 1HG ARG 38 -6.713 11.517 1.980
284 HD2 ARG 38 2HD ARG 38 -7.214 12.428 4.132
285 HD3 ARG 38 1HD ARG 38 -6.017 11.157 4.345
286 HE ARG 38 HE ARG 38 -4.565 13.450 4.105
287 HH11 ARG 38 1HH1 ARG 38 -7.115 12.373 6.315
288 HH12 ARG 38 2HH1 ARG 38 -6.607 13.353 7.607
289 HH21 ARG 38 1HH2 ARG 38 -3.859 14.795 5.902
290 HH22 ARG 38 2HH2 ARG 38 -4.715 14.749 7.365
291 H ARG 39 HN ARG 39 -3.657 9.853 -1.188
292 HA ARG 39 HA ARG 39 -1.848 8.818 -2.004
293 HB2 ARG 39 2HB ARG 39 -0.264 11.000 -0.616
294 HB3 ARG 39 1HB ARG 39 0.421 9.823 -1.718
295 HG2 ARG 39 2HG ARG 39 -1.628 11.923 -2.421
296 HG3 ARG 39 1HG ARG 39 0.096 11.987 -2.778
297 HD2 ARG 39 2HD ARG 39 -0.198 9.885 -4.119
298 HD3 ARG 39 1HD ARG 39 -1.937 10.061 -3.874
299 HE ARG 39 HE ARG 39 -0.949 12.470 -4.854
300 HH11 ARG 39 1HH1 ARG 39 -1.550 9.194 -6.086
301 HH12 ARG 39 2HH1 ARG 39 -1.616 9.723 -7.713
302 HH21 ARG 39 1HH2 ARG 39 -1.080 13.116 -7.048
303 HH22 ARG 39 2HH2 ARG 39 -1.366 11.950 -8.263
304 H ARG 40 HN ARG 40 -2.954 7.658 0.043
305 HA ARG 40 HA ARG 40 -0.757 6.930 1.817
306 HB2 ARG 40 2HB ARG 40 -3.732 6.626 2.180
307 HB3 ARG 40 1HB ARG 40 -2.563 5.849 3.244
308 HG2 ARG 40 2HG ARG 40 -1.627 8.042 3.814
309 HG3 ARG 40 1HG ARG 40 -2.811 8.815 2.763
310 HD2 ARG 40 2HD ARG 40 -4.612 7.999 4.150
311 HD3 ARG 40 1HD ARG 40 -3.469 7.117 5.166
312 HE ARG 40 HE ARG 40 -2.594 9.668 5.271
313 HH11 ARG 40 1HH1 ARG 40 -5.760 8.201 5.843
314 HH12 ARG 40 2HH1 ARG 40 -6.216 9.273 7.079
315 HH21 ARG 40 1HH2 ARG 40 -3.219 11.169 7.030
316 HH22 ARG 40 2HH2 ARG 40 -4.731 10.979 7.787
317 H CYS 41 HN CYS 41 -0.266 4.783 2.249
318 HA CYS 41 HA CYS 41 -0.259 3.283 -0.215
319 HB2 CYS 41 2HB CYS 41 1.821 3.656 1.014
320 HB3 CYS 41 1HB CYS 41 1.160 2.828 2.410
321 H PHE 42 HN PHE 42 -1.368 1.546 -0.634
322 HA PHE 42 HA PHE 42 -2.684 0.141 1.556
323 HB2 PHE 42 2HB PHE 42 -3.709 0.795 -1.202
324 HB3 PHE 42 1HB PHE 42 -4.314 -0.561 -0.260
325 HD1 PHE 42 1HD PHE 42 -3.573 3.042 0.488
326 HD2 PHE 42 2HD PHE 42 -6.349 -0.173 0.647
327 HE1 PHE 42 1HE PHE 42 -5.213 4.503 1.590
328 HE2 PHE 42 2HE PHE 42 -7.983 1.287 1.744
329 HZ PHE 42 HZ PHE 42 -7.416 3.622 2.222
330 H CYS 43 HN CYS 43 -2.043 -1.794 1.757
331 HA CYS 43 HA CYS 43 -0.093 -2.954 0.093
332 HB2 CYS 43 2HB CYS 43 -1.757 -4.145 2.310
333 HB3 CYS 43 1HB CYS 43 -0.323 -4.882 1.600
334 H THR 44 HN THR 44 -0.306 -4.293 -1.537
335 HA THR 44 HA THR 44 -2.960 -4.795 -2.555
336 HB THR 44 HB THR 44 -0.226 -5.237 -3.769
337 HG1 THR 44 1HG THR 44 -1.502 -3.025 -3.182
338 HG21 THR 44 1HG2 THR 44 -1.456 -5.216 -5.895
339 HG22 THR 44 2HG2 THR 44 -2.973 -5.048 -5.013
340 HG23 THR 44 3HG2 THR 44 -2.016 -6.520 -4.850
341 H THR 45 HN THR 45 -3.856 -6.738 -2.276
342 HA THR 45 HA THR 45 -2.146 -9.066 -2.023
343 HB THR 45 HB THR 45 -2.971 -8.446 0.240
344 HG1 THR 45 1HG THR 45 -2.870 -10.743 -0.593
345 HG21 THR 45 1HG2 THR 45 -5.348 -8.592 0.814
346 HG22 THR 45 2HG2 THR 45 -5.732 -8.897 -0.876
347 HG23 THR 45 3HG2 THR 45 -5.072 -7.331 -0.394
348 H HIS 46 HN HIS 46 -3.462 -11.014 -2.557
349 HA HIS 46 HA HIS 46 -5.237 -10.291 -4.769
350 HB2 HIS 46 2HB HIS 46 -3.392 -12.666 -4.501
351 HB3 HIS 46 1HB HIS 46 -4.534 -12.449 -5.818
352 HD1 HIS 46 1HD HIS 46 -1.071 -11.949 -5.097
353 HD2 HIS 46 2HD HIS 46 -3.970 -9.842 -7.199
354 HE1 HIS 46 1HE HIS 46 0.180 -10.375 -6.591
355 H CYS 47 HN CYS 47 -7.233 -10.870 -4.618
356 HA CYS 47 HA CYS 47 -7.979 -12.736 -2.580
357 HB2 CYS 47 2HB CYS 47 -9.605 -10.770 -4.176
358 HB3 CYS 47 1HB CYS 47 -10.308 -11.912 -3.037
Start of MODEL 12
1 H1 ARG 1 1HT ARG 1 -11.768 -10.399 -8.142
2 H2 ARG 1 2HT ARG 1 -10.899 -10.697 -6.718
3 H3 ARG 1 3HT ARG 1 -10.114 -10.718 -8.190
4 HA ARG 1 HA ARG 1 -10.523 -8.358 -8.492
5 HB2 ARG 1 2HB ARG 1 -11.437 -8.513 -5.604
6 HB3 ARG 1 1HB ARG 1 -11.329 -7.066 -6.589
7 HG2 ARG 1 2HG ARG 1 -13.157 -7.913 -7.997
8 HG3 ARG 1 1HG ARG 1 -13.263 -9.344 -6.969
9 HD2 ARG 1 2HD ARG 1 -13.682 -7.830 -5.027
10 HD3 ARG 1 1HD ARG 1 -13.758 -6.483 -6.159
11 HE ARG 1 HE ARG 1 -15.509 -8.516 -6.971
12 HH11 ARG 1 1HH1 ARG 1 -15.251 -5.927 -4.589
13 HH12 ARG 1 2HH1 ARG 1 -16.914 -5.901 -4.224
14 HH21 ARG 1 1HH2 ARG 1 -17.770 -8.460 -6.513
15 HH22 ARG 1 2HH2 ARG 1 -18.396 -7.351 -5.386
16 H THR 2 HN THR 2 -8.923 -6.844 -7.381
17 HA THR 2 HA THR 2 -7.007 -8.435 -5.896
18 HB THR 2 HB THR 2 -5.491 -6.476 -6.361
19 HG1 THR 2 1HG THR 2 -6.175 -5.262 -8.265
20 HG21 THR 2 1HG2 THR 2 -4.997 -7.224 -8.668
21 HG22 THR 2 2HG2 THR 2 -6.564 -8.033 -8.718
22 HG23 THR 2 3HG2 THR 2 -5.332 -8.578 -7.587
23 H CYS 3 HN CYS 3 -7.221 -8.275 -3.846
24 HA CYS 3 HA CYS 3 -8.748 -6.228 -2.588
25 HB2 CYS 3 2HB CYS 3 -7.055 -8.367 -1.340
26 HB3 CYS 3 1HB CYS 3 -8.350 -7.471 -0.558
27 H GLN 4 HN GLN 4 -7.977 -4.411 -2.011
28 HA GLN 4 HA GLN 4 -5.107 -4.154 -1.443
29 HB2 GLN 4 2HB GLN 4 -6.961 -2.100 -2.655
30 HB3 GLN 4 1HB GLN 4 -5.261 -1.850 -2.296
31 HG2 GLN 4 2HG GLN 4 -4.647 -3.574 -3.836
32 HG3 GLN 4 1HG GLN 4 -6.350 -3.868 -4.211
33 HE21 GLN 4 1HE2 GLN 4 -6.151 -3.384 -6.348
34 HE22 GLN 4 2HE2 GLN 4 -5.861 -1.790 -6.940
35 H SER 5 HN SER 5 -4.658 -3.733 0.513
36 HA SER 5 HA SER 5 -6.627 -2.389 2.224
37 HB2 SER 5 2HB SER 5 -4.544 -4.441 3.006
38 HB3 SER 5 1HB SER 5 -5.825 -3.774 4.020
39 HG SER 5 HG SER 5 -6.019 -5.935 2.820
40 H GLN 6 HN GLN 6 -5.841 -0.589 3.232
41 HA GLN 6 HA GLN 6 -3.338 0.445 2.374
42 HB2 GLN 6 2HB GLN 6 -3.859 2.395 3.741
43 HB3 GLN 6 1HB GLN 6 -5.217 1.929 2.733
44 HG2 GLN 6 2HG GLN 6 -6.218 0.813 4.710
45 HG3 GLN 6 1HG GLN 6 -4.900 1.463 5.685
46 HE21 GLN 6 1HE2 GLN 6 -7.759 2.162 3.922
47 HE22 GLN 6 2HE2 GLN 6 -7.978 3.778 4.494
48 H SER 7 HN SER 7 -1.437 0.533 3.292
49 HA SER 7 HA SER 7 -0.964 -1.088 5.573
50 HB2 SER 7 2HB SER 7 0.713 -1.012 3.806
51 HB3 SER 7 1HB SER 7 0.896 0.729 4.020
52 HG SER 7 HG SER 7 1.615 -1.370 5.787
53 H HIS 8 HN HIS 8 -1.220 -0.487 7.500
54 HA HIS 8 HA HIS 8 -1.772 2.172 8.359
55 HB2 HIS 8 2HB HIS 8 -2.761 0.110 9.339
56 HB3 HIS 8 1HB HIS 8 -1.148 -0.316 9.898
57 HD1 HIS 8 1HD HIS 8 -4.157 1.603 10.921
58 HD2 HIS 8 2HD HIS 8 -0.153 1.340 12.021
59 HE1 HIS 8 1HE HIS 8 -3.980 2.695 13.178
60 H ARG 9 HN ARG 9 1.013 0.081 8.289
61 HA ARG 9 HA ARG 9 2.453 1.798 10.141
62 HB2 ARG 9 2HB ARG 9 4.198 0.098 10.152
63 HB3 ARG 9 1HB ARG 9 2.628 -0.605 10.501
64 HG2 ARG 9 2HG ARG 9 2.488 -1.425 8.208
65 HG3 ARG 9 1HG ARG 9 4.064 -0.710 7.865
66 HD2 ARG 9 2HD ARG 9 4.404 -3.023 8.300
67 HD3 ARG 9 1HD ARG 9 5.009 -2.119 9.686
68 HE ARG 9 HE ARG 9 2.293 -3.139 9.872
69 HH11 ARG 9 1HH1 ARG 9 5.694 -3.563 10.780
70 HH12 ARG 9 2HH1 ARG 9 5.346 -4.713 11.988
71 HH21 ARG 9 1HH2 ARG 9 1.860 -4.718 11.502
72 HH22 ARG 9 2HH2 ARG 9 3.132 -5.385 12.411
73 H PHE 10 HN PHE 10 1.872 1.914 6.967
74 HA PHE 10 HA PHE 10 4.426 2.495 5.896
75 HB2 PHE 10 2HB PHE 10 2.543 1.905 4.453
76 HB3 PHE 10 1HB PHE 10 1.667 3.330 4.985
77 HD1 PHE 10 1HD PHE 10 1.619 5.074 3.502
78 HD2 PHE 10 2HD PHE 10 5.029 2.547 3.586
79 HE1 PHE 10 1HE PHE 10 2.633 6.379 1.703
80 HE2 PHE 10 2HE PHE 10 6.043 3.831 1.809
81 HZ PHE 10 HZ PHE 10 4.852 5.760 0.834
82 H ARG 11 HN ARG 11 5.461 4.453 5.632
83 HA ARG 11 HA ARG 11 4.524 6.571 7.453
84 HB2 ARG 11 2HB ARG 11 7.317 6.125 6.446
85 HB3 ARG 11 1HB ARG 11 6.802 7.124 7.794
86 HG2 ARG 11 2HG ARG 11 6.143 5.110 9.022
87 HG3 ARG 11 1HG ARG 11 6.675 4.147 7.637
88 HD2 ARG 11 2HD ARG 11 8.944 5.019 7.895
89 HD3 ARG 11 1HD ARG 11 8.420 5.960 9.292
90 HE ARG 11 HE ARG 11 7.715 3.369 9.793
91 HH11 ARG 11 1HH1 ARG 11 10.738 5.103 9.217
92 HH12 ARG 11 2HH1 ARG 11 11.677 4.062 10.188
93 HH21 ARG 11 1HH2 ARG 11 8.970 1.966 11.118
94 HH22 ARG 11 2HH2 ARG 11 10.642 2.227 11.321
95 H GLY 12 HN GLY 12 3.909 8.419 6.446
96 HA2 GLY 12 2HA GLY 12 4.240 10.266 5.116
97 HA3 GLY 12 1HA GLY 12 5.519 9.410 4.270
98 HA PRO 13 HA PRO 13 1.903 9.376 1.499
99 HB2 PRO 13 2HB PRO 13 2.872 10.773 -0.515
100 HB3 PRO 13 1HB PRO 13 2.306 11.569 0.960
101 HG2 PRO 13 2HG PRO 13 5.096 11.062 0.040
102 HG3 PRO 13 1HG PRO 13 4.449 12.439 0.945
103 HD2 PRO 13 2HD PRO 13 5.802 10.212 2.023
104 HD3 PRO 13 1HD PRO 13 4.888 11.428 2.934
105 H CYS 14 HN CYS 14 1.570 8.282 -0.422
106 HA CYS 14 HA CYS 14 3.235 6.049 -0.916
107 HB2 CYS 14 2HB CYS 14 0.762 6.016 -1.013
108 HB3 CYS 14 1HB CYS 14 0.810 7.042 -2.432
109 H LEU 15 HN LEU 15 3.914 9.066 -1.883
110 HA LEU 15 HA LEU 15 4.500 8.675 -4.657
111 HB2 LEU 15 2HB LEU 15 5.416 10.779 -2.696
112 HB3 LEU 15 1HB LEU 15 6.011 10.730 -4.338
113 HG LEU 15 HG LEU 15 3.630 11.023 -5.120
114 HD11 LEU 15 1HD1 LEU 15 2.488 10.267 -3.084
115 HD12 LEU 15 2HD1 LEU 15 1.971 11.869 -3.604
116 HD13 LEU 15 3HD1 LEU 15 3.083 11.707 -2.248
117 HD21 LEU 15 1HD2 LEU 15 4.805 13.192 -3.394
118 HD22 LEU 15 2HD2 LEU 15 3.578 13.421 -4.640
119 HD23 LEU 15 3HD2 LEU 15 5.193 12.870 -5.085
120 H ARG 16 HN ARG 16 5.935 7.724 -1.815
121 HA ARG 16 HA ARG 16 8.475 7.082 -3.071
122 HB2 ARG 16 2HB ARG 16 7.418 6.796 -0.263
123 HB3 ARG 16 1HB ARG 16 8.955 6.115 -0.769
124 HG2 ARG 16 2HG ARG 16 8.307 9.046 -0.994
125 HG3 ARG 16 1HG ARG 16 9.084 8.324 0.418
126 HD2 ARG 16 2HD ARG 16 10.142 8.219 -2.413
127 HD3 ARG 16 1HD ARG 16 10.739 9.271 -1.128
128 HE ARG 16 HE ARG 16 10.796 6.674 -0.162
129 HH11 ARG 16 1HH1 ARG 16 12.421 8.426 -2.754
130 HH12 ARG 16 2HH1 ARG 16 13.877 7.554 -2.631
131 HH21 ARG 16 1HH2 ARG 16 12.728 5.465 0.002
132 HH22 ARG 16 2HH2 ARG 16 14.065 5.814 -0.993
133 H ARG 17 HN ARG 17 7.933 5.566 -4.520
134 HA ARG 17 HA ARG 17 5.989 3.543 -4.138
135 HB2 ARG 17 2HB ARG 17 6.731 4.399 -6.367
136 HB3 ARG 17 1HB ARG 17 8.261 3.571 -6.130
137 HG2 ARG 17 2HG ARG 17 7.085 1.429 -6.017
138 HG3 ARG 17 1HG ARG 17 5.558 2.266 -6.283
139 HD2 ARG 17 2HD ARG 17 6.281 1.330 -8.341
140 HD3 ARG 17 1HD ARG 17 6.448 3.082 -8.450
141 HE ARG 17 HE ARG 17 8.895 2.552 -7.837
142 HH11 ARG 17 1HH1 ARG 17 6.804 0.531 -9.890
143 HH12 ARG 17 2HH1 ARG 17 8.082 -0.153 -10.767
144 HH21 ARG 17 1HH2 ARG 17 10.674 1.606 -9.093
145 HH22 ARG 17 2HH2 ARG 17 10.315 0.517 -10.355
146 H SER 18 HN SER 18 9.456 3.685 -3.716
147 HA SER 18 HA SER 18 10.005 0.978 -3.427
148 HB2 SER 18 2HB SER 18 11.975 1.943 -2.148
149 HB3 SER 18 1HB SER 18 11.760 2.507 -3.810
150 HG SER 18 HG SER 18 12.120 4.250 -2.472
151 H ASN 19 HN ASN 19 9.276 3.485 -1.087
152 HA ASN 19 HA ASN 19 9.363 1.848 1.200
153 HB2 ASN 19 2HB ASN 19 7.964 4.493 0.758
154 HB3 ASN 19 1HB ASN 19 8.080 3.690 2.321
155 HD21 ASN 19 1HD2 ASN 19 10.032 3.657 3.379
156 HD22 ASN 19 2HD2 ASN 19 11.361 4.649 2.915
157 H CYS 20 HN CYS 20 6.735 2.765 -0.930
158 HA CYS 20 HA CYS 20 4.624 1.631 0.535
159 HB2 CYS 20 2HB CYS 20 4.248 3.207 -1.290
160 HB3 CYS 20 1HB CYS 20 4.947 2.087 -2.442
161 H ALA 21 HN ALA 21 6.419 0.239 -2.247
162 HA ALA 21 HA ALA 21 5.153 -2.274 -2.089
163 HB1 ALA 21 1HB ALA 21 6.294 -1.446 -4.106
164 HB2 ALA 21 2HB ALA 21 6.869 -3.040 -3.618
165 HB3 ALA 21 3HB ALA 21 7.842 -1.609 -3.278
166 H ASN 22 HN ASN 22 8.057 -0.990 -0.560
167 HA ASN 22 HA ASN 22 8.841 -3.559 0.365
168 HB2 ASN 22 2HB ASN 22 10.504 -1.757 0.016
169 HB3 ASN 22 1HB ASN 22 9.808 -0.884 1.375
170 HD21 ASN 22 1HD2 ASN 22 10.342 -1.525 3.484
171 HD22 ASN 22 2HD2 ASN 22 11.501 -2.771 3.775
172 H VAL 23 HN VAL 23 6.913 -0.922 1.813
173 HA VAL 23 HA VAL 23 6.919 -2.188 4.342
174 HB VAL 23 HB VAL 23 6.243 0.246 4.032
175 HG11 VAL 23 1HG1 VAL 23 3.918 0.788 3.517
176 HG12 VAL 23 2HG1 VAL 23 3.627 -0.898 3.105
177 HG13 VAL 23 3HG1 VAL 23 4.755 0.059 2.143
178 HG21 VAL 23 1HG2 VAL 23 4.316 -1.494 5.564
179 HG22 VAL 23 2HG2 VAL 23 4.506 0.234 5.787
180 HG23 VAL 23 3HG2 VAL 23 5.849 -0.850 6.151
181 H CYS 24 HN CYS 24 4.753 -2.356 1.573
182 HA CYS 24 HA CYS 24 2.975 -4.203 2.653
183 HB2 CYS 24 2HB CYS 24 3.885 -3.721 -0.175
184 HB3 CYS 24 1HB CYS 24 2.538 -4.776 0.205
185 H ARG 25 HN ARG 25 6.055 -4.647 1.003
186 HA ARG 25 HA ARG 25 6.090 -7.439 0.917
187 HB2 ARG 25 2HB ARG 25 7.630 -5.914 -0.303
188 HB3 ARG 25 1HB ARG 25 8.418 -5.549 1.220
189 HG2 ARG 25 2HG ARG 25 9.129 -7.876 1.412
190 HG3 ARG 25 1HG ARG 25 8.337 -8.247 -0.121
191 HD2 ARG 25 2HD ARG 25 10.608 -6.307 0.308
192 HD3 ARG 25 1HD ARG 25 10.705 -7.879 -0.487
193 HE ARG 25 HE ARG 25 9.081 -6.880 -2.121
194 HH11 ARG 25 1HH1 ARG 25 11.600 -4.947 -0.484
195 HH12 ARG 25 2HH1 ARG 25 11.576 -3.723 -1.676
196 HH21 ARG 25 1HH2 ARG 25 9.148 -5.181 -3.749
197 HH22 ARG 25 2HH2 ARG 25 10.199 -3.858 -3.540
198 H THR 26 HN THR 26 7.256 -5.168 3.425
199 HA THR 26 HA THR 26 8.218 -7.224 5.105
200 HB THR 26 HB THR 26 8.304 -5.505 6.914
201 HG1 THR 26 1HG THR 26 6.561 -4.163 5.285
202 HG21 THR 26 1HG2 THR 26 9.979 -4.067 5.853
203 HG22 THR 26 2HG2 THR 26 9.412 -4.580 4.265
204 HG23 THR 26 3HG2 THR 26 10.174 -5.745 5.344
205 H GLU 27 HN GLU 27 5.032 -5.849 4.692
206 HA GLU 27 HA GLU 27 4.117 -7.069 7.099
207 HB2 GLU 27 2HB GLU 27 2.614 -5.712 4.882
208 HB3 GLU 27 1HB GLU 27 1.809 -6.453 6.256
209 HG2 GLU 27 2HG GLU 27 3.361 -4.947 7.668
210 HG3 GLU 27 1HG GLU 27 3.571 -4.044 6.167
211 H GLY 28 HN GLY 28 4.608 -8.145 3.942
212 HA2 GLY 28 2HA GLY 28 4.633 -10.542 3.632
213 HA3 GLY 28 1HA GLY 28 3.237 -10.641 4.693
214 H PHE 29 HN PHE 29 3.253 -8.106 2.394
215 HA PHE 29 HA PHE 29 1.208 -9.524 0.892
216 HB2 PHE 29 2HB PHE 29 1.748 -6.565 1.175
217 HB3 PHE 29 1HB PHE 29 0.485 -7.260 0.162
218 HD1 PHE 29 1HD PHE 29 -1.036 -8.990 1.464
219 HD2 PHE 29 2HD PHE 29 1.119 -5.807 3.255
220 HE1 PHE 29 1HE PHE 29 -2.588 -9.023 3.339
221 HE2 PHE 29 2HE PHE 29 -0.429 -5.824 5.162
222 HZ PHE 29 HZ PHE 29 -2.294 -7.430 5.216
223 HA PRO 30 HA PRO 30 3.907 -9.826 -2.537
224 HB2 PRO 30 2HB PRO 30 2.042 -9.880 -4.555
225 HB3 PRO 30 1HB PRO 30 2.458 -11.263 -3.539
226 HG2 PRO 30 2HG PRO 30 0.140 -9.392 -3.337
227 HG3 PRO 30 1HG PRO 30 0.195 -11.142 -3.070
228 HD2 PRO 30 2HD PRO 30 0.145 -9.361 -1.033
229 HD3 PRO 30 1HD PRO 30 0.989 -10.912 -0.921
230 H GLY 31 HN GLY 31 1.494 -7.195 -2.612
231 HA2 GLY 31 2HA GLY 31 3.496 -5.546 -3.933
232 HA3 GLY 31 1HA GLY 31 2.008 -5.801 -4.833
233 H GLY 32 HN GLY 32 2.648 -3.247 -4.301
234 HA2 GLY 32 2HA GLY 32 0.507 -2.471 -2.538
235 HA3 GLY 32 1HA GLY 32 2.118 -1.908 -2.088
236 H ARG 33 HN ARG 33 -0.448 -0.655 -3.258
237 HA ARG 33 HA ARG 33 0.955 1.009 -5.187
238 HB2 ARG 33 2HB ARG 33 -0.981 0.913 -6.752
239 HB3 ARG 33 1HB ARG 33 -0.072 -0.585 -6.635
240 HG2 ARG 33 2HG ARG 33 -1.786 -1.522 -5.171
241 HG3 ARG 33 1HG ARG 33 -2.693 -0.010 -5.263
242 HD2 ARG 33 2HD ARG 33 -1.983 -1.730 -7.632
243 HD3 ARG 33 1HD ARG 33 -3.529 -1.780 -6.792
244 HE ARG 33 HE ARG 33 -3.799 0.578 -7.416
245 HH11 ARG 33 1HH1 ARG 33 -1.612 -1.425 -9.354
246 HH12 ARG 33 2HH1 ARG 33 -1.818 -0.544 -10.778
247 HH21 ARG 33 1HH2 ARG 33 -4.112 1.781 -9.372
248 HH22 ARG 33 2HH2 ARG 33 -3.293 1.352 -10.801
249 H CYS 34 HN CYS 34 -0.225 2.995 -5.666
250 HA CYS 34 HA CYS 34 -1.337 4.100 -3.271
251 HB2 CYS 34 2HB CYS 34 -1.109 5.329 -6.020
252 HB3 CYS 34 1HB CYS 34 -1.333 6.185 -4.500
253 H ARG 35 HN ARG 35 -3.450 4.604 -2.892
254 HA ARG 35 HA ARG 35 -5.376 4.419 -5.067
255 HB2 ARG 35 2HB ARG 35 -5.548 2.165 -4.321
256 HB3 ARG 35 1HB ARG 35 -5.490 2.641 -2.628
257 HG2 ARG 35 2HG ARG 35 -7.693 3.706 -2.863
258 HG3 ARG 35 1HG ARG 35 -7.751 3.190 -4.543
259 HD2 ARG 35 2HD ARG 35 -7.413 1.241 -2.291
260 HD3 ARG 35 1HD ARG 35 -9.000 1.798 -2.799
261 HE ARG 35 HE ARG 35 -7.476 0.835 -4.993
262 HH11 ARG 35 1HH1 ARG 35 -9.212 -0.339 -2.155
263 HH12 ARG 35 2HH1 ARG 35 -9.839 -1.703 -2.946
264 HH21 ARG 35 1HH2 ARG 35 -8.348 -1.015 -6.068
265 HH22 ARG 35 2HH2 ARG 35 -9.349 -2.105 -5.245
266 H GLY 36 HN GLY 36 -5.314 4.680 -1.541
267 HA2 GLY 36 2HA GLY 36 -7.605 6.188 -1.240
268 HA3 GLY 36 1HA GLY 36 -6.292 6.127 -0.081
269 H PHE 37 HN PHE 37 -8.106 8.248 -1.109
270 HA PHE 37 HA PHE 37 -6.863 10.158 -2.675
271 HB2 PHE 37 2HB PHE 37 -9.232 10.244 -2.020
272 HB3 PHE 37 1HB PHE 37 -8.765 10.615 -0.366
273 HD1 PHE 37 1HD PHE 37 -8.529 11.890 -3.844
274 HD2 PHE 37 2HD PHE 37 -8.510 12.840 0.306
275 HE1 PHE 37 1HE PHE 37 -8.580 14.284 -4.392
276 HE2 PHE 37 2HE PHE 37 -8.559 15.236 -0.247
277 HZ PHE 37 HZ PHE 37 -8.593 15.955 -2.592
278 H ARG 38 HN ARG 38 -6.433 9.487 0.722
279 HA ARG 38 HA ARG 38 -4.871 11.812 1.350
280 HB2 ARG 38 2HB ARG 38 -5.254 9.187 2.790
281 HB3 ARG 38 1HB ARG 38 -4.274 10.496 3.424
282 HG2 ARG 38 2HG ARG 38 -6.220 11.944 3.518
283 HG3 ARG 38 1HG ARG 38 -7.219 10.676 2.803
284 HD2 ARG 38 2HD ARG 38 -6.863 9.250 4.712
285 HD3 ARG 38 1HD ARG 38 -5.704 10.392 5.386
286 HE ARG 38 HE ARG 38 -7.845 11.914 5.251
287 HH11 ARG 38 1HH1 ARG 38 -7.581 8.573 6.460
288 HH12 ARG 38 2HH1 ARG 38 -8.800 8.776 7.631
289 HH21 ARG 38 1HH2 ARG 38 -9.467 12.162 6.912
290 HH22 ARG 38 2HH2 ARG 38 -9.876 10.839 7.910
291 H ARG 39 HN ARG 39 -4.127 9.629 -0.758
292 HA ARG 39 HA ARG 39 -2.293 8.976 -1.862
293 HB2 ARG 39 2HB ARG 39 -0.831 10.929 -0.059
294 HB3 ARG 39 1HB ARG 39 -0.139 10.165 -1.474
295 HG2 ARG 39 2HG ARG 39 -2.452 12.119 -1.465
296 HG3 ARG 39 1HG ARG 39 -0.793 12.488 -1.918
297 HD2 ARG 39 2HD ARG 39 -1.996 12.216 -3.952
298 HD3 ARG 39 1HD ARG 39 -1.042 10.748 -3.753
299 HE ARG 39 HE ARG 39 -3.783 10.728 -2.801
300 HH11 ARG 39 1HH1 ARG 39 -1.612 9.816 -5.483
301 HH12 ARG 39 2HH1 ARG 39 -2.641 8.588 -6.062
302 HH21 ARG 39 1HH2 ARG 39 -5.163 8.971 -3.668
303 HH22 ARG 39 2HH2 ARG 39 -4.644 8.118 -5.031
304 H ARG 40 HN ARG 40 -3.187 7.337 -0.018
305 HA ARG 40 HA ARG 40 -0.915 6.455 1.558
306 HB2 ARG 40 2HB ARG 40 -3.828 5.813 1.699
307 HB3 ARG 40 1HB ARG 40 -2.647 4.787 2.496
308 HG2 ARG 40 2HG ARG 40 -1.811 6.822 3.675
309 HG3 ARG 40 1HG ARG 40 -3.177 7.703 2.990
310 HD2 ARG 40 2HD ARG 40 -4.735 6.325 4.145
311 HD3 ARG 40 1HD ARG 40 -3.464 5.207 4.646
312 HE ARG 40 HE ARG 40 -3.187 7.953 5.499
313 HH11 ARG 40 1HH1 ARG 40 -4.417 4.747 6.393
314 HH12 ARG 40 2HH1 ARG 40 -4.198 4.991 8.060
315 HH21 ARG 40 1HH2 ARG 40 -2.910 8.277 7.775
316 HH22 ARG 40 2HH2 ARG 40 -3.305 7.048 8.879
317 H CYS 41 HN CYS 41 -0.405 4.219 1.720
318 HA CYS 41 HA CYS 41 -0.201 3.057 -0.934
319 HB2 CYS 41 2HB CYS 41 1.894 3.381 0.252
320 HB3 CYS 41 1HB CYS 41 1.273 2.529 1.657
321 H PHE 42 HN PHE 42 -1.400 1.403 -1.470
322 HA PHE 42 HA PHE 42 -2.738 -0.086 0.636
323 HB2 PHE 42 2HB PHE 42 -3.593 0.604 -2.151
324 HB3 PHE 42 1HB PHE 42 -4.272 -0.741 -1.238
325 HD1 PHE 42 1HD PHE 42 -3.479 2.836 -0.481
326 HD2 PHE 42 2HD PHE 42 -6.288 -0.340 -0.366
327 HE1 PHE 42 1HE PHE 42 -5.104 4.325 0.633
328 HE2 PHE 42 2HE PHE 42 -7.919 1.142 0.752
329 HZ PHE 42 HZ PHE 42 -7.325 3.470 1.249
330 H CYS 43 HN CYS 43 -1.986 -1.871 0.980
331 HA CYS 43 HA CYS 43 -0.195 -3.213 -0.764
332 HB2 CYS 43 2HB CYS 43 -1.428 -4.004 1.869
333 HB3 CYS 43 1HB CYS 43 -0.148 -4.890 1.043
334 H THR 44 HN THR 44 -0.744 -4.520 -2.248
335 HA THR 44 HA THR 44 -3.486 -5.380 -2.537
336 HB THR 44 HB THR 44 -1.128 -5.867 -4.365
337 HG1 THR 44 1HG THR 44 -2.311 -3.560 -3.661
338 HG21 THR 44 1HG2 THR 44 -4.112 -5.699 -4.857
339 HG22 THR 44 2HG2 THR 44 -3.170 -7.189 -4.816
340 HG23 THR 44 3HG2 THR 44 -2.889 -6.001 -6.090
341 H THR 45 HN THR 45 -4.019 -7.228 -1.669
342 HA THR 45 HA THR 45 -1.958 -9.248 -1.202
343 HB THR 45 HB THR 45 -2.930 -8.362 0.866
344 HG1 THR 45 1HG THR 45 -4.186 -10.581 1.314
345 HG21 THR 45 1HG2 THR 45 -5.587 -9.310 -0.187
346 HG22 THR 45 2HG2 THR 45 -5.094 -7.626 0.000
347 HG23 THR 45 3HG2 THR 45 -5.293 -8.651 1.423
348 H HIS 46 HN HIS 46 -2.842 -11.492 -1.292
349 HA HIS 46 HA HIS 46 -4.298 -11.781 -3.765
350 HB2 HIS 46 2HB HIS 46 -2.316 -13.212 -3.276
351 HB3 HIS 46 1HB HIS 46 -3.192 -13.921 -1.925
352 HD1 HIS 46 1HD HIS 46 -4.425 -16.049 -2.478
353 HD2 HIS 46 2HD HIS 46 -3.687 -13.712 -5.830
354 HE1 HIS 46 1HE HIS 46 -5.219 -17.405 -4.448
355 H CYS 47 HN CYS 47 -6.347 -12.361 -3.944
356 HA CYS 47 HA CYS 47 -7.892 -12.533 -1.500
357 HB2 CYS 47 2HB CYS 47 -8.872 -12.318 -4.338
358 HB3 CYS 47 1HB CYS 47 -9.747 -11.937 -2.856
Start of MODEL 13
1 H1 ARG 1 1HT ARG 1 -9.232 -11.042 -10.110
2 H2 ARG 1 2HT ARG 1 -7.592 -10.710 -9.903
3 H3 ARG 1 3HT ARG 1 -8.730 -9.491 -9.671
4 HA ARG 1 HA ARG 1 -9.609 -10.594 -7.774
5 HB2 ARG 1 2HB ARG 1 -7.353 -12.551 -8.285
6 HB3 ARG 1 1HB ARG 1 -8.287 -12.473 -6.804
7 HG2 ARG 1 2HG ARG 1 -9.473 -13.035 -9.507
8 HG3 ARG 1 1HG ARG 1 -8.959 -14.276 -8.362
9 HD2 ARG 1 2HD ARG 1 -10.528 -13.450 -6.725
10 HD3 ARG 1 1HD ARG 1 -11.028 -12.151 -7.807
11 HE ARG 1 HE ARG 1 -11.572 -14.171 -9.324
12 HH11 ARG 1 1HH1 ARG 1 -12.120 -13.928 -5.829
13 HH12 ARG 1 2HH1 ARG 1 -13.503 -14.902 -5.817
14 HH21 ARG 1 1HH2 ARG 1 -13.510 -15.533 -9.319
15 HH22 ARG 1 2HH2 ARG 1 -14.276 -15.862 -7.830
16 H THR 2 HN THR 2 -9.033 -8.595 -7.070
17 HA THR 2 HA THR 2 -6.395 -8.465 -5.853
18 HB THR 2 HB THR 2 -7.753 -6.157 -7.168
19 HG1 THR 2 1HG THR 2 -5.668 -7.891 -8.110
20 HG21 THR 2 1HG2 THR 2 -6.136 -5.567 -5.449
21 HG22 THR 2 2HG2 THR 2 -5.523 -5.099 -7.035
22 HG23 THR 2 3HG2 THR 2 -4.904 -6.549 -6.244
23 H CYS 3 HN CYS 3 -6.387 -7.342 -4.009
24 HA CYS 3 HA CYS 3 -8.832 -6.226 -2.874
25 HB2 CYS 3 2HB CYS 3 -7.053 -8.308 -1.558
26 HB3 CYS 3 1HB CYS 3 -8.380 -7.482 -0.742
27 H GLN 4 HN GLN 4 -8.269 -4.407 -1.615
28 HA GLN 4 HA GLN 4 -5.391 -4.020 -1.215
29 HB2 GLN 4 2HB GLN 4 -7.329 -1.942 -2.265
30 HB3 GLN 4 1HB GLN 4 -5.671 -1.613 -1.789
31 HG2 GLN 4 2HG GLN 4 -4.846 -3.068 -3.550
32 HG3 GLN 4 1HG GLN 4 -6.495 -3.488 -3.998
33 HE21 GLN 4 1HE2 GLN 4 -4.030 -1.072 -4.109
34 HE22 GLN 4 2HE2 GLN 4 -4.810 -0.053 -5.276
35 H SER 5 HN SER 5 -4.934 -3.791 0.785
36 HA SER 5 HA SER 5 -6.917 -2.646 2.592
37 HB2 SER 5 2HB SER 5 -5.625 -4.021 4.302
38 HB3 SER 5 1HB SER 5 -6.503 -4.971 3.103
39 HG SER 5 HG SER 5 -3.826 -4.706 3.561
40 H GLN 6 HN GLN 6 -6.203 -0.882 3.779
41 HA GLN 6 HA GLN 6 -3.928 0.452 2.747
42 HB2 GLN 6 2HB GLN 6 -4.349 2.195 4.461
43 HB3 GLN 6 1HB GLN 6 -5.780 1.789 3.530
44 HG2 GLN 6 2HG GLN 6 -6.519 0.358 5.397
45 HG3 GLN 6 1HG GLN 6 -5.130 0.906 6.322
46 HE21 GLN 6 1HE2 GLN 6 -5.369 3.659 5.229
47 HE22 GLN 6 2HE2 GLN 6 -6.729 4.358 6.010
48 H SER 7 HN SER 7 -1.882 0.701 3.449
49 HA SER 7 HA SER 7 -0.730 -1.291 5.026
50 HB2 SER 7 2HB SER 7 0.586 -0.112 3.355
51 HB3 SER 7 1HB SER 7 0.331 1.423 4.183
52 HG SER 7 HG SER 7 1.799 -0.832 5.108
53 H HIS 8 HN HIS 8 0.085 -1.252 7.127
54 HA HIS 8 HA HIS 8 -1.286 0.694 8.814
55 HB2 HIS 8 2HB HIS 8 -0.309 -2.087 9.356
56 HB3 HIS 8 1HB HIS 8 -0.648 -0.970 10.671
57 HD1 HIS 8 1HD HIS 8 -3.074 -0.785 11.390
58 HD2 HIS 8 2HD HIS 8 -2.604 -2.701 7.735
59 HE1 HIS 8 1HE HIS 8 -5.345 -1.635 10.773
60 H ARG 9 HN ARG 9 1.816 0.026 7.660
61 HA ARG 9 HA ARG 9 2.839 1.667 9.856
62 HB2 ARG 9 2HB ARG 9 4.748 0.254 10.234
63 HB3 ARG 9 1HB ARG 9 3.279 -0.691 10.391
64 HG2 ARG 9 2HG ARG 9 3.754 -1.305 7.900
65 HG3 ARG 9 1HG ARG 9 5.398 -0.810 8.301
66 HD2 ARG 9 2HD ARG 9 5.249 -3.156 8.680
67 HD3 ARG 9 1HD ARG 9 5.253 -2.394 10.286
68 HE ARG 9 HE ARG 9 2.670 -2.875 9.093
69 HH11 ARG 9 1HH1 ARG 9 5.119 -4.237 11.283
70 HH12 ARG 9 2HH1 ARG 9 4.015 -5.356 11.960
71 HH21 ARG 9 1HH2 ARG 9 1.261 -4.411 10.011
72 HH22 ARG 9 2HH2 ARG 9 1.820 -5.459 11.249
73 H PHE 10 HN PHE 10 2.401 1.756 6.711
74 HA PHE 10 HA PHE 10 4.968 2.418 5.732
75 HB2 PHE 10 2HB PHE 10 3.129 1.849 4.203
76 HB3 PHE 10 1HB PHE 10 2.259 3.296 4.705
77 HD1 PHE 10 1HD PHE 10 5.422 2.181 3.139
78 HD2 PHE 10 2HD PHE 10 2.591 5.292 3.592
79 HE1 PHE 10 1HE PHE 10 6.578 3.477 1.416
80 HE2 PHE 10 2HE PHE 10 3.740 6.593 1.858
81 HZ PHE 10 HZ PHE 10 5.737 5.686 0.768
82 H ARG 11 HN ARG 11 6.024 4.294 5.574
83 HA ARG 11 HA ARG 11 5.166 6.358 7.439
84 HB2 ARG 11 2HB ARG 11 7.526 7.054 7.421
85 HB3 ARG 11 1HB ARG 11 7.306 5.384 7.922
86 HG2 ARG 11 2HG ARG 11 7.969 4.655 5.666
87 HG3 ARG 11 1HG ARG 11 8.240 6.344 5.230
88 HD2 ARG 11 2HD ARG 11 9.891 6.518 7.023
89 HD3 ARG 11 1HD ARG 11 9.605 4.821 7.408
90 HE ARG 11 HE ARG 11 10.358 5.303 4.684
91 HH11 ARG 11 1HH1 ARG 11 11.579 4.689 7.943
92 HH12 ARG 11 2HH1 ARG 11 13.035 3.976 7.420
93 HH21 ARG 11 1HH2 ARG 11 12.371 4.378 3.947
94 HH22 ARG 11 2HH2 ARG 11 13.494 3.811 5.093
95 H GLY 12 HN GLY 12 4.507 8.264 6.767
96 HA2 GLY 12 2HA GLY 12 4.367 10.200 5.527
97 HA3 GLY 12 1HA GLY 12 5.648 9.580 4.501
98 HA PRO 13 HA PRO 13 1.717 9.373 2.070
99 HB2 PRO 13 2HB PRO 13 2.506 10.917 -0.002
100 HB3 PRO 13 1HB PRO 13 1.798 11.607 1.461
101 HG2 PRO 13 2HG PRO 13 4.667 11.429 0.650
102 HG3 PRO 13 1HG PRO 13 3.804 12.769 1.426
103 HD2 PRO 13 2HD PRO 13 5.399 11.010 2.786
104 HD3 PRO 13 1HD PRO 13 4.029 11.857 3.520
105 H CYS 14 HN CYS 14 1.438 8.313 0.080
106 HA CYS 14 HA CYS 14 3.247 6.221 -0.478
107 HB2 CYS 14 2HB CYS 14 0.794 6.044 -0.642
108 HB3 CYS 14 1HB CYS 14 0.802 7.149 -2.000
109 H LEU 15 HN LEU 15 3.913 9.218 -1.241
110 HA LEU 15 HA LEU 15 4.362 9.384 -3.995
111 HB2 LEU 15 2HB LEU 15 5.833 10.654 -1.699
112 HB3 LEU 15 1HB LEU 15 6.145 11.047 -3.378
113 HG LEU 15 HG LEU 15 3.489 11.436 -1.994
114 HD11 LEU 15 1HD1 LEU 15 4.022 13.813 -2.093
115 HD12 LEU 15 2HD1 LEU 15 5.615 13.431 -2.748
116 HD13 LEU 15 3HD1 LEU 15 5.192 12.938 -1.108
117 HD21 LEU 15 1HD2 LEU 15 2.968 12.758 -4.002
118 HD22 LEU 15 2HD2 LEU 15 3.241 11.062 -4.371
119 HD23 LEU 15 3HD2 LEU 15 4.500 12.253 -4.710
120 H ARG 16 HN ARG 16 6.116 7.736 -1.531
121 HA ARG 16 HA ARG 16 8.194 7.000 -3.446
122 HB2 ARG 16 2HB ARG 16 8.035 6.497 -0.463
123 HB3 ARG 16 1HB ARG 16 9.418 6.135 -1.484
124 HG2 ARG 16 2HG ARG 16 9.644 8.536 -1.987
125 HG3 ARG 16 1HG ARG 16 8.301 8.869 -0.903
126 HD2 ARG 16 2HD ARG 16 9.591 7.873 0.946
127 HD3 ARG 16 1HD ARG 16 10.946 7.630 -0.155
128 HE ARG 16 HE ARG 16 9.861 10.207 0.724
129 HH11 ARG 16 1HH1 ARG 16 12.527 8.347 -0.698
130 HH12 ARG 16 2HH1 ARG 16 13.631 9.624 -0.645
131 HH21 ARG 16 1HH2 ARG 16 11.406 11.969 0.796
132 HH22 ARG 16 2HH2 ARG 16 12.994 11.723 0.219
133 H ARG 17 HN ARG 17 6.949 5.627 -4.694
134 HA ARG 17 HA ARG 17 5.127 3.746 -3.629
135 HB2 ARG 17 2HB ARG 17 6.329 3.766 -6.395
136 HB3 ARG 17 1HB ARG 17 4.880 2.909 -5.898
137 HG2 ARG 17 2HG ARG 17 3.818 5.096 -5.393
138 HG3 ARG 17 1HG ARG 17 5.251 5.899 -6.033
139 HD2 ARG 17 2HD ARG 17 3.308 4.132 -7.527
140 HD3 ARG 17 1HD ARG 17 3.599 5.847 -7.755
141 HE ARG 17 HE ARG 17 5.997 4.451 -8.164
142 HH11 ARG 17 1HH1 ARG 17 2.899 4.963 -9.754
143 HH12 ARG 17 2HH1 ARG 17 3.473 4.644 -11.329
144 HH21 ARG 17 1HH2 ARG 17 6.788 4.015 -10.245
145 HH22 ARG 17 2HH2 ARG 17 5.789 4.126 -11.636
146 H SER 18 HN SER 18 8.499 3.472 -4.614
147 HA SER 18 HA SER 18 8.672 0.673 -4.627
148 HB2 SER 18 2HB SER 18 10.869 2.568 -3.762
149 HB3 SER 18 1HB SER 18 11.039 0.988 -4.525
150 HG SER 18 HG SER 18 10.330 1.794 -6.425
151 H ASN 19 HN ASN 19 9.041 3.086 -2.062
152 HA ASN 19 HA ASN 19 9.713 1.230 -0.028
153 HB2 ASN 19 2HB ASN 19 10.173 3.680 0.170
154 HB3 ASN 19 1HB ASN 19 8.443 3.965 0.320
155 HD21 ASN 19 1HD2 ASN 19 10.383 1.363 1.748
156 HD22 ASN 19 2HD2 ASN 19 10.051 1.768 3.392
157 H CYS 20 HN CYS 20 6.687 2.624 -1.187
158 HA CYS 20 HA CYS 20 4.914 1.678 0.741
159 HB2 CYS 20 2HB CYS 20 4.198 3.262 -0.966
160 HB3 CYS 20 1HB CYS 20 4.518 2.094 -2.237
161 H ALA 21 HN ALA 21 5.897 0.121 -2.291
162 HA ALA 21 HA ALA 21 4.540 -2.305 -1.843
163 HB1 ALA 21 1HB ALA 21 5.399 -1.625 -4.052
164 HB2 ALA 21 2HB ALA 21 5.982 -3.225 -3.588
165 HB3 ALA 21 3HB ALA 21 7.049 -1.825 -3.461
166 H ASN 22 HN ASN 22 7.846 -1.297 -1.071
167 HA ASN 22 HA ASN 22 8.744 -3.726 -0.028
168 HB2 ASN 22 2HB ASN 22 10.355 -2.024 -0.509
169 HB3 ASN 22 1HB ASN 22 9.582 -0.898 0.598
170 HD21 ASN 22 1HD2 ASN 22 10.066 -0.994 2.773
171 HD22 ASN 22 2HD2 ASN 22 11.266 -2.043 3.415
172 H VAL 23 HN VAL 23 7.118 -1.048 1.637
173 HA VAL 23 HA VAL 23 7.291 -2.211 4.199
174 HB VAL 23 HB VAL 23 5.351 -0.119 3.143
175 HG11 VAL 23 1HG1 VAL 23 5.800 -1.010 5.999
176 HG12 VAL 23 2HG1 VAL 23 4.350 -1.320 5.046
177 HG13 VAL 23 3HG1 VAL 23 4.776 0.332 5.487
178 HG21 VAL 23 1HG2 VAL 23 7.669 0.609 3.229
179 HG22 VAL 23 2HG2 VAL 23 7.797 0.052 4.895
180 HG23 VAL 23 3HG2 VAL 23 6.748 1.410 4.507
181 H CYS 24 HN CYS 24 4.644 -2.185 1.834
182 HA CYS 24 HA CYS 24 2.983 -3.894 3.261
183 HB2 CYS 24 2HB CYS 24 3.245 -3.314 0.327
184 HB3 CYS 24 1HB CYS 24 2.017 -4.414 0.912
185 H ARG 25 HN ARG 25 5.574 -4.617 1.028
186 HA ARG 25 HA ARG 25 5.326 -7.383 0.981
187 HB2 ARG 25 2HB ARG 25 6.688 -6.331 -0.653
188 HB3 ARG 25 1HB ARG 25 7.616 -5.480 0.552
189 HG2 ARG 25 2HG ARG 25 7.794 -8.449 0.401
190 HG3 ARG 25 1HG ARG 25 8.641 -7.466 -0.798
191 HD2 ARG 25 2HD ARG 25 9.723 -6.230 1.062
192 HD3 ARG 25 1HD ARG 25 8.943 -7.323 2.197
193 HE ARG 25 HE ARG 25 10.207 -9.056 0.701
194 HH11 ARG 25 1HH1 ARG 25 11.398 -5.927 1.886
195 HH12 ARG 25 2HH1 ARG 25 12.985 -6.459 2.157
196 HH21 ARG 25 1HH2 ARG 25 12.424 -9.784 1.011
197 HH22 ARG 25 2HH2 ARG 25 13.601 -8.698 1.601
198 H THR 26 HN THR 26 7.036 -5.301 3.308
199 HA THR 26 HA THR 26 7.907 -7.562 4.797
200 HB THR 26 HB THR 26 8.472 -5.825 6.609
201 HG1 THR 26 1HG THR 26 6.925 -4.245 5.272
202 HG21 THR 26 1HG2 THR 26 10.122 -6.708 5.022
203 HG22 THR 26 2HG2 THR 26 10.417 -5.009 5.377
204 HG23 THR 26 3HG2 THR 26 9.659 -5.470 3.853
205 H GLU 27 HN GLU 27 4.983 -5.733 4.752
206 HA GLU 27 HA GLU 27 4.092 -6.764 7.279
207 HB2 GLU 27 2HB GLU 27 2.460 -5.432 5.079
208 HB3 GLU 27 1HB GLU 27 1.896 -5.786 6.712
209 HG2 GLU 27 2HG GLU 27 3.683 -4.293 7.575
210 HG3 GLU 27 1HG GLU 27 4.032 -3.837 5.911
211 H GLY 28 HN GLY 28 4.419 -7.961 4.191
212 HA2 GLY 28 2HA GLY 28 4.339 -10.316 3.890
213 HA3 GLY 28 1HA GLY 28 2.955 -10.380 4.966
214 H PHE 29 HN PHE 29 2.889 -7.848 2.683
215 HA PHE 29 HA PHE 29 0.905 -9.365 1.202
216 HB2 PHE 29 2HB PHE 29 1.278 -6.404 1.576
217 HB3 PHE 29 1HB PHE 29 0.124 -7.099 0.440
218 HD1 PHE 29 1HD PHE 29 0.543 -5.903 3.718
219 HD2 PHE 29 2HD PHE 29 -1.451 -8.894 1.464
220 HE1 PHE 29 1HE PHE 29 -1.144 -6.130 5.501
221 HE2 PHE 29 2HE PHE 29 -3.137 -9.112 3.204
222 HZ PHE 29 HZ PHE 29 -2.991 -7.732 5.250
223 HA PRO 30 HA PRO 30 3.450 -9.682 -2.319
224 HB2 PRO 30 2HB PRO 30 1.503 -9.495 -4.280
225 HB3 PRO 30 1HB PRO 30 1.939 -10.968 -3.415
226 HG2 PRO 30 2HG PRO 30 -0.325 -9.091 -2.950
227 HG3 PRO 30 1HG PRO 30 -0.291 -10.856 -2.814
228 HD2 PRO 30 2HD PRO 30 -0.230 -9.256 -0.654
229 HD3 PRO 30 1HD PRO 30 0.654 -10.794 -0.700
230 H GLY 31 HN GLY 31 0.967 -7.100 -2.607
231 HA2 GLY 31 2HA GLY 31 3.055 -5.535 -3.967
232 HA3 GLY 31 1HA GLY 31 1.395 -5.555 -4.544
233 H GLY 32 HN GLY 32 2.401 -3.175 -4.070
234 HA2 GLY 32 2HA GLY 32 0.763 -2.191 -1.948
235 HA3 GLY 32 1HA GLY 32 2.491 -1.969 -1.664
236 H ARG 33 HN ARG 33 -0.072 -0.384 -2.733
237 HA ARG 33 HA ARG 33 1.502 1.313 -4.452
238 HB2 ARG 33 2HB ARG 33 -0.071 1.242 -6.317
239 HB3 ARG 33 1HB ARG 33 0.646 -0.337 -6.036
240 HG2 ARG 33 2HG ARG 33 -1.401 -1.043 -4.888
241 HG3 ARG 33 1HG ARG 33 -2.110 0.540 -5.206
242 HD2 ARG 33 2HD ARG 33 -1.218 -1.483 -7.249
243 HD3 ARG 33 1HD ARG 33 -2.883 -1.052 -6.854
244 HE ARG 33 HE ARG 33 -1.029 0.967 -7.878
245 HH11 ARG 33 1HH1 ARG 33 -4.015 -0.918 -8.321
246 HH12 ARG 33 2HH1 ARG 33 -4.544 -0.028 -9.651
247 HH21 ARG 33 1HH2 ARG 33 -1.776 2.195 -9.727
248 HH22 ARG 33 2HH2 ARG 33 -3.237 1.788 -10.485
249 H CYS 34 HN CYS 34 -0.056 3.145 -5.277
250 HA CYS 34 HA CYS 34 -1.186 4.255 -2.884
251 HB2 CYS 34 2HB CYS 34 -1.021 5.429 -5.666
252 HB3 CYS 34 1HB CYS 34 -1.297 6.297 -4.158
253 H ARG 35 HN ARG 35 -3.240 4.024 -2.391
254 HA ARG 35 HA ARG 35 -5.221 3.660 -4.566
255 HB2 ARG 35 2HB ARG 35 -4.922 1.524 -3.440
256 HB3 ARG 35 1HB ARG 35 -5.157 2.284 -1.881
257 HG2 ARG 35 2HG ARG 35 -7.121 1.010 -2.492
258 HG3 ARG 35 1HG ARG 35 -7.509 2.729 -2.470
259 HD2 ARG 35 2HD ARG 35 -7.350 2.832 -4.855
260 HD3 ARG 35 1HD ARG 35 -6.823 1.147 -4.929
261 HE ARG 35 HE ARG 35 -9.320 1.348 -3.635
262 HH11 ARG 35 1HH1 ARG 35 -7.898 1.567 -6.863
263 HH12 ARG 35 2HH1 ARG 35 -9.271 0.983 -7.680
264 HH21 ARG 35 1HH2 ARG 35 -11.217 0.572 -4.728
265 HH22 ARG 35 2HH2 ARG 35 -11.219 0.405 -6.431
266 H GLY 36 HN GLY 36 -4.554 4.885 -1.365
267 HA2 GLY 36 2HA GLY 36 -7.101 6.092 -1.003
268 HA3 GLY 36 1HA GLY 36 -5.645 6.454 -0.084
269 H PHE 37 HN PHE 37 -7.727 8.155 -1.336
270 HA PHE 37 HA PHE 37 -6.846 9.496 -3.627
271 HB2 PHE 37 2HB PHE 37 -8.276 10.898 -1.387
272 HB3 PHE 37 1HB PHE 37 -8.454 11.121 -3.120
273 HD1 PHE 37 1HD PHE 37 -9.409 9.035 -4.418
274 HD2 PHE 37 2HD PHE 37 -9.822 9.720 -0.244
275 HE1 PHE 37 1HE PHE 37 -11.357 7.524 -4.360
276 HE2 PHE 37 2HE PHE 37 -11.725 8.247 -0.157
277 HZ PHE 37 HZ PHE 37 -12.530 7.116 -2.227
278 H ARG 38 HN ARG 38 -6.122 9.878 -0.255
279 HA ARG 38 HA ARG 38 -4.644 12.350 -0.557
280 HB2 ARG 38 2HB ARG 38 -5.037 10.536 1.817
281 HB3 ARG 38 1HB ARG 38 -4.323 12.137 1.845
282 HG2 ARG 38 2HG ARG 38 -6.429 13.138 1.201
283 HG3 ARG 38 1HG ARG 38 -7.156 11.537 1.029
284 HD2 ARG 38 2HD ARG 38 -5.982 12.582 3.589
285 HD3 ARG 38 1HD ARG 38 -7.691 12.683 3.170
286 HE ARG 38 HE ARG 38 -6.710 10.043 2.915
287 HH11 ARG 38 1HH1 ARG 38 -7.639 12.369 5.378
288 HH12 ARG 38 2HH1 ARG 38 -8.284 11.219 6.458
289 HH21 ARG 38 1HH2 ARG 38 -7.551 8.428 4.411
290 HH22 ARG 38 2HH2 ARG 38 -8.197 8.926 5.903
291 H ARG 39 HN ARG 39 -3.808 9.755 -1.820
292 HA ARG 39 HA ARG 39 -1.915 8.642 -2.356
293 HB2 ARG 39 2HB ARG 39 -0.578 10.837 -0.770
294 HB3 ARG 39 1HB ARG 39 0.281 9.647 -1.732
295 HG2 ARG 39 2HG ARG 39 -0.697 10.496 -3.742
296 HG3 ARG 39 1HG ARG 39 -1.722 11.607 -2.819
297 HD2 ARG 39 2HD ARG 39 0.238 12.740 -1.985
298 HD3 ARG 39 1HD ARG 39 1.280 11.597 -2.823
299 HE ARG 39 HE ARG 39 -0.004 12.533 -4.870
300 HH11 ARG 39 1HH1 ARG 39 1.002 14.455 -2.041
301 HH12 ARG 39 2HH1 ARG 39 1.420 15.813 -2.973
302 HH21 ARG 39 1HH2 ARG 39 0.542 14.397 -6.095
303 HH22 ARG 39 2HH2 ARG 39 1.132 15.799 -5.332
304 H ARG 40 HN ARG 40 -3.298 7.492 -0.443
305 HA ARG 40 HA ARG 40 -1.429 6.846 1.693
306 HB2 ARG 40 2HB ARG 40 -3.733 7.241 2.397
307 HB3 ARG 40 1HB ARG 40 -4.301 6.000 1.297
308 HG2 ARG 40 2HG ARG 40 -4.314 5.126 3.550
309 HG3 ARG 40 1HG ARG 40 -3.073 4.301 2.615
310 HD2 ARG 40 2HD ARG 40 -1.364 5.734 3.624
311 HD3 ARG 40 1HD ARG 40 -2.608 6.565 4.562
312 HE ARG 40 HE ARG 40 -2.206 3.672 4.851
313 HH11 ARG 40 1HH1 ARG 40 -2.005 6.904 6.302
314 HH12 ARG 40 2HH1 ARG 40 -1.888 6.329 7.898
315 HH21 ARG 40 1HH2 ARG 40 -2.031 2.906 7.103
316 HH22 ARG 40 2HH2 ARG 40 -1.925 4.052 8.351
317 H CYS 41 HN CYS 41 -0.238 5.138 1.674
318 HA CYS 41 HA CYS 41 -0.093 3.354 -0.500
319 HB2 CYS 41 2HB CYS 41 1.852 3.917 0.863
320 HB3 CYS 41 1HB CYS 41 1.094 3.208 2.279
321 H PHE 42 HN PHE 42 -1.208 1.597 -0.896
322 HA PHE 42 HA PHE 42 -2.597 0.238 1.286
323 HB2 PHE 42 2HB PHE 42 -3.529 0.891 -1.479
324 HB3 PHE 42 1HB PHE 42 -4.099 -0.567 -0.692
325 HD1 PHE 42 1HD PHE 42 -6.200 -0.391 0.152
326 HD2 PHE 42 2HD PHE 42 -3.675 3.031 0.306
327 HE1 PHE 42 1HE PHE 42 -8.007 0.880 1.192
328 HE2 PHE 42 2HE PHE 42 -5.509 4.312 1.366
329 HZ PHE 42 HZ PHE 42 -7.665 3.235 1.806
330 H CYS 43 HN CYS 43 -2.293 -1.810 1.438
331 HA CYS 43 HA CYS 43 -0.242 -3.000 -0.129
332 HB2 CYS 43 2HB CYS 43 -1.900 -4.003 2.182
333 HB3 CYS 43 1HB CYS 43 -0.501 -4.825 1.492
334 H THR 44 HN THR 44 -0.623 -4.183 -1.772
335 HA THR 44 HA THR 44 -3.361 -4.732 -2.516
336 HB THR 44 HB THR 44 -0.785 -4.943 -4.085
337 HG1 THR 44 1HG THR 44 -1.807 -2.842 -3.136
338 HG21 THR 44 1HG2 THR 44 -3.676 -4.809 -4.971
339 HG22 THR 44 2HG2 THR 44 -2.655 -6.246 -5.030
340 HG23 THR 44 3HG2 THR 44 -2.276 -4.849 -6.040
341 H THR 45 HN THR 45 -4.040 -6.593 -1.745
342 HA THR 45 HA THR 45 -2.187 -8.834 -1.637
343 HB THR 45 HB THR 45 -2.963 -8.153 0.565
344 HG1 THR 45 1HG THR 45 -3.853 -10.188 1.230
345 HG21 THR 45 1HG2 THR 45 -5.173 -7.197 -0.089
346 HG22 THR 45 2HG2 THR 45 -5.250 -8.291 1.290
347 HG23 THR 45 3HG2 THR 45 -5.758 -8.858 -0.295
348 H HIS 46 HN HIS 46 -3.088 -10.857 -2.167
349 HA HIS 46 HA HIS 46 -5.265 -10.604 -4.113
350 HB2 HIS 46 2HB HIS 46 -2.924 -12.537 -4.144
351 HB3 HIS 46 1HB HIS 46 -4.283 -12.614 -5.262
352 HD1 HIS 46 1HD HIS 46 -0.933 -11.520 -5.338
353 HD2 HIS 46 2HD HIS 46 -4.545 -9.806 -6.490
354 HE1 HIS 46 1HE HIS 46 -0.351 -9.695 -6.968
355 H CYS 47 HN CYS 47 -7.074 -11.333 -3.326
356 HA CYS 47 HA CYS 47 -7.053 -13.046 -1.107
357 HB2 CYS 47 2HB CYS 47 -9.356 -11.958 -2.719
358 HB3 CYS 47 1HB CYS 47 -9.521 -12.859 -1.212
Start of MODEL 14
1 H1 ARG 1 1HT ARG 1 -11.457 -11.170 -7.223
2 H2 ARG 1 2HT ARG 1 -11.110 -9.533 -7.077
3 H3 ARG 1 3HT ARG 1 -10.938 -10.551 -5.763
4 HA ARG 1 HA ARG 1 -9.183 -11.741 -6.777
5 HB2 ARG 1 2HB ARG 1 -9.854 -11.628 -9.081
6 HB3 ARG 1 1HB ARG 1 -9.656 -9.883 -9.109
7 HG2 ARG 1 2HG ARG 1 -7.252 -10.128 -8.831
8 HG3 ARG 1 1HG ARG 1 -7.426 -11.880 -8.744
9 HD2 ARG 1 2HD ARG 1 -6.697 -11.082 -10.965
10 HD3 ARG 1 1HD ARG 1 -8.223 -11.958 -11.018
11 HE ARG 1 HE ARG 1 -8.336 -9.053 -10.843
12 HH11 ARG 1 1HH1 ARG 1 -8.577 -11.911 -12.909
13 HH12 ARG 1 2HH1 ARG 1 -9.459 -11.122 -14.131
14 HH21 ARG 1 1HH2 ARG 1 -9.597 -7.994 -12.484
15 HH22 ARG 1 2HH2 ARG 1 -10.093 -8.867 -13.864
16 H THR 2 HN THR 2 -9.164 -8.204 -7.636
17 HA THR 2 HA THR 2 -6.643 -8.047 -6.309
18 HB THR 2 HB THR 2 -6.829 -5.636 -7.121
19 HG1 THR 2 1HG THR 2 -8.490 -5.110 -8.330
20 HG21 THR 2 1HG2 THR 2 -5.428 -7.304 -8.208
21 HG22 THR 2 2HG2 THR 2 -6.172 -6.252 -9.407
22 HG23 THR 2 3HG2 THR 2 -6.805 -7.878 -9.145
23 H CYS 3 HN CYS 3 -6.553 -7.679 -4.252
24 HA CYS 3 HA CYS 3 -8.640 -6.015 -3.071
25 HB2 CYS 3 2HB CYS 3 -7.157 -8.361 -1.870
26 HB3 CYS 3 1HB CYS 3 -8.276 -7.336 -0.978
27 H GLN 4 HN GLN 4 -7.959 -4.341 -1.924
28 HA GLN 4 HA GLN 4 -5.084 -4.118 -1.475
29 HB2 GLN 4 2HB GLN 4 -6.957 -1.906 -2.331
30 HB3 GLN 4 1HB GLN 4 -5.292 -1.664 -1.841
31 HG2 GLN 4 2HG GLN 4 -4.588 -3.132 -3.689
32 HG3 GLN 4 1HG GLN 4 -6.270 -3.182 -4.232
33 HE21 GLN 4 1HE2 GLN 4 -5.856 -2.175 -6.169
34 HE22 GLN 4 2HE2 GLN 4 -5.413 -0.502 -6.273
35 H SER 5 HN SER 5 -4.620 -3.982 0.512
36 HA SER 5 HA SER 5 -6.637 -3.007 2.398
37 HB2 SER 5 2HB SER 5 -6.076 -5.411 2.631
38 HB3 SER 5 1HB SER 5 -4.380 -4.979 2.834
39 HG SER 5 HG SER 5 -6.403 -4.984 4.624
40 H GLN 6 HN GLN 6 -6.087 -1.269 3.522
41 HA GLN 6 HA GLN 6 -3.975 0.394 2.838
42 HB2 GLN 6 2HB GLN 6 -6.026 1.147 3.922
43 HB3 GLN 6 1HB GLN 6 -5.573 0.296 5.389
44 HG2 GLN 6 2HG GLN 6 -3.605 1.768 5.591
45 HG3 GLN 6 1HG GLN 6 -4.163 2.655 4.172
46 HE21 GLN 6 1HE2 GLN 6 -5.996 3.937 4.337
47 HE22 GLN 6 2HE2 GLN 6 -6.635 4.402 5.866
48 H SER 7 HN SER 7 -1.883 0.521 3.456
49 HA SER 7 HA SER 7 -0.790 -1.370 5.274
50 HB2 SER 7 2HB SER 7 0.549 -0.503 3.384
51 HB3 SER 7 1HB SER 7 0.418 1.131 4.034
52 HG SER 7 HG SER 7 1.499 -0.999 5.542
53 H HIS 8 HN HIS 8 -0.206 -1.015 7.354
54 HA HIS 8 HA HIS 8 -1.491 1.353 8.549
55 HB2 HIS 8 2HB HIS 8 -2.475 -0.856 9.099
56 HB3 HIS 8 1HB HIS 8 -0.940 -1.328 9.820
57 HD1 HIS 8 1HD HIS 8 -1.081 -1.198 12.303
58 HD2 HIS 8 2HD HIS 8 -3.405 1.697 10.444
59 HE1 HIS 8 1HE HIS 8 -2.146 0.135 14.163
60 H ARG 9 HN ARG 9 1.486 0.086 7.895
61 HA ARG 9 HA ARG 9 2.668 1.625 10.099
62 HB2 ARG 9 2HB ARG 9 4.600 0.015 10.033
63 HB3 ARG 9 1HB ARG 9 3.087 -0.657 10.618
64 HG2 ARG 9 2HG ARG 9 2.699 -1.667 8.423
65 HG3 ARG 9 1HG ARG 9 4.234 -1.010 7.865
66 HD2 ARG 9 2HD ARG 9 3.901 -2.947 10.156
67 HD3 ARG 9 1HD ARG 9 4.384 -3.386 8.519
68 HE ARG 9 HE ARG 9 6.030 -1.377 9.678
69 HH11 ARG 9 1HH1 ARG 9 5.504 -4.881 9.589
70 HH12 ARG 9 2HH1 ARG 9 7.147 -5.240 9.907
71 HH21 ARG 9 1HH2 ARG 9 8.211 -1.898 10.132
72 HH22 ARG 9 2HH2 ARG 9 8.707 -3.531 10.235
73 H PHE 10 HN PHE 10 2.008 2.172 7.230
74 HA PHE 10 HA PHE 10 4.575 2.604 5.983
75 HB2 PHE 10 2HB PHE 10 2.659 1.921 4.617
76 HB3 PHE 10 1HB PHE 10 1.776 3.356 5.118
77 HD1 PHE 10 1HD PHE 10 4.826 2.248 3.342
78 HD2 PHE 10 2HD PHE 10 1.954 5.324 3.899
79 HE1 PHE 10 1HE PHE 10 5.785 3.473 1.457
80 HE2 PHE 10 2HE PHE 10 2.907 6.554 2.012
81 HZ PHE 10 HZ PHE 10 4.824 5.636 0.780
82 H ARG 11 HN ARG 11 5.514 4.571 5.573
83 HA ARG 11 HA ARG 11 4.303 6.883 6.826
84 HB2 ARG 11 2HB ARG 11 6.576 7.588 7.626
85 HB3 ARG 11 1HB ARG 11 5.877 6.219 8.472
86 HG2 ARG 11 2HG ARG 11 7.276 4.721 7.127
87 HG3 ARG 11 1HG ARG 11 8.011 6.133 6.360
88 HD2 ARG 11 2HD ARG 11 8.831 6.910 8.464
89 HD3 ARG 11 1HD ARG 11 7.982 5.626 9.319
90 HE ARG 11 HE ARG 11 9.741 4.579 7.388
91 HH11 ARG 11 1HH1 ARG 11 9.794 6.185 10.535
92 HH12 ARG 11 2HH1 ARG 11 11.115 5.309 11.154
93 HH21 ARG 11 1HH2 ARG 11 11.660 3.400 8.202
94 HH22 ARG 11 2HH2 ARG 11 12.222 3.719 9.769
95 H GLY 12 HN GLY 12 4.299 8.602 5.610
96 HA2 GLY 12 2HA GLY 12 5.344 10.147 4.141
97 HA3 GLY 12 1HA GLY 12 6.172 8.795 3.373
98 HA PRO 13 HA PRO 13 2.350 9.339 0.921
99 HB2 PRO 13 2HB PRO 13 3.383 10.282 -1.352
100 HB3 PRO 13 1HB PRO 13 3.098 11.348 0.027
101 HG2 PRO 13 2HG PRO 13 5.659 10.260 -1.015
102 HG3 PRO 13 1HG PRO 13 5.345 11.785 -0.176
103 HD2 PRO 13 2HD PRO 13 6.356 9.373 0.962
104 HD3 PRO 13 1HD PRO 13 5.880 10.843 1.826
105 H CYS 14 HN CYS 14 1.597 7.882 -0.663
106 HA CYS 14 HA CYS 14 3.031 5.461 -1.042
107 HB2 CYS 14 2HB CYS 14 1.150 4.807 -2.469
108 HB3 CYS 14 1HB CYS 14 0.580 5.560 -0.982
109 H LEU 15 HN LEU 15 3.384 8.373 -2.530
110 HA LEU 15 HA LEU 15 3.819 7.744 -5.234
111 HB2 LEU 15 2HB LEU 15 5.107 9.912 -3.580
112 HB3 LEU 15 1HB LEU 15 5.043 9.859 -5.330
113 HG LEU 15 HG LEU 15 2.689 10.191 -3.471
114 HD11 LEU 15 1HD1 LEU 15 4.055 12.100 -5.334
115 HD12 LEU 15 2HD1 LEU 15 4.014 12.174 -3.570
116 HD13 LEU 15 3HD1 LEU 15 2.534 12.407 -4.501
117 HD21 LEU 15 1HD2 LEU 15 2.024 8.934 -5.453
118 HD22 LEU 15 2HD2 LEU 15 2.777 10.145 -6.489
119 HD23 LEU 15 3HD2 LEU 15 1.373 10.572 -5.511
120 H ARG 16 HN ARG 16 5.757 7.423 -2.362
121 HA ARG 16 HA ARG 16 8.072 6.546 -3.870
122 HB2 ARG 16 2HB ARG 16 7.515 6.329 -0.889
123 HB3 ARG 16 1HB ARG 16 9.049 5.996 -1.668
124 HG2 ARG 16 2HG ARG 16 9.218 8.370 -2.299
125 HG3 ARG 16 1HG ARG 16 7.697 8.682 -1.453
126 HD2 ARG 16 2HD ARG 16 8.727 7.801 0.619
127 HD3 ARG 16 1HD ARG 16 10.254 7.636 -0.238
128 HE ARG 16 HE ARG 16 9.163 10.259 -0.389
129 HH11 ARG 16 1HH1 ARG 16 11.209 8.114 1.557
130 HH12 ARG 16 2HH1 ARG 16 11.942 9.356 2.444
131 HH21 ARG 16 1HH2 ARG 16 10.153 12.004 0.879
132 HH22 ARG 16 2HH2 ARG 16 11.318 11.629 2.062
133 H ARG 17 HN ARG 17 7.087 4.964 -5.043
134 HA ARG 17 HA ARG 17 5.341 3.011 -4.018
135 HB2 ARG 17 2HB ARG 17 5.435 3.759 -6.392
136 HB3 ARG 17 1HB ARG 17 6.953 2.897 -6.559
137 HG2 ARG 17 2HG ARG 17 5.848 0.782 -6.163
138 HG3 ARG 17 1HG ARG 17 4.321 1.611 -5.859
139 HD2 ARG 17 2HD ARG 17 5.857 1.604 -8.458
140 HD3 ARG 17 1HD ARG 17 4.364 0.721 -8.128
141 HE ARG 17 HE ARG 17 3.937 3.426 -7.582
142 HH11 ARG 17 1HH1 ARG 17 4.410 1.346 -10.427
143 HH12 ARG 17 2HH1 ARG 17 3.670 2.415 -11.501
144 HH21 ARG 17 1HH2 ARG 17 2.938 4.872 -9.045
145 HH22 ARG 17 2HH2 ARG 17 2.773 4.491 -10.688
146 H SER 18 HN SER 18 8.805 3.154 -4.398
147 HA SER 18 HA SER 18 9.414 0.451 -4.046
148 HB2 SER 18 2HB SER 18 11.602 1.482 -3.194
149 HB3 SER 18 1HB SER 18 11.096 1.938 -4.824
150 HG SER 18 HG SER 18 11.754 3.646 -3.198
151 H ASN 19 HN ASN 19 9.179 3.116 -1.747
152 HA ASN 19 HA ASN 19 9.579 1.584 0.606
153 HB2 ASN 19 2HB ASN 19 9.884 4.051 0.525
154 HB3 ASN 19 1HB ASN 19 8.151 4.245 0.312
155 HD21 ASN 19 1HD2 ASN 19 8.000 5.493 2.193
156 HD22 ASN 19 2HD2 ASN 19 8.096 4.810 3.760
157 H CYS 20 HN CYS 20 6.715 2.645 -1.115
158 HA CYS 20 HA CYS 20 4.702 1.756 0.613
159 HB2 CYS 20 2HB CYS 20 4.382 3.225 -1.382
160 HB3 CYS 20 1HB CYS 20 4.725 1.856 -2.416
161 H ALA 21 HN ALA 21 6.265 0.041 -2.115
162 HA ALA 21 HA ALA 21 4.901 -2.384 -1.738
163 HB1 ALA 21 1HB ALA 21 6.013 -1.791 -3.841
164 HB2 ALA 21 2HB ALA 21 6.580 -3.345 -3.226
165 HB3 ALA 21 3HB ALA 21 7.580 -1.905 -3.042
166 H ASN 22 HN ASN 22 7.933 -1.137 -0.487
167 HA ASN 22 HA ASN 22 8.771 -3.573 0.677
168 HB2 ASN 22 2HB ASN 22 10.394 -1.834 0.165
169 HB3 ASN 22 1HB ASN 22 9.637 -0.752 1.327
170 HD21 ASN 22 1HD2 ASN 22 10.104 -0.982 3.497
171 HD22 ASN 22 2HD2 ASN 22 11.293 -2.077 4.085
172 H VAL 23 HN VAL 23 6.958 -0.833 2.027
173 HA VAL 23 HA VAL 23 6.929 -1.953 4.635
174 HB VAL 23 HB VAL 23 5.007 0.070 3.421
175 HG11 VAL 23 1HG1 VAL 23 4.044 -1.105 5.369
176 HG12 VAL 23 2HG1 VAL 23 4.383 0.581 5.736
177 HG13 VAL 23 3HG1 VAL 23 5.479 -0.683 6.302
178 HG21 VAL 23 1HG2 VAL 23 7.420 0.413 5.197
179 HG22 VAL 23 2HG2 VAL 23 6.326 1.704 4.717
180 HG23 VAL 23 3HG2 VAL 23 7.301 0.876 3.500
181 H CYS 24 HN CYS 24 4.673 -2.093 1.917
182 HA CYS 24 HA CYS 24 2.874 -3.783 3.197
183 HB2 CYS 24 2HB CYS 24 3.518 -3.358 0.294
184 HB3 CYS 24 1HB CYS 24 2.254 -4.469 0.819
185 H ARG 25 HN ARG 25 5.885 -4.451 1.603
186 HA ARG 25 HA ARG 25 5.779 -7.258 1.613
187 HB2 ARG 25 2HB ARG 25 7.479 -5.985 0.407
188 HB3 ARG 25 1HB ARG 25 8.121 -5.386 1.925
189 HG2 ARG 25 2HG ARG 25 8.769 -7.671 2.534
190 HG3 ARG 25 1HG ARG 25 8.159 -8.233 0.971
191 HD2 ARG 25 2HD ARG 25 10.371 -6.243 1.421
192 HD3 ARG 25 1HD ARG 25 10.548 -7.908 0.863
193 HE ARG 25 HE ARG 25 8.944 -7.004 -0.988
194 HH11 ARG 25 1HH1 ARG 25 11.783 -5.383 0.358
195 HH12 ARG 25 2HH1 ARG 25 12.132 -4.516 -1.059
196 HH21 ARG 25 1HH2 ARG 25 9.358 -5.775 -2.863
197 HH22 ARG 25 2HH2 ARG 25 10.686 -4.720 -2.950
198 H THR 26 HN THR 26 6.860 -4.911 4.070
199 HA THR 26 HA THR 26 7.521 -6.946 5.920
200 HB THR 26 HB THR 26 7.697 -5.114 7.622
201 HG1 THR 26 1HG THR 26 6.142 -3.755 5.862
202 HG21 THR 26 1HG2 THR 26 9.008 -4.492 4.979
203 HG22 THR 26 2HG2 THR 26 9.601 -5.644 6.168
204 HG23 THR 26 3HG2 THR 26 9.549 -3.925 6.557
205 H GLU 27 HN GLU 27 4.546 -5.494 5.042
206 HA GLU 27 HA GLU 27 3.262 -6.742 7.314
207 HB2 GLU 27 2HB GLU 27 2.068 -5.108 5.065
208 HB3 GLU 27 1HB GLU 27 1.108 -5.873 6.326
209 HG2 GLU 27 2HG GLU 27 2.531 -4.583 7.984
210 HG3 GLU 27 1HG GLU 27 3.115 -3.660 6.605
211 H GLY 28 HN GLY 28 4.503 -7.918 4.637
212 HA2 GLY 28 2HA GLY 28 4.446 -10.153 4.050
213 HA3 GLY 28 1HA GLY 28 2.923 -10.325 4.898
214 H PHE 29 HN PHE 29 3.512 -7.919 2.396
215 HA PHE 29 HA PHE 29 1.669 -9.424 0.684
216 HB2 PHE 29 2HB PHE 29 1.911 -6.450 1.087
217 HB3 PHE 29 1HB PHE 29 0.922 -7.180 -0.175
218 HD1 PHE 29 1HD PHE 29 1.039 -6.065 3.172
219 HD2 PHE 29 2HD PHE 29 -0.852 -8.848 0.596
220 HE1 PHE 29 1HE PHE 29 -0.806 -6.257 4.754
221 HE2 PHE 29 2HE PHE 29 -2.720 -9.054 2.169
222 HZ PHE 29 HZ PHE 29 -2.701 -7.746 4.271
223 HA PRO 30 HA PRO 30 4.648 -9.157 -2.614
224 HB2 PRO 30 2HB PRO 30 2.699 -8.329 -4.616
225 HB3 PRO 30 1HB PRO 30 3.522 -9.877 -4.445
226 HG2 PRO 30 2HG PRO 30 0.862 -9.503 -3.972
227 HG3 PRO 30 1HG PRO 30 1.830 -10.781 -3.208
228 HD2 PRO 30 2HD PRO 30 0.861 -8.195 -2.113
229 HD3 PRO 30 1HD PRO 30 1.082 -9.755 -1.298
230 H GLY 31 HN GLY 31 2.473 -6.378 -2.308
231 HA2 GLY 31 2HA GLY 31 4.546 -4.529 -2.483
232 HA3 GLY 31 1HA GLY 31 3.823 -4.670 -4.077
233 H GLY 32 HN GLY 32 3.592 -2.289 -3.269
234 HA2 GLY 32 2HA GLY 32 0.948 -2.032 -2.032
235 HA3 GLY 32 1HA GLY 32 2.272 -0.920 -1.691
236 H ARG 33 HN ARG 33 -0.025 0.099 -2.593
237 HA ARG 33 HA ARG 33 0.650 1.140 -5.234
238 HB2 ARG 33 2HB ARG 33 -0.770 -0.882 -5.545
239 HB3 ARG 33 1HB ARG 33 -1.994 -0.119 -4.535
240 HG2 ARG 33 2HG ARG 33 -2.651 0.063 -6.823
241 HG3 ARG 33 1HG ARG 33 -2.201 1.663 -6.240
242 HD2 ARG 33 2HD ARG 33 -0.022 1.456 -7.318
243 HD3 ARG 33 1HD ARG 33 -0.431 -0.166 -7.856
244 HE ARG 33 HE ARG 33 -2.448 1.337 -8.816
245 HH11 ARG 33 1HH1 ARG 33 1.061 1.530 -9.173
246 HH12 ARG 33 2HH1 ARG 33 1.002 2.228 -10.734
247 HH21 ARG 33 1HH2 ARG 33 -2.514 2.270 -10.948
248 HH22 ARG 33 2HH2 ARG 33 -1.061 2.661 -11.742
249 H CYS 34 HN CYS 34 -0.555 3.082 -5.630
250 HA CYS 34 HA CYS 34 -1.413 4.516 -3.290
251 HB2 CYS 34 2HB CYS 34 -1.290 5.259 -6.211
252 HB3 CYS 34 1HB CYS 34 -2.029 6.310 -5.012
253 H ARG 35 HN ARG 35 -3.374 4.680 -2.586
254 HA ARG 35 HA ARG 35 -5.667 4.188 -4.297
255 HB2 ARG 35 2HB ARG 35 -5.142 1.933 -3.632
256 HB3 ARG 35 1HB ARG 35 -4.944 2.426 -1.964
257 HG2 ARG 35 2HG ARG 35 -7.004 1.172 -2.290
258 HG3 ARG 35 1HG ARG 35 -7.333 2.818 -1.767
259 HD2 ARG 35 2HD ARG 35 -7.954 3.446 -4.008
260 HD3 ARG 35 1HD ARG 35 -7.472 1.862 -4.624
261 HE ARG 35 HE ARG 35 -9.232 1.004 -3.020
262 HH11 ARG 35 1HH1 ARG 35 -9.599 4.189 -4.550
263 HH12 ARG 35 2HH1 ARG 35 -11.288 4.068 -4.678
264 HH21 ARG 35 1HH2 ARG 35 -11.552 0.867 -3.218
265 HH22 ARG 35 2HH2 ARG 35 -12.417 2.179 -3.884
266 H GLY 36 HN GLY 36 -4.349 4.822 -1.102
267 HA2 GLY 36 2HA GLY 36 -6.623 5.827 0.086
268 HA3 GLY 36 1HA GLY 36 -4.978 6.269 0.514
269 H PHE 37 HN PHE 37 -7.656 7.692 0.009
270 HA PHE 37 HA PHE 37 -7.437 9.474 -2.128
271 HB2 PHE 37 2HB PHE 37 -9.502 9.153 -0.837
272 HB3 PHE 37 1HB PHE 37 -8.746 9.873 0.576
273 HD1 PHE 37 1HD PHE 37 -9.849 10.600 -2.892
274 HD2 PHE 37 2HD PHE 37 -8.850 12.192 0.932
275 HE1 PHE 37 1HE PHE 37 -10.698 12.800 -3.587
276 HE2 PHE 37 2HE PHE 37 -9.690 14.389 0.246
277 HZ PHE 37 HZ PHE 37 -10.622 14.700 -2.020
278 H ARG 38 HN ARG 38 -6.005 9.496 1.021
279 HA ARG 38 HA ARG 38 -4.882 12.175 0.735
280 HB2 ARG 38 2HB ARG 38 -4.613 10.144 2.955
281 HB3 ARG 38 1HB ARG 38 -4.068 11.809 3.004
282 HG2 ARG 38 2HG ARG 38 -6.325 12.613 2.926
283 HG3 ARG 38 1HG ARG 38 -6.941 10.972 2.707
284 HD2 ARG 38 2HD ARG 38 -7.181 11.651 5.039
285 HD3 ARG 38 1HD ARG 38 -6.014 10.343 4.877
286 HE ARG 38 HE ARG 38 -4.990 13.053 4.921
287 HH11 ARG 38 1HH1 ARG 38 -5.481 10.025 6.688
288 HH12 ARG 38 2HH1 ARG 38 -4.354 10.424 7.911
289 HH21 ARG 38 1HH2 ARG 38 -3.470 13.560 6.582
290 HH22 ARG 38 2HH2 ARG 38 -3.202 12.464 7.869
291 H ARG 39 HN ARG 39 -4.111 9.700 -0.896
292 HA ARG 39 HA ARG 39 -2.296 8.844 -1.921
293 HB2 ARG 39 2HB ARG 39 -0.757 10.992 -0.432
294 HB3 ARG 39 1HB ARG 39 -0.072 9.972 -1.683
295 HG2 ARG 39 2HG ARG 39 -2.329 11.929 -2.052
296 HG3 ARG 39 1HG ARG 39 -0.647 12.202 -2.510
297 HD2 ARG 39 2HD ARG 39 -0.794 10.310 -4.078
298 HD3 ARG 39 1HD ARG 39 -2.480 10.071 -3.617
299 HE ARG 39 HE ARG 39 -1.993 12.726 -4.456
300 HH11 ARG 39 1HH1 ARG 39 -2.482 9.470 -5.798
301 HH12 ARG 39 2HH1 ARG 39 -3.177 10.040 -7.242
302 HH21 ARG 39 1HH2 ARG 39 -2.924 13.465 -6.443
303 HH22 ARG 39 2HH2 ARG 39 -3.421 12.341 -7.624
304 H ARG 40 HN ARG 40 -3.209 7.526 0.233
305 HA ARG 40 HA ARG 40 -0.842 6.795 1.770
306 HB2 ARG 40 2HB ARG 40 -3.735 6.054 2.230
307 HB3 ARG 40 1HB ARG 40 -2.397 5.460 3.199
308 HG2 ARG 40 2HG ARG 40 -1.846 7.823 3.773
309 HG3 ARG 40 1HG ARG 40 -3.314 8.312 2.927
310 HD2 ARG 40 2HD ARG 40 -3.703 8.142 5.327
311 HD3 ARG 40 1HD ARG 40 -4.644 6.933 4.452
312 HE ARG 40 HE ARG 40 -2.241 5.748 5.165
313 HH11 ARG 40 1HH1 ARG 40 -5.071 7.076 6.850
314 HH12 ARG 40 2HH1 ARG 40 -4.929 6.028 8.183
315 HH21 ARG 40 1HH2 ARG 40 -2.067 4.295 6.998
316 HH22 ARG 40 2HH2 ARG 40 -3.187 4.446 8.271
317 H CYS 41 HN CYS 41 -0.198 4.652 2.025
318 HA CYS 41 HA CYS 41 -0.215 3.274 -0.496
319 HB2 CYS 41 2HB CYS 41 1.879 3.623 0.720
320 HB3 CYS 41 1HB CYS 41 1.249 2.728 2.092
321 H PHE 42 HN PHE 42 -1.365 1.571 -0.979
322 HA PHE 42 HA PHE 42 -2.570 0.009 1.175
323 HB2 PHE 42 2HB PHE 42 -3.667 0.773 -1.516
324 HB3 PHE 42 1HB PHE 42 -4.187 -0.680 -0.674
325 HD1 PHE 42 1HD PHE 42 -3.548 2.822 0.448
326 HD2 PHE 42 2HD PHE 42 -6.259 -0.427 0.160
327 HE1 PHE 42 1HE PHE 42 -5.228 4.127 1.689
328 HE2 PHE 42 2HE PHE 42 -7.950 0.886 1.415
329 HZ PHE 42 HZ PHE 42 -7.430 3.142 2.171
330 H CYS 43 HN CYS 43 -2.196 -2.042 1.157
331 HA CYS 43 HA CYS 43 -0.135 -3.019 -0.558
332 HB2 CYS 43 2HB CYS 43 -1.671 -4.311 1.677
333 HB3 CYS 43 1HB CYS 43 -0.161 -4.886 0.966
334 H THR 44 HN THR 44 -0.490 -4.143 -2.328
335 HA THR 44 HA THR 44 -3.197 -4.899 -3.011
336 HB THR 44 HB THR 44 -0.653 -5.198 -4.630
337 HG1 THR 44 1HG THR 44 -1.731 -2.988 -3.835
338 HG21 THR 44 1HG2 THR 44 -2.202 -5.242 -6.547
339 HG22 THR 44 2HG2 THR 44 -3.572 -5.106 -5.442
340 HG23 THR 44 3HG2 THR 44 -2.559 -6.547 -5.414
341 H THR 45 HN THR 45 -3.915 -6.895 -2.698
342 HA THR 45 HA THR 45 -2.000 -9.070 -2.666
343 HB THR 45 HB THR 45 -2.596 -8.471 -0.308
344 HG1 THR 45 1HG THR 45 -3.699 -10.743 0.003
345 HG21 THR 45 1HG2 THR 45 -4.857 -8.927 0.533
346 HG22 THR 45 2HG2 THR 45 -5.390 -9.300 -1.104
347 HG23 THR 45 3HG2 THR 45 -4.890 -7.658 -0.693
348 H HIS 46 HN HIS 46 -3.284 -11.173 -2.874
349 HA HIS 46 HA HIS 46 -5.328 -10.729 -4.916
350 HB2 HIS 46 2HB HIS 46 -3.117 -11.883 -5.524
351 HB3 HIS 46 1HB HIS 46 -3.657 -13.211 -4.513
352 HD1 HIS 46 1HD HIS 46 -3.748 -12.059 -7.935
353 HD2 HIS 46 2HD HIS 46 -6.236 -14.309 -5.482
354 HE1 HIS 46 1HE HIS 46 -5.278 -13.323 -9.476
355 H CYS 47 HN CYS 47 -7.282 -11.333 -4.390
356 HA CYS 47 HA CYS 47 -7.641 -13.034 -2.108
357 HB2 CYS 47 2HB CYS 47 -9.567 -11.323 -3.675
358 HB3 CYS 47 1HB CYS 47 -10.111 -12.431 -2.425
Start of MODEL 15
1 H1 ARG 1 1HT ARG 1 -11.021 -9.411 -6.657
2 H2 ARG 1 2HT ARG 1 -10.858 -10.640 -5.540
3 H3 ARG 1 3HT ARG 1 -11.706 -10.938 -6.937
4 HA ARG 1 HA ARG 1 -9.557 -11.955 -7.012
5 HB2 ARG 1 2HB ARG 1 -9.836 -9.551 -8.829
6 HB3 ARG 1 1HB ARG 1 -8.651 -10.816 -9.076
7 HG2 ARG 1 2HG ARG 1 -10.361 -12.438 -9.468
8 HG3 ARG 1 1HG ARG 1 -11.619 -11.300 -8.980
9 HD2 ARG 1 2HD ARG 1 -9.784 -10.959 -11.350
10 HD3 ARG 1 1HD ARG 1 -11.453 -11.528 -11.431
11 HE ARG 1 HE ARG 1 -11.680 -9.206 -10.104
12 HH11 ARG 1 1HH1 ARG 1 -10.186 -9.988 -13.211
13 HH12 ARG 1 2HH1 ARG 1 -10.441 -8.447 -13.872
14 HH21 ARG 1 1HH2 ARG 1 -12.024 -7.131 -10.987
15 HH22 ARG 1 2HH2 ARG 1 -11.524 -6.765 -12.570
16 H THR 2 HN THR 2 -8.837 -8.441 -7.291
17 HA THR 2 HA THR 2 -6.542 -8.951 -5.569
18 HB THR 2 HB THR 2 -5.765 -6.719 -6.569
19 HG1 THR 2 1HG THR 2 -7.965 -6.351 -7.460
20 HG21 THR 2 1HG2 THR 2 -6.064 -9.117 -8.392
21 HG22 THR 2 2HG2 THR 2 -4.787 -8.884 -7.200
22 HG23 THR 2 3HG2 THR 2 -4.894 -7.813 -8.597
23 H CYS 3 HN CYS 3 -6.732 -8.218 -3.568
24 HA CYS 3 HA CYS 3 -8.689 -6.149 -3.003
25 HB2 CYS 3 2HB CYS 3 -7.439 -8.307 -1.298
26 HB3 CYS 3 1HB CYS 3 -8.336 -6.965 -0.607
27 H GLN 4 HN GLN 4 -8.057 -4.375 -1.987
28 HA GLN 4 HA GLN 4 -5.165 -3.971 -1.579
29 HB2 GLN 4 2HB GLN 4 -7.350 -1.965 -2.161
30 HB3 GLN 4 1HB GLN 4 -5.680 -1.555 -1.865
31 HG2 GLN 4 2HG GLN 4 -6.746 -3.111 -4.206
32 HG3 GLN 4 1HG GLN 4 -6.222 -1.428 -4.206
33 HE21 GLN 4 1HE2 GLN 4 -5.272 -3.578 -5.822
34 HE22 GLN 4 2HE2 GLN 4 -3.576 -3.733 -5.489
35 H SER 5 HN SER 5 -4.620 -3.935 0.410
36 HA SER 5 HA SER 5 -6.592 -3.107 2.419
37 HB2 SER 5 2HB SER 5 -4.199 -4.937 2.684
38 HB3 SER 5 1HB SER 5 -5.350 -4.528 3.954
39 HG SER 5 HG SER 5 -6.953 -5.374 2.371
40 H GLN 6 HN GLN 6 -6.039 -1.317 3.555
41 HA GLN 6 HA GLN 6 -3.790 0.230 2.854
42 HB2 GLN 6 2HB GLN 6 -4.371 1.647 4.813
43 HB3 GLN 6 1HB GLN 6 -5.754 1.305 3.785
44 HG2 GLN 6 2HG GLN 6 -6.512 -0.393 5.351
45 HG3 GLN 6 1HG GLN 6 -5.110 -0.087 6.375
46 HE21 GLN 6 1HE2 GLN 6 -8.135 1.091 5.254
47 HE22 GLN 6 2HE2 GLN 6 -8.331 2.327 6.444
48 H SER 7 HN SER 7 -1.742 0.323 3.609
49 HA SER 7 HA SER 7 -0.586 -1.749 5.024
50 HB2 SER 7 2HB SER 7 0.426 1.066 4.862
51 HB3 SER 7 1HB SER 7 1.371 -0.429 4.879
52 HG SER 7 HG SER 7 0.708 -0.868 2.812
53 H HIS 8 HN HIS 8 0.360 -1.724 7.173
54 HA HIS 8 HA HIS 8 -1.243 -0.114 9.041
55 HB2 HIS 8 2HB HIS 8 0.332 -2.642 9.567
56 HB3 HIS 8 1HB HIS 8 -0.672 -1.788 10.729
57 HD1 HIS 8 1HD HIS 8 -0.804 -4.123 7.883
58 HD2 HIS 8 2HD HIS 8 -3.428 -2.135 10.386
59 HE1 HIS 8 1HE HIS 8 -3.047 -5.289 7.589
60 H ARG 9 HN ARG 9 1.967 -0.850 7.974
61 HA ARG 9 HA ARG 9 2.974 0.977 10.047
62 HB2 ARG 9 2HB ARG 9 5.089 -0.280 10.023
63 HB3 ARG 9 1HB ARG 9 3.724 -1.270 10.505
64 HG2 ARG 9 2HG ARG 9 3.665 -2.129 8.133
65 HG3 ARG 9 1HG ARG 9 5.203 -1.290 7.903
66 HD2 ARG 9 2HD ARG 9 4.670 -3.357 10.009
67 HD3 ARG 9 1HD ARG 9 5.472 -3.686 8.472
68 HE ARG 9 HE ARG 9 7.043 -1.862 9.325
69 HH11 ARG 9 1HH1 ARG 9 5.475 -4.290 11.361
70 HH12 ARG 9 2HH1 ARG 9 6.748 -4.433 12.481
71 HH21 ARG 9 1HH2 ARG 9 8.813 -1.990 10.889
72 HH22 ARG 9 2HH2 ARG 9 8.726 -3.074 12.194
73 H PHE 10 HN PHE 10 2.037 1.615 7.364
74 HA PHE 10 HA PHE 10 4.412 2.317 5.890
75 HB2 PHE 10 2HB PHE 10 2.321 1.820 4.666
76 HB3 PHE 10 1HB PHE 10 1.529 3.189 5.439
77 HD1 PHE 10 1HD PHE 10 1.645 5.321 4.448
78 HD2 PHE 10 2HD PHE 10 4.329 2.264 3.195
79 HE1 PHE 10 1HE PHE 10 2.455 6.763 2.645
80 HE2 PHE 10 2HE PHE 10 5.132 3.712 1.395
81 HZ PHE 10 HZ PHE 10 4.205 5.961 1.121
82 H ARG 11 HN ARG 11 5.079 4.493 5.480
83 HA ARG 11 HA ARG 11 4.270 6.434 7.480
84 HB2 ARG 11 2HB ARG 11 6.659 6.903 8.000
85 HB3 ARG 11 1HB ARG 11 6.109 5.328 8.544
86 HG2 ARG 11 2HG ARG 11 7.158 4.336 6.510
87 HG3 ARG 11 1HG ARG 11 7.827 5.927 6.143
88 HD2 ARG 11 2HD ARG 11 9.006 5.936 8.260
89 HD3 ARG 11 1HD ARG 11 8.281 4.385 8.674
90 HE ARG 11 HE ARG 11 10.074 4.709 6.349
91 HH11 ARG 11 1HH1 ARG 11 9.198 2.976 9.311
92 HH12 ARG 11 2HH1 ARG 11 10.329 1.719 9.069
93 HH21 ARG 11 1HH2 ARG 11 11.625 3.015 6.056
94 HH22 ARG 11 2HH2 ARG 11 11.739 1.737 7.175
95 H GLY 12 HN GLY 12 4.241 8.456 6.683
96 HA2 GLY 12 2HA GLY 12 4.855 10.282 5.426
97 HA3 GLY 12 1HA GLY 12 5.986 9.283 4.539
98 HA PRO 13 HA PRO 13 2.476 10.076 1.711
99 HB2 PRO 13 2HB PRO 13 3.884 11.008 -0.369
100 HB3 PRO 13 1HB PRO 13 3.509 12.034 1.021
101 HG2 PRO 13 2HG PRO 13 6.053 10.660 0.309
102 HG3 PRO 13 1HG PRO 13 5.808 12.250 1.050
103 HD2 PRO 13 2HD PRO 13 6.471 9.912 2.403
104 HD3 PRO 13 1HD PRO 13 5.783 11.367 3.146
105 H CYS 14 HN CYS 14 1.764 8.867 -0.105
106 HA CYS 14 HA CYS 14 3.057 6.320 -0.438
107 HB2 CYS 14 2HB CYS 14 0.555 6.680 -0.491
108 HB3 CYS 14 1HB CYS 14 0.763 7.406 -2.076
109 H LEU 15 HN LEU 15 3.591 9.295 -1.824
110 HA LEU 15 HA LEU 15 4.140 8.650 -4.502
111 HB2 LEU 15 2HB LEU 15 5.304 10.798 -2.733
112 HB3 LEU 15 1HB LEU 15 5.756 10.638 -4.415
113 HG LEU 15 HG LEU 15 4.185 12.401 -4.261
114 HD11 LEU 15 1HD1 LEU 15 2.353 11.684 -5.672
115 HD12 LEU 15 2HD1 LEU 15 2.740 10.002 -5.330
116 HD13 LEU 15 3HD1 LEU 15 3.899 11.014 -6.197
117 HD21 LEU 15 1HD2 LEU 15 2.336 10.529 -2.773
118 HD22 LEU 15 2HD2 LEU 15 1.910 12.145 -3.336
119 HD23 LEU 15 3HD2 LEU 15 3.159 11.943 -2.111
120 H ARG 16 HN ARG 16 5.866 8.026 -1.607
121 HA ARG 16 HA ARG 16 8.214 7.119 -3.008
122 HB2 ARG 16 2HB ARG 16 7.367 6.666 -0.139
123 HB3 ARG 16 1HB ARG 16 8.928 6.238 -0.816
124 HG2 ARG 16 2HG ARG 16 9.309 8.679 -1.235
125 HG3 ARG 16 1HG ARG 16 7.808 8.983 -0.369
126 HD2 ARG 16 2HD ARG 16 9.722 9.216 1.141
127 HD3 ARG 16 1HD ARG 16 8.670 7.871 1.590
128 HE ARG 16 HE ARG 16 10.963 7.207 -0.056
129 HH11 ARG 16 1HH1 ARG 16 9.659 7.333 3.225
130 HH12 ARG 16 2HH1 ARG 16 10.763 6.219 3.889
131 HH21 ARG 16 1HH2 ARG 16 12.503 5.671 0.869
132 HH22 ARG 16 2HH2 ARG 16 12.415 5.254 2.515
133 H ARG 17 HN ARG 17 7.261 5.702 -4.438
134 HA ARG 17 HA ARG 17 5.492 3.622 -3.670
135 HB2 ARG 17 2HB ARG 17 5.967 2.640 -5.921
136 HB3 ARG 17 1HB ARG 17 5.393 4.297 -5.936
137 HG2 ARG 17 2HG ARG 17 7.695 5.074 -6.269
138 HG3 ARG 17 1HG ARG 17 8.248 3.395 -6.286
139 HD2 ARG 17 2HD ARG 17 7.963 4.325 -8.540
140 HD3 ARG 17 1HD ARG 17 6.892 2.955 -8.239
141 HE ARG 17 HE ARG 17 5.486 5.228 -7.563
142 HH11 ARG 17 1HH1 ARG 17 6.969 3.939 -10.505
143 HH12 ARG 17 2HH1 ARG 17 5.782 4.582 -11.542
144 HH21 ARG 17 1HH2 ARG 17 3.861 6.091 -8.980
145 HH22 ARG 17 2HH2 ARG 17 3.975 5.826 -10.653
146 H SER 18 HN SER 18 8.957 3.808 -3.865
147 HA SER 18 HA SER 18 9.549 1.079 -3.690
148 HB2 SER 18 2HB SER 18 11.679 2.115 -2.675
149 HB3 SER 18 1HB SER 18 11.251 2.567 -4.332
150 HG SER 18 HG SER 18 11.788 4.292 -2.754
151 H ASN 19 HN ASN 19 8.971 3.610 -1.395
152 HA ASN 19 HA ASN 19 9.399 2.166 1.004
153 HB2 ASN 19 2HB ASN 19 9.386 4.612 0.945
154 HB3 ASN 19 1HB ASN 19 7.703 4.600 0.445
155 HD21 ASN 19 1HD2 ASN 19 7.090 5.849 2.168
156 HD22 ASN 19 2HD2 ASN 19 7.011 5.263 3.771
157 H CYS 20 HN CYS 20 6.471 3.011 -0.800
158 HA CYS 20 HA CYS 20 4.544 1.749 0.754
159 HB2 CYS 20 2HB CYS 20 4.006 3.283 -1.090
160 HB3 CYS 20 1HB CYS 20 4.642 2.134 -2.253
161 H ALA 21 HN ALA 21 6.305 0.418 -2.047
162 HA ALA 21 HA ALA 21 5.176 -2.147 -1.889
163 HB1 ALA 21 1HB ALA 21 6.909 -2.812 -3.426
164 HB2 ALA 21 2HB ALA 21 7.828 -1.355 -3.054
165 HB3 ALA 21 3HB ALA 21 6.281 -1.228 -3.889
166 H ASN 22 HN ASN 22 8.070 -0.749 -0.394
167 HA ASN 22 HA ASN 22 9.048 -3.260 0.505
168 HB2 ASN 22 2HB ASN 22 10.524 -1.273 0.268
169 HB3 ASN 22 1HB ASN 22 9.697 -0.527 1.630
170 HD21 ASN 22 1HD2 ASN 22 10.227 -1.180 3.703
171 HD22 ASN 22 2HD2 ASN 22 11.485 -2.304 4.041
172 H VAL 23 HN VAL 23 7.110 -0.730 2.036
173 HA VAL 23 HA VAL 23 6.872 -1.917 4.557
174 HB VAL 23 HB VAL 23 4.932 -0.121 3.053
175 HG11 VAL 23 1HG1 VAL 23 3.814 0.253 5.211
176 HG12 VAL 23 2HG1 VAL 23 4.856 -0.963 5.949
177 HG13 VAL 23 3HG1 VAL 23 3.695 -1.436 4.711
178 HG21 VAL 23 1HG2 VAL 23 7.053 0.902 3.620
179 HG22 VAL 23 2HG2 VAL 23 6.863 0.420 5.306
180 HG23 VAL 23 3HG2 VAL 23 5.764 1.601 4.594
181 H CYS 24 HN CYS 24 4.716 -2.136 1.752
182 HA CYS 24 HA CYS 24 3.020 -4.036 2.826
183 HB2 CYS 24 2HB CYS 24 3.727 -3.382 -0.015
184 HB3 CYS 24 1HB CYS 24 2.462 -4.532 0.387
185 H ARG 25 HN ARG 25 6.084 -4.481 1.135
186 HA ARG 25 HA ARG 25 5.889 -7.287 0.975
187 HB2 ARG 25 2HB ARG 25 7.532 -5.983 -0.338
188 HB3 ARG 25 1HB ARG 25 8.390 -5.589 1.144
189 HG2 ARG 25 2HG ARG 25 8.934 -7.920 1.489
190 HG3 ARG 25 1HG ARG 25 7.998 -8.372 0.066
191 HD2 ARG 25 2HD ARG 25 9.515 -7.031 -1.328
192 HD3 ARG 25 1HD ARG 25 10.467 -6.642 0.106
193 HE ARG 25 HE ARG 25 10.446 -9.305 0.167
194 HH11 ARG 25 1HH1 ARG 25 11.248 -7.084 -2.480
195 HH12 ARG 25 2HH1 ARG 25 12.320 -8.188 -3.220
196 HH21 ARG 25 1HH2 ARG 25 11.913 -10.762 -0.867
197 HH22 ARG 25 2HH2 ARG 25 12.693 -10.307 -2.301
198 H THR 26 HN THR 26 7.289 -5.146 3.460
199 HA THR 26 HA THR 26 8.083 -7.297 5.097
200 HB THR 26 HB THR 26 8.293 -5.572 6.930
201 HG1 THR 26 1HG THR 26 6.716 -4.125 5.271
202 HG21 THR 26 1HG2 THR 26 9.561 -4.918 4.270
203 HG22 THR 26 2HG2 THR 26 10.167 -6.071 5.460
204 HG23 THR 26 3HG2 THR 26 10.136 -4.350 5.834
205 H GLU 27 HN GLU 27 5.024 -5.799 4.611
206 HA GLU 27 HA GLU 27 3.953 -7.071 6.966
207 HB2 GLU 27 2HB GLU 27 2.632 -5.353 4.869
208 HB3 GLU 27 1HB GLU 27 1.753 -6.107 6.194
209 HG2 GLU 27 2HG GLU 27 3.362 -4.894 7.740
210 HG3 GLU 27 1HG GLU 27 3.852 -3.969 6.324
211 H GLY 28 HN GLY 28 4.887 -8.266 4.188
212 HA2 GLY 28 2HA GLY 28 4.628 -10.457 3.480
213 HA3 GLY 28 1HA GLY 28 3.247 -10.613 4.551
214 H PHE 29 HN PHE 29 3.602 -8.136 2.087
215 HA PHE 29 HA PHE 29 1.453 -9.460 0.630
216 HB2 PHE 29 2HB PHE 29 1.952 -6.509 1.018
217 HB3 PHE 29 1HB PHE 29 0.749 -7.167 -0.087
218 HD1 PHE 29 1HD PHE 29 1.355 -6.025 3.202
219 HD2 PHE 29 2HD PHE 29 -0.958 -8.772 0.953
220 HE1 PHE 29 1HE PHE 29 -0.281 -6.124 5.032
221 HE2 PHE 29 2HE PHE 29 -2.604 -8.890 2.753
222 HZ PHE 29 HZ PHE 29 -2.279 -7.558 4.815
223 HA PRO 30 HA PRO 30 4.017 -9.684 -3.001
224 HB2 PRO 30 2HB PRO 30 1.633 -8.688 -4.467
225 HB3 PRO 30 1HB PRO 30 2.596 -10.140 -4.752
226 HG2 PRO 30 2HG PRO 30 0.187 -10.304 -3.630
227 HG3 PRO 30 1HG PRO 30 1.524 -11.340 -3.091
228 HD2 PRO 30 2HD PRO 30 0.334 -8.944 -1.777
229 HD3 PRO 30 1HD PRO 30 0.990 -10.425 -1.061
230 H GLY 31 HN GLY 31 1.973 -6.783 -2.676
231 HA2 GLY 31 2HA GLY 31 4.179 -5.051 -3.116
232 HA3 GLY 31 1HA GLY 31 3.179 -5.149 -4.556
233 H GLY 32 HN GLY 32 3.244 -2.757 -3.761
234 HA2 GLY 32 2HA GLY 32 0.730 -2.325 -2.327
235 HA3 GLY 32 1HA GLY 32 2.169 -1.404 -1.887
236 H ARG 33 HN ARG 33 -0.370 -0.459 -2.961
237 HA ARG 33 HA ARG 33 0.651 0.977 -5.318
238 HB2 ARG 33 2HB ARG 33 -2.122 -0.214 -5.112
239 HB3 ARG 33 1HB ARG 33 -1.491 0.732 -6.450
240 HG2 ARG 33 2HG ARG 33 0.100 -1.023 -6.960
241 HG3 ARG 33 1HG ARG 33 -0.470 -1.954 -5.579
242 HD2 ARG 33 2HD ARG 33 -2.724 -1.991 -6.610
243 HD3 ARG 33 1HD ARG 33 -2.036 -1.210 -8.037
244 HE ARG 33 HE ARG 33 -0.487 -3.415 -7.455
245 HH11 ARG 33 1HH1 ARG 33 -3.752 -2.716 -8.633
246 HH12 ARG 33 2HH1 ARG 33 -3.967 -4.238 -9.371
247 HH21 ARG 33 1HH2 ARG 33 -0.761 -5.491 -8.421
248 HH22 ARG 33 2HH2 ARG 33 -2.190 -5.872 -9.265
249 H CYS 34 HN CYS 34 -0.455 2.997 -5.642
250 HA CYS 34 HA CYS 34 -1.576 4.094 -3.176
251 HB2 CYS 34 2HB CYS 34 -0.728 5.496 -5.723
252 HB3 CYS 34 1HB CYS 34 -1.161 6.264 -4.204
253 H ARG 35 HN ARG 35 -3.786 4.173 -3.081
254 HA ARG 35 HA ARG 35 -5.134 4.878 -5.592
255 HB2 ARG 35 2HB ARG 35 -6.807 3.235 -5.441
256 HB3 ARG 35 1HB ARG 35 -5.314 2.398 -5.043
257 HG2 ARG 35 2HG ARG 35 -5.866 2.381 -2.718
258 HG3 ARG 35 1HG ARG 35 -7.283 3.395 -3.007
259 HD2 ARG 35 2HD ARG 35 -8.158 1.602 -4.509
260 HD3 ARG 35 1HD ARG 35 -6.815 0.592 -3.988
261 HE ARG 35 HE ARG 35 -8.170 1.530 -1.731
262 HH11 ARG 35 1HH1 ARG 35 -8.694 -0.701 -4.444
263 HH12 ARG 35 2HH1 ARG 35 -9.765 -1.704 -3.592
264 HH21 ARG 35 1HH2 ARG 35 -9.687 0.153 -0.585
265 HH22 ARG 35 2HH2 ARG 35 -10.331 -1.214 -1.364
266 H GLY 36 HN GLY 36 -4.490 5.927 -2.702
267 HA2 GLY 36 2HA GLY 36 -7.205 6.684 -1.891
268 HA3 GLY 36 1HA GLY 36 -5.746 6.872 -0.924
269 H PHE 37 HN PHE 37 -7.656 8.908 -1.321
270 HA PHE 37 HA PHE 37 -6.887 10.687 -3.402
271 HB2 PHE 37 2HB PHE 37 -9.136 10.721 -2.366
272 HB3 PHE 37 1HB PHE 37 -8.425 11.263 -0.855
273 HD1 PHE 37 1HD PHE 37 -9.071 12.202 -4.358
274 HD2 PHE 37 2HD PHE 37 -7.949 13.545 -0.479
275 HE1 PHE 37 1HE PHE 37 -9.343 14.530 -5.090
276 HE2 PHE 37 2HE PHE 37 -8.216 15.874 -1.206
277 HZ PHE 37 HZ PHE 37 -8.918 16.368 -3.520
278 H ARG 38 HN ARG 38 -6.006 10.373 -0.024
279 HA ARG 38 HA ARG 38 -4.202 12.670 -0.095
280 HB2 ARG 38 2HB ARG 38 -4.815 10.605 2.026
281 HB3 ARG 38 1HB ARG 38 -3.597 11.853 2.227
282 HG2 ARG 38 2HG ARG 38 -5.252 13.573 2.104
283 HG3 ARG 38 1HG ARG 38 -6.502 12.401 1.684
284 HD2 ARG 38 2HD ARG 38 -4.937 12.359 4.259
285 HD3 ARG 38 1HD ARG 38 -6.518 13.119 4.080
286 HE ARG 38 HE ARG 38 -7.119 10.726 3.245
287 HH11 ARG 38 1HH1 ARG 38 -4.998 11.498 6.013
288 HH12 ARG 38 2HH1 ARG 38 -5.463 10.121 6.889
289 HH21 ARG 38 1HH2 ARG 38 -7.767 8.844 4.543
290 HH22 ARG 38 2HH2 ARG 38 -7.075 8.648 6.080
291 H ARG 39 HN ARG 39 -4.169 9.866 -1.398
292 HA ARG 39 HA ARG 39 -2.780 8.345 -2.203
293 HB2 ARG 39 2HB ARG 39 -0.461 10.184 -1.566
294 HB3 ARG 39 1HB ARG 39 -0.546 8.960 -2.816
295 HG2 ARG 39 2HG ARG 39 -2.063 11.558 -2.746
296 HG3 ARG 39 1HG ARG 39 -0.692 11.165 -3.780
297 HD2 ARG 39 2HD ARG 39 -1.976 9.516 -4.944
298 HD3 ARG 39 1HD ARG 39 -3.314 9.688 -3.806
299 HE ARG 39 HE ARG 39 -2.527 12.074 -5.217
300 HH11 ARG 39 1HH1 ARG 39 -4.744 9.309 -5.119
301 HH12 ARG 39 2HH1 ARG 39 -5.941 10.047 -6.090
302 HH21 ARG 39 1HH2 ARG 39 -4.209 13.090 -6.523
303 HH22 ARG 39 2HH2 ARG 39 -5.624 12.229 -6.885
304 H ARG 40 HN ARG 40 -3.368 7.039 -0.525
305 HA ARG 40 HA ARG 40 -1.302 6.623 1.496
306 HB2 ARG 40 2HB ARG 40 -4.173 5.702 1.347
307 HB3 ARG 40 1HB ARG 40 -3.059 5.130 2.571
308 HG2 ARG 40 2HG ARG 40 -2.777 7.452 3.340
309 HG3 ARG 40 1HG ARG 40 -3.967 7.978 2.155
310 HD2 ARG 40 2HD ARG 40 -5.059 7.734 4.298
311 HD3 ARG 40 1HD ARG 40 -5.603 6.447 3.222
312 HE ARG 40 HE ARG 40 -3.380 5.720 4.867
313 HH11 ARG 40 1HH1 ARG 40 -6.949 5.881 4.764
314 HH12 ARG 40 2HH1 ARG 40 -7.167 4.688 5.931
315 HH21 ARG 40 1HH2 ARG 40 -3.708 4.083 6.495
316 HH22 ARG 40 2HH2 ARG 40 -5.278 3.602 6.930
317 H CYS 41 HN CYS 41 -0.532 4.497 1.804
318 HA CYS 41 HA CYS 41 -0.287 3.075 -0.686
319 HB2 CYS 41 2HB CYS 41 1.717 3.505 0.658
320 HB3 CYS 41 1HB CYS 41 1.000 2.669 2.024
321 H PHE 42 HN PHE 42 -1.348 1.332 -1.166
322 HA PHE 42 HA PHE 42 -2.758 -0.118 0.936
323 HB2 PHE 42 2HB PHE 42 -3.610 0.422 -1.922
324 HB3 PHE 42 1HB PHE 42 -4.324 -0.793 -0.863
325 HD1 PHE 42 1HD PHE 42 -5.996 -0.246 0.631
326 HD2 PHE 42 2HD PHE 42 -3.755 2.845 -1.208
327 HE1 PHE 42 1HE PHE 42 -7.544 1.411 1.570
328 HE2 PHE 42 2HE PHE 42 -5.301 4.534 -0.266
329 HZ PHE 42 HZ PHE 42 -7.202 3.810 1.120
330 H CYS 43 HN CYS 43 -2.158 -2.091 1.117
331 HA CYS 43 HA CYS 43 -0.173 -3.171 -0.632
332 HB2 CYS 43 2HB CYS 43 -1.502 -4.265 1.838
333 HB3 CYS 43 1HB CYS 43 -0.103 -4.964 1.028
334 H THR 44 HN THR 44 -0.604 -4.428 -2.247
335 HA THR 44 HA THR 44 -3.280 -5.241 -2.837
336 HB THR 44 HB THR 44 -0.713 -5.873 -4.310
337 HG1 THR 44 1HG THR 44 -2.079 -3.540 -3.918
338 HG21 THR 44 1HG2 THR 44 -2.696 -7.199 -4.986
339 HG22 THR 44 2HG2 THR 44 -2.216 -6.067 -6.253
340 HG23 THR 44 3HG2 THR 44 -3.598 -5.701 -5.220
341 H THR 45 HN THR 45 -4.093 -7.061 -2.134
342 HA THR 45 HA THR 45 -2.338 -9.337 -1.690
343 HB THR 45 HB THR 45 -2.873 -8.303 0.468
344 HG1 THR 45 1HG THR 45 -2.875 -10.692 0.194
345 HG21 THR 45 1HG2 THR 45 -5.764 -8.789 -0.222
346 HG22 THR 45 2HG2 THR 45 -4.980 -7.213 -0.144
347 HG23 THR 45 3HG2 THR 45 -5.161 -8.179 1.320
348 H HIS 46 HN HIS 46 -3.620 -11.356 -1.701
349 HA HIS 46 HA HIS 46 -5.464 -11.260 -3.938
350 HB2 HIS 46 2HB HIS 46 -4.238 -13.600 -2.465
351 HB3 HIS 46 1HB HIS 46 -5.275 -13.732 -3.876
352 HD1 HIS 46 1HD HIS 46 -4.089 -13.758 -6.098
353 HD2 HIS 46 2HD HIS 46 -1.719 -12.234 -3.041
354 HE1 HIS 46 1HE HIS 46 -1.773 -13.462 -7.072
355 H CYS 47 HN CYS 47 -7.583 -11.849 -3.773
356 HA CYS 47 HA CYS 47 -8.659 -11.699 -1.091
357 HB2 CYS 47 2HB CYS 47 -10.162 -11.965 -3.690
358 HB3 CYS 47 1HB CYS 47 -10.773 -11.366 -2.151
Start of MODEL 16
1 H1 ARG 1 1HT ARG 1 -8.661 -10.548 -10.003
2 H2 ARG 1 2HT ARG 1 -9.936 -9.717 -10.728
3 H3 ARG 1 3HT ARG 1 -10.033 -10.212 -9.106
4 HA ARG 1 HA ARG 1 -8.041 -8.299 -10.137
5 HB2 ARG 1 2HB ARG 1 -9.276 -6.586 -8.884
6 HB3 ARG 1 1HB ARG 1 -10.289 -7.261 -10.143
7 HG2 ARG 1 2HG ARG 1 -11.496 -8.577 -8.510
8 HG3 ARG 1 1HG ARG 1 -10.396 -8.054 -7.234
9 HD2 ARG 1 2HD ARG 1 -11.106 -5.736 -7.598
10 HD3 ARG 1 1HD ARG 1 -12.227 -6.287 -8.839
11 HE ARG 1 HE ARG 1 -13.206 -7.661 -6.921
12 HH11 ARG 1 1HH1 ARG 1 -11.826 -4.415 -6.559
13 HH12 ARG 1 2HH1 ARG 1 -12.768 -3.992 -5.230
14 HH21 ARG 1 1HH2 ARG 1 -14.552 -7.068 -5.103
15 HH22 ARG 1 2HH2 ARG 1 -14.422 -5.543 -4.391
16 H THR 2 HN THR 2 -6.926 -7.236 -8.305
17 HA THR 2 HA THR 2 -6.616 -9.111 -6.126
18 HB THR 2 HB THR 2 -4.727 -7.547 -5.475
19 HG1 THR 2 1HG THR 2 -4.566 -6.467 -8.000
20 HG21 THR 2 1HG2 THR 2 -3.194 -8.311 -7.242
21 HG22 THR 2 2HG2 THR 2 -4.575 -8.748 -8.245
22 HG23 THR 2 3HG2 THR 2 -4.278 -9.606 -6.732
23 H CYS 3 HN CYS 3 -6.422 -7.989 -3.909
24 HA CYS 3 HA CYS 3 -8.353 -5.846 -3.765
25 HB2 CYS 3 2HB CYS 3 -8.186 -8.357 -2.074
26 HB3 CYS 3 1HB CYS 3 -9.041 -6.915 -1.538
27 H GLN 4 HN GLN 4 -7.968 -4.459 -1.883
28 HA GLN 4 HA GLN 4 -5.107 -4.556 -1.224
29 HB2 GLN 4 2HB GLN 4 -6.648 -2.023 -1.808
30 HB3 GLN 4 1HB GLN 4 -4.932 -2.218 -1.444
31 HG2 GLN 4 2HG GLN 4 -4.547 -3.359 -3.512
32 HG3 GLN 4 1HG GLN 4 -6.270 -3.353 -3.881
33 HE21 GLN 4 1HE2 GLN 4 -4.142 -2.290 -5.475
34 HE22 GLN 4 2HE2 GLN 4 -4.471 -0.604 -5.654
35 H SER 5 HN SER 5 -4.461 -3.663 0.709
36 HA SER 5 HA SER 5 -6.505 -2.968 2.686
37 HB2 SER 5 2HB SER 5 -5.865 -5.419 2.802
38 HB3 SER 5 1HB SER 5 -4.212 -4.911 3.115
39 HG SER 5 HG SER 5 -4.730 -4.276 5.072
40 H GLN 6 HN GLN 6 -5.800 -1.096 3.715
41 HA GLN 6 HA GLN 6 -3.275 -0.000 2.919
42 HB2 GLN 6 2HB GLN 6 -3.772 1.928 4.252
43 HB3 GLN 6 1HB GLN 6 -5.179 1.488 3.303
44 HG2 GLN 6 2HG GLN 6 -6.223 0.506 5.260
45 HG3 GLN 6 1HG GLN 6 -4.784 0.840 6.215
46 HE21 GLN 6 1HE2 GLN 6 -4.347 3.480 5.005
47 HE22 GLN 6 2HE2 GLN 6 -5.575 4.485 5.665
48 H SER 7 HN SER 7 -1.470 0.408 3.997
49 HA SER 7 HA SER 7 -1.012 -1.250 6.333
50 HB2 SER 7 2HB SER 7 0.566 -1.325 4.378
51 HB3 SER 7 1HB SER 7 0.971 0.360 4.701
52 HG SER 7 HG SER 7 1.828 -1.892 5.885
53 H HIS 8 HN HIS 8 -0.314 -0.394 8.253
54 HA HIS 8 HA HIS 8 -1.132 2.383 8.698
55 HB2 HIS 8 2HB HIS 8 -0.738 0.039 10.476
56 HB3 HIS 8 1HB HIS 8 -1.024 1.657 11.121
57 HD1 HIS 8 1HD HIS 8 -3.467 2.203 11.486
58 HD2 HIS 8 2HD HIS 8 -2.936 -0.831 8.703
59 HE1 HIS 8 1HE HIS 8 -5.790 1.474 10.808
60 H ARG 9 HN ARG 9 1.575 0.285 8.929
61 HA ARG 9 HA ARG 9 3.191 2.147 10.434
62 HB2 ARG 9 2HB ARG 9 5.021 0.509 9.999
63 HB3 ARG 9 1HB ARG 9 3.602 -0.188 10.773
64 HG2 ARG 9 2HG ARG 9 2.840 -1.004 8.600
65 HG3 ARG 9 1HG ARG 9 4.292 -0.334 7.866
66 HD2 ARG 9 2HD ARG 9 4.293 -2.369 10.062
67 HD3 ARG 9 1HD ARG 9 4.342 -2.773 8.354
68 HE ARG 9 HE ARG 9 6.425 -0.973 9.053
69 HH11 ARG 9 1HH1 ARG 9 5.403 -4.349 9.149
70 HH12 ARG 9 2HH1 ARG 9 6.976 -4.990 9.329
71 HH21 ARG 9 1HH2 ARG 9 8.589 -1.820 9.218
72 HH22 ARG 9 2HH2 ARG 9 8.856 -3.499 9.375
73 H PHE 10 HN PHE 10 2.118 2.247 7.417
74 HA PHE 10 HA PHE 10 4.558 3.087 6.140
75 HB2 PHE 10 2HB PHE 10 2.834 1.923 4.783
76 HB3 PHE 10 1HB PHE 10 1.703 3.231 5.119
77 HD1 PHE 10 1HD PHE 10 4.838 2.355 3.400
78 HD2 PHE 10 2HD PHE 10 1.814 5.300 3.928
79 HE1 PHE 10 1HE PHE 10 5.740 3.611 1.508
80 HE2 PHE 10 2HE PHE 10 2.707 6.557 2.027
81 HZ PHE 10 HZ PHE 10 4.674 5.716 0.806
82 H ARG 11 HN ARG 11 5.140 5.115 5.784
83 HA ARG 11 HA ARG 11 3.403 7.252 6.569
84 HB2 ARG 11 2HB ARG 11 5.425 8.278 7.781
85 HB3 ARG 11 1HB ARG 11 4.488 7.045 8.612
86 HG2 ARG 11 2HG ARG 11 6.175 5.377 7.975
87 HG3 ARG 11 1HG ARG 11 7.120 6.648 7.207
88 HD2 ARG 11 2HD ARG 11 7.382 7.791 9.305
89 HD3 ARG 11 1HD ARG 11 6.301 6.647 10.097
90 HE ARG 11 HE ARG 11 8.190 5.012 9.198
91 HH11 ARG 11 1HH1 ARG 11 8.596 8.119 10.846
92 HH12 ARG 11 2HH1 ARG 11 9.983 7.645 11.694
93 HH21 ARG 11 1HH2 ARG 11 10.079 4.356 10.370
94 HH22 ARG 11 2HH2 ARG 11 10.844 5.458 11.428
95 H GLY 12 HN GLY 12 3.634 9.014 5.344
96 HA2 GLY 12 2HA GLY 12 4.908 10.429 3.896
97 HA3 GLY 12 1HA GLY 12 5.805 9.003 3.369
98 HA PRO 13 HA PRO 13 2.275 9.421 0.473
99 HB2 PRO 13 2HB PRO 13 3.560 10.119 -1.770
100 HB3 PRO 13 1HB PRO 13 3.133 11.314 -0.541
101 HG2 PRO 13 2HG PRO 13 5.780 10.136 -1.184
102 HG3 PRO 13 1HG PRO 13 5.391 11.731 -0.524
103 HD2 PRO 13 2HD PRO 13 6.258 9.439 0.937
104 HD3 PRO 13 1HD PRO 13 5.679 10.979 1.596
105 H CYS 14 HN CYS 14 1.562 7.682 -0.690
106 HA CYS 14 HA CYS 14 3.120 5.339 -0.988
107 HB2 CYS 14 2HB CYS 14 1.168 4.474 -2.240
108 HB3 CYS 14 1HB CYS 14 0.715 5.226 -0.711
109 H LEU 15 HN LEU 15 3.175 8.119 -2.755
110 HA LEU 15 HA LEU 15 3.562 7.246 -5.414
111 HB2 LEU 15 2HB LEU 15 4.677 9.673 -4.001
112 HB3 LEU 15 1HB LEU 15 4.621 9.445 -5.738
113 HG LEU 15 HG LEU 15 2.208 9.698 -3.939
114 HD11 LEU 15 1HD1 LEU 15 3.426 11.656 -5.866
115 HD12 LEU 15 2HD1 LEU 15 3.422 11.787 -4.106
116 HD13 LEU 15 3HD1 LEU 15 1.905 11.871 -5.001
117 HD21 LEU 15 1HD2 LEU 15 1.744 8.316 -5.896
118 HD22 LEU 15 2HD2 LEU 15 2.428 9.553 -6.948
119 HD23 LEU 15 3HD2 LEU 15 0.952 9.884 -6.045
120 H ARG 16 HN ARG 16 5.494 7.219 -2.572
121 HA ARG 16 HA ARG 16 7.874 6.405 -3.973
122 HB2 ARG 16 2HB ARG 16 7.112 6.324 -1.039
123 HB3 ARG 16 1HB ARG 16 8.667 5.801 -1.658
124 HG2 ARG 16 2HG ARG 16 7.600 8.601 -1.953
125 HG3 ARG 16 1HG ARG 16 8.627 8.074 -0.623
126 HD2 ARG 16 2HD ARG 16 9.973 9.165 -2.293
127 HD3 ARG 16 1HD ARG 16 10.378 7.451 -2.255
128 HE ARG 16 HE ARG 16 8.429 8.288 -4.220
129 HH11 ARG 16 1HH1 ARG 16 11.854 7.669 -3.608
130 HH12 ARG 16 2HH1 ARG 16 12.258 7.363 -5.234
131 HH21 ARG 16 1HH2 ARG 16 8.971 7.834 -6.474
132 HH22 ARG 16 2HH2 ARG 16 10.554 7.407 -6.907
133 H ARG 17 HN ARG 17 6.722 4.897 -5.198
134 HA ARG 17 HA ARG 17 5.112 2.875 -4.190
135 HB2 ARG 17 2HB ARG 17 5.355 1.782 -6.395
136 HB3 ARG 17 1HB ARG 17 4.929 3.482 -6.476
137 HG2 ARG 17 2HG ARG 17 7.256 4.026 -7.010
138 HG3 ARG 17 1HG ARG 17 7.647 2.304 -6.972
139 HD2 ARG 17 2HD ARG 17 5.652 3.624 -8.805
140 HD3 ARG 17 1HD ARG 17 7.267 3.092 -9.253
141 HE ARG 17 HE ARG 17 6.267 0.835 -8.341
142 HH11 ARG 17 1HH1 ARG 17 4.616 3.202 -10.396
143 HH12 ARG 17 2HH1 ARG 17 3.812 2.015 -11.327
144 HH21 ARG 17 1HH2 ARG 17 5.163 -0.756 -9.610
145 HH22 ARG 17 2HH2 ARG 17 4.124 -0.267 -10.880
146 H SER 18 HN SER 18 8.568 2.899 -4.649
147 HA SER 18 HA SER 18 8.840 0.141 -4.155
148 HB2 SER 18 2HB SER 18 10.864 2.369 -3.866
149 HB3 SER 18 1HB SER 18 11.229 0.642 -3.853
150 HG SER 18 HG SER 18 11.165 0.632 -5.878
151 H ASN 19 HN ASN 19 8.899 3.011 -2.027
152 HA ASN 19 HA ASN 19 9.523 1.519 0.323
153 HB2 ASN 19 2HB ASN 19 8.052 4.164 0.114
154 HB3 ASN 19 1HB ASN 19 8.557 3.427 1.624
155 HD21 ASN 19 1HD2 ASN 19 9.258 5.957 0.765
156 HD22 ASN 19 2HD2 ASN 19 10.969 6.007 0.525
157 H CYS 20 HN CYS 20 6.563 2.504 -1.219
158 HA CYS 20 HA CYS 20 4.706 1.572 0.643
159 HB2 CYS 20 2HB CYS 20 4.208 3.010 -1.349
160 HB3 CYS 20 1HB CYS 20 4.489 1.628 -2.388
161 H ALA 21 HN ALA 21 6.178 -0.092 -2.163
162 HA ALA 21 HA ALA 21 4.990 -2.588 -1.720
163 HB1 ALA 21 1HB ALA 21 6.052 -1.948 -3.840
164 HB2 ALA 21 2HB ALA 21 6.697 -3.469 -3.220
165 HB3 ALA 21 3HB ALA 21 7.629 -1.981 -3.053
166 H ASN 22 HN ASN 22 8.002 -1.187 -0.542
167 HA ASN 22 HA ASN 22 9.027 -3.516 0.674
168 HB2 ASN 22 2HB ASN 22 9.588 -0.610 1.261
169 HB3 ASN 22 1HB ASN 22 10.406 -1.918 2.096
170 HD21 ASN 22 1HD2 ASN 22 11.549 0.114 0.461
171 HD22 ASN 22 2HD2 ASN 22 12.353 -0.686 -0.836
172 H VAL 23 HN VAL 23 7.040 -0.914 2.032
173 HA VAL 23 HA VAL 23 7.003 -2.008 4.634
174 HB VAL 23 HB VAL 23 4.988 -0.141 3.310
175 HG11 VAL 23 1HG1 VAL 23 3.937 -1.281 5.216
176 HG12 VAL 23 2HG1 VAL 23 4.251 0.396 5.633
177 HG13 VAL 23 3HG1 VAL 23 5.315 -0.876 6.222
178 HG21 VAL 23 1HG2 VAL 23 7.306 0.364 5.165
179 HG22 VAL 23 2HG2 VAL 23 6.128 1.577 4.707
180 HG23 VAL 23 3HG2 VAL 23 7.182 0.865 3.476
181 H CYS 24 HN CYS 24 4.791 -2.314 1.898
182 HA CYS 24 HA CYS 24 3.032 -4.049 3.177
183 HB2 CYS 24 2HB CYS 24 3.657 -3.676 0.256
184 HB3 CYS 24 1HB CYS 24 2.325 -4.666 0.847
185 H ARG 25 HN ARG 25 6.013 -4.691 1.395
186 HA ARG 25 HA ARG 25 5.861 -7.466 1.378
187 HB2 ARG 25 2HB ARG 25 7.547 -6.309 0.070
188 HB3 ARG 25 1HB ARG 25 8.280 -5.653 1.521
189 HG2 ARG 25 2HG ARG 25 9.588 -7.495 0.549
190 HG3 ARG 25 1HG ARG 25 9.037 -7.853 2.183
191 HD2 ARG 25 2HD ARG 25 8.770 -9.804 0.757
192 HD3 ARG 25 1HD ARG 25 7.204 -9.182 1.264
193 HE ARG 25 HE ARG 25 8.074 -8.192 -1.276
194 HH11 ARG 25 1HH1 ARG 25 6.302 -10.793 0.369
195 HH12 ARG 25 2HH1 ARG 25 5.502 -11.331 -1.033
196 HH21 ARG 25 1HH2 ARG 25 7.007 -8.917 -3.173
197 HH22 ARG 25 2HH2 ARG 25 5.933 -10.245 -3.140
198 H THR 26 HN THR 26 7.245 -5.291 3.847
199 HA THR 26 HA THR 26 7.869 -7.414 5.572
200 HB THR 26 HB THR 26 7.915 -5.582 7.392
201 HG1 THR 26 1HG THR 26 6.587 -4.161 5.705
202 HG21 THR 26 1HG2 THR 26 10.022 -4.658 6.530
203 HG22 THR 26 2HG2 THR 26 9.636 -5.290 4.929
204 HG23 THR 26 3HG2 THR 26 9.921 -6.399 6.270
205 H GLU 27 HN GLU 27 4.893 -5.742 5.000
206 HA GLU 27 HA GLU 27 3.597 -6.823 7.312
207 HB2 GLU 27 2HB GLU 27 2.514 -5.470 4.855
208 HB3 GLU 27 1HB GLU 27 1.496 -6.034 6.176
209 HG2 GLU 27 2HG GLU 27 3.685 -3.985 6.359
210 HG3 GLU 27 1HG GLU 27 1.947 -3.676 6.387
211 H GLY 28 HN GLY 28 4.497 -8.152 4.370
212 HA2 GLY 28 2HA GLY 28 4.299 -10.525 4.101
213 HA3 GLY 28 1HA GLY 28 2.779 -10.452 4.964
214 H PHE 29 HN PHE 29 3.172 -7.985 2.645
215 HA PHE 29 HA PHE 29 1.357 -9.432 0.864
216 HB2 PHE 29 2HB PHE 29 1.583 -6.476 1.441
217 HB3 PHE 29 1HB PHE 29 0.522 -7.164 0.211
218 HD1 PHE 29 1HD PHE 29 -1.137 -8.948 1.039
219 HD2 PHE 29 2HD PHE 29 0.794 -6.157 3.588
220 HE1 PHE 29 1HE PHE 29 -2.880 -9.290 2.705
221 HE2 PHE 29 2HE PHE 29 -0.951 -6.486 5.283
222 HZ PHE 29 HZ PHE 29 -2.802 -8.058 4.852
223 HA PRO 30 HA PRO 30 4.294 -9.254 -2.431
224 HB2 PRO 30 2HB PRO 30 2.635 -8.660 -4.556
225 HB3 PRO 30 1HB PRO 30 2.855 -10.272 -3.869
226 HG2 PRO 30 2HG PRO 30 0.697 -8.270 -3.345
227 HG3 PRO 30 1HG PRO 30 0.562 -10.023 -3.577
228 HD2 PRO 30 2HD PRO 30 0.445 -8.967 -1.137
229 HD3 PRO 30 1HD PRO 30 1.317 -10.485 -1.418
230 H GLY 31 HN GLY 31 2.097 -6.459 -2.213
231 HA2 GLY 31 2HA GLY 31 4.203 -4.619 -2.561
232 HA3 GLY 31 1HA GLY 31 3.324 -4.804 -4.075
233 H GLY 32 HN GLY 32 2.979 -2.409 -3.496
234 HA2 GLY 32 2HA GLY 32 0.383 -2.233 -2.226
235 HA3 GLY 32 1HA GLY 32 1.680 -1.228 -1.575
236 H ARG 33 HN ARG 33 -0.805 -0.475 -2.914
237 HA ARG 33 HA ARG 33 0.341 1.088 -5.140
238 HB2 ARG 33 2HB ARG 33 -2.470 -0.050 -5.081
239 HB3 ARG 33 1HB ARG 33 -1.741 0.870 -6.382
240 HG2 ARG 33 2HG ARG 33 -0.971 -1.911 -5.506
241 HG3 ARG 33 1HG ARG 33 -1.878 -1.481 -6.953
242 HD2 ARG 33 2HD ARG 33 0.064 -0.278 -7.818
243 HD3 ARG 33 1HD ARG 33 0.939 -0.653 -6.331
244 HE ARG 33 HE ARG 33 -0.059 -2.944 -7.697
245 HH11 ARG 33 1HH1 ARG 33 2.669 -0.700 -7.449
246 HH12 ARG 33 2HH1 ARG 33 3.811 -1.799 -8.074
247 HH21 ARG 33 1HH2 ARG 33 1.530 -4.458 -8.594
248 HH22 ARG 33 2HH2 ARG 33 3.142 -3.965 -8.778
249 H CYS 34 HN CYS 34 -1.218 2.967 -5.622
250 HA CYS 34 HA CYS 34 -1.916 4.214 -3.104
251 HB2 CYS 34 2HB CYS 34 -1.772 5.276 -5.924
252 HB3 CYS 34 1HB CYS 34 -2.307 6.225 -4.550
253 H ARG 35 HN ARG 35 -3.893 4.292 -2.377
254 HA ARG 35 HA ARG 35 -6.111 4.265 -4.301
255 HB2 ARG 35 2HB ARG 35 -6.127 2.031 -3.322
256 HB3 ARG 35 1HB ARG 35 -6.058 2.709 -1.698
257 HG2 ARG 35 2HG ARG 35 -8.265 3.782 -2.107
258 HG3 ARG 35 1HG ARG 35 -8.338 2.955 -3.655
259 HD2 ARG 35 2HD ARG 35 -8.113 1.588 -0.983
260 HD3 ARG 35 1HD ARG 35 -9.623 1.853 -1.848
261 HE ARG 35 HE ARG 35 -7.679 0.457 -3.412
262 HH11 ARG 35 1HH1 ARG 35 -10.035 0.016 -0.830
263 HH12 ARG 35 2HH1 ARG 35 -10.381 -1.613 -1.244
264 HH21 ARG 35 1HH2 ARG 35 -8.217 -1.748 -4.011
265 HH22 ARG 35 2HH2 ARG 35 -9.376 -2.600 -3.101
266 H GLY 36 HN GLY 36 -5.314 4.810 -0.901
267 HA2 GLY 36 2HA GLY 36 -7.482 6.533 -0.374
268 HA3 GLY 36 1HA GLY 36 -6.018 6.417 0.590
269 H PHE 37 HN PHE 37 -7.742 8.662 -0.495
270 HA PHE 37 HA PHE 37 -6.435 10.151 -2.446
271 HB2 PHE 37 2HB PHE 37 -8.726 10.616 -1.769
272 HB3 PHE 37 1HB PHE 37 -8.183 11.096 -0.165
273 HD1 PHE 37 1HD PHE 37 -7.613 13.330 0.274
274 HD2 PHE 37 2HD PHE 37 -7.949 12.002 -3.762
275 HE1 PHE 37 1HE PHE 37 -7.368 15.645 -0.508
276 HE2 PHE 37 2HE PHE 37 -7.708 14.316 -4.543
277 HZ PHE 37 HZ PHE 37 -7.415 16.142 -2.919
278 H ARG 38 HN ARG 38 -5.806 9.907 0.971
279 HA ARG 38 HA ARG 38 -3.954 12.151 0.983
280 HB2 ARG 38 2HB ARG 38 -4.582 10.093 3.114
281 HB3 ARG 38 1HB ARG 38 -3.583 11.519 3.349
282 HG2 ARG 38 2HG ARG 38 -6.511 11.525 2.633
283 HG3 ARG 38 1HG ARG 38 -5.838 11.844 4.231
284 HD2 ARG 38 2HD ARG 38 -4.704 13.808 3.398
285 HD3 ARG 38 1HD ARG 38 -5.255 13.480 1.755
286 HE ARG 38 HE ARG 38 -7.433 13.652 3.533
287 HH11 ARG 38 1HH1 ARG 38 -5.102 15.777 1.909
288 HH12 ARG 38 2HH1 ARG 38 -6.181 17.097 1.822
289 HH21 ARG 38 1HH2 ARG 38 -8.863 15.411 3.395
290 HH22 ARG 38 2HH2 ARG 38 -8.390 16.881 2.676
291 H ARG 39 HN ARG 39 -3.497 9.978 -0.785
292 HA ARG 39 HA ARG 39 -1.981 8.536 -1.589
293 HB2 ARG 39 2HB ARG 39 -0.109 10.467 -0.214
294 HB3 ARG 39 1HB ARG 39 0.417 9.229 -1.345
295 HG2 ARG 39 2HG ARG 39 -1.418 11.543 -1.945
296 HG3 ARG 39 1HG ARG 39 0.257 11.354 -2.473
297 HD2 ARG 39 2HD ARG 39 -0.404 9.321 -3.721
298 HD3 ARG 39 1HD ARG 39 -2.073 9.597 -3.227
299 HE ARG 39 HE ARG 39 -1.070 11.883 -4.476
300 HH11 ARG 39 1HH1 ARG 39 -2.270 8.626 -5.209
301 HH12 ARG 39 2HH1 ARG 39 -2.606 8.970 -6.843
302 HH21 ARG 39 1HH2 ARG 39 -1.618 12.355 -6.688
303 HH22 ARG 39 2HH2 ARG 39 -2.231 11.131 -7.696
304 H ARG 40 HN ARG 40 -3.112 7.287 0.079
305 HA ARG 40 HA ARG 40 -1.381 6.309 2.196
306 HB2 ARG 40 2HB ARG 40 -4.201 5.609 1.437
307 HB3 ARG 40 1HB ARG 40 -3.369 5.005 2.858
308 HG2 ARG 40 2HG ARG 40 -4.000 7.909 2.322
309 HG3 ARG 40 1HG ARG 40 -4.961 6.839 3.335
310 HD2 ARG 40 2HD ARG 40 -3.595 8.101 4.815
311 HD3 ARG 40 1HD ARG 40 -2.902 6.490 4.720
312 HE ARG 40 HE ARG 40 -1.702 8.402 2.933
313 HH11 ARG 40 1HH1 ARG 40 -1.586 6.953 6.190
314 HH12 ARG 40 2HH1 ARG 40 -0.011 7.484 6.515
315 HH21 ARG 40 1HH2 ARG 40 0.539 9.102 3.408
316 HH22 ARG 40 2HH2 ARG 40 1.178 8.703 4.920
317 H CYS 41 HN CYS 41 -0.463 4.346 2.199
318 HA CYS 41 HA CYS 41 -0.185 3.015 -0.336
319 HB2 CYS 41 2HB CYS 41 1.792 3.437 1.050
320 HB3 CYS 41 1HB CYS 41 1.093 2.493 2.355
321 H PHE 42 HN PHE 42 -1.619 1.633 -0.914
322 HA PHE 42 HA PHE 42 -2.904 -0.037 1.080
323 HB2 PHE 42 2HB PHE 42 -3.707 1.001 -1.553
324 HB3 PHE 42 1HB PHE 42 -4.397 -0.519 -1.031
325 HD1 PHE 42 1HD PHE 42 -6.257 -0.553 0.305
326 HD2 PHE 42 2HD PHE 42 -3.947 3.006 0.101
327 HE1 PHE 42 1HE PHE 42 -7.956 0.606 1.624
328 HE2 PHE 42 2HE PHE 42 -5.678 4.190 1.433
329 HZ PHE 42 HZ PHE 42 -7.670 2.985 2.192
330 H CYS 43 HN CYS 43 -2.004 -1.761 1.340
331 HA CYS 43 HA CYS 43 -0.152 -2.989 -0.386
332 HB2 CYS 43 2HB CYS 43 -1.565 -4.043 2.059
333 HB3 CYS 43 1HB CYS 43 -0.191 -4.812 1.268
334 H THR 44 HN THR 44 -0.481 -4.297 -1.931
335 HA THR 44 HA THR 44 -3.131 -5.059 -2.702
336 HB THR 44 HB THR 44 -0.419 -5.585 -3.911
337 HG1 THR 44 1HG THR 44 -1.783 -3.376 -3.646
338 HG21 THR 44 1HG2 THR 44 -3.193 -5.790 -5.114
339 HG22 THR 44 2HG2 THR 44 -2.170 -7.151 -4.673
340 HG23 THR 44 3HG2 THR 44 -1.673 -6.069 -5.970
341 H THR 45 HN THR 45 -3.973 -7.034 -2.288
342 HA THR 45 HA THR 45 -2.096 -9.144 -1.699
343 HB THR 45 HB THR 45 -3.114 -8.409 0.425
344 HG1 THR 45 1HG THR 45 -4.321 -10.644 0.664
345 HG21 THR 45 1HG2 THR 45 -5.282 -7.589 -0.387
346 HG22 THR 45 2HG2 THR 45 -5.513 -8.802 0.874
347 HG23 THR 45 3HG2 THR 45 -5.747 -9.234 -0.820
348 H HIS 46 HN HIS 46 -2.789 -11.127 -2.269
349 HA HIS 46 HA HIS 46 -4.288 -11.214 -4.693
350 HB2 HIS 46 2HB HIS 46 -3.217 -13.490 -2.985
351 HB3 HIS 46 1HB HIS 46 -3.830 -13.653 -4.629
352 HD1 HIS 46 1HD HIS 46 -0.776 -12.785 -2.731
353 HD2 HIS 46 2HD HIS 46 -2.193 -12.403 -6.612
354 HE1 HIS 46 1HE HIS 46 1.227 -12.202 -4.146
355 H CYS 47 HN CYS 47 -6.366 -11.271 -4.792
356 HA CYS 47 HA CYS 47 -7.848 -11.433 -2.334
357 HB2 CYS 47 2HB CYS 47 -8.091 -9.649 -4.178
358 HB3 CYS 47 1HB CYS 47 -8.973 -10.883 -5.066
Start of MODEL 17
1 H1 ARG 1 1HT ARG 1 -9.742 -12.429 -6.368
2 H2 ARG 1 2HT ARG 1 -8.716 -12.324 -7.671
3 H3 ARG 1 3HT ARG 1 -10.388 -12.390 -7.931
4 HA ARG 1 HA ARG 1 -9.552 -10.133 -8.196
5 HB2 ARG 1 2HB ARG 1 -11.161 -10.619 -5.699
6 HB3 ARG 1 1HB ARG 1 -10.828 -9.020 -6.327
7 HG2 ARG 1 2HG ARG 1 -12.024 -9.594 -8.382
8 HG3 ARG 1 1HG ARG 1 -12.372 -11.192 -7.717
9 HD2 ARG 1 2HD ARG 1 -14.223 -9.544 -7.463
10 HD3 ARG 1 1HD ARG 1 -13.677 -10.249 -5.938
11 HE ARG 1 HE ARG 1 -12.330 -8.135 -5.721
12 HH11 ARG 1 1HH1 ARG 1 -15.486 -8.191 -7.356
13 HH12 ARG 1 2HH1 ARG 1 -15.803 -6.550 -7.115
14 HH21 ARG 1 1HH2 ARG 1 -12.768 -5.866 -5.352
15 HH22 ARG 1 2HH2 ARG 1 -14.185 -5.167 -5.976
16 H THR 2 HN THR 2 -8.543 -8.321 -7.245
17 HA THR 2 HA THR 2 -6.698 -9.079 -5.169
18 HB THR 2 HB THR 2 -5.620 -8.033 -7.058
19 HG1 THR 2 1HG THR 2 -4.875 -7.530 -4.915
20 HG21 THR 2 1HG2 THR 2 -6.047 -5.682 -7.699
21 HG22 THR 2 2HG2 THR 2 -7.389 -5.632 -6.555
22 HG23 THR 2 3HG2 THR 2 -7.466 -6.697 -7.957
23 H CYS 3 HN CYS 3 -6.382 -7.668 -3.529
24 HA CYS 3 HA CYS 3 -8.721 -6.143 -2.669
25 HB2 CYS 3 2HB CYS 3 -7.242 -8.239 -1.039
26 HB3 CYS 3 1HB CYS 3 -8.560 -7.236 -0.442
27 H GLN 4 HN GLN 4 -8.119 -4.305 -1.615
28 HA GLN 4 HA GLN 4 -5.243 -3.960 -1.286
29 HB2 GLN 4 2HB GLN 4 -7.339 -2.046 -2.275
30 HB3 GLN 4 1HB GLN 4 -5.750 -1.495 -1.774
31 HG2 GLN 4 2HG GLN 4 -4.686 -2.775 -3.443
32 HG3 GLN 4 1HG GLN 4 -6.184 -3.607 -3.870
33 HE21 GLN 4 1HE2 GLN 4 -4.396 -2.144 -5.573
34 HE22 GLN 4 2HE2 GLN 4 -5.323 -0.878 -6.289
35 H SER 5 HN SER 5 -4.612 -3.692 0.647
36 HA SER 5 HA SER 5 -6.513 -2.710 2.676
37 HB2 SER 5 2HB SER 5 -5.929 -5.121 2.930
38 HB3 SER 5 1HB SER 5 -4.224 -4.691 2.992
39 HG SER 5 HG SER 5 -4.610 -3.583 4.898
40 H GLN 6 HN GLN 6 -5.856 -0.906 3.741
41 HA GLN 6 HA GLN 6 -3.686 0.626 2.900
42 HB2 GLN 6 2HB GLN 6 -5.587 1.598 4.098
43 HB3 GLN 6 1HB GLN 6 -5.134 0.717 5.551
44 HG2 GLN 6 2HG GLN 6 -2.955 1.970 5.513
45 HG3 GLN 6 1HG GLN 6 -3.628 2.961 4.228
46 HE21 GLN 6 1HE2 GLN 6 -3.433 4.820 5.536
47 HE22 GLN 6 2HE2 GLN 6 -4.528 5.107 6.837
48 H SER 7 HN SER 7 -1.596 0.655 3.401
49 HA SER 7 HA SER 7 -0.464 -1.272 5.144
50 HB2 SER 7 2HB SER 7 0.846 1.170 3.962
51 HB3 SER 7 1HB SER 7 1.591 -0.389 4.343
52 HG SER 7 HG SER 7 0.864 -1.188 2.489
53 H HIS 8 HN HIS 8 -1.140 -0.891 7.183
54 HA HIS 8 HA HIS 8 -1.681 1.605 8.328
55 HB2 HIS 8 2HB HIS 8 -1.110 -1.025 9.673
56 HB3 HIS 8 1HB HIS 8 -1.788 0.388 10.478
57 HD1 HIS 8 1HD HIS 8 -2.802 -2.644 8.725
58 HD2 HIS 8 2HD HIS 8 -4.366 1.172 9.274
59 HE1 HIS 8 1HE HIS 8 -5.244 -2.812 8.176
60 H ARG 9 HN ARG 9 1.171 -0.386 8.433
61 HA ARG 9 HA ARG 9 2.490 1.374 10.326
62 HB2 ARG 9 2HB ARG 9 4.423 -0.116 10.097
63 HB3 ARG 9 1HB ARG 9 2.946 -1.013 10.426
64 HG2 ARG 9 2HG ARG 9 2.758 -1.525 8.036
65 HG3 ARG 9 1HG ARG 9 4.272 -0.670 7.764
66 HD2 ARG 9 2HD ARG 9 3.946 -3.047 9.566
67 HD3 ARG 9 1HD ARG 9 4.472 -3.137 7.900
68 HE ARG 9 HE ARG 9 6.113 -1.375 9.427
69 HH11 ARG 9 1HH1 ARG 9 5.443 -4.803 8.773
70 HH12 ARG 9 2HH1 ARG 9 7.005 -5.344 9.125
71 HH21 ARG 9 1HH2 ARG 9 8.293 -2.076 9.908
72 HH22 ARG 9 2HH2 ARG 9 8.710 -3.729 9.779
73 H PHE 10 HN PHE 10 1.805 1.919 7.246
74 HA PHE 10 HA PHE 10 4.426 2.788 6.348
75 HB2 PHE 10 2HB PHE 10 2.785 1.840 4.729
76 HB3 PHE 10 1HB PHE 10 1.703 3.185 5.064
77 HD1 PHE 10 1HD PHE 10 4.888 2.199 3.550
78 HD2 PHE 10 2HD PHE 10 2.080 5.342 4.069
79 HE1 PHE 10 1HE PHE 10 6.014 3.478 1.822
80 HE2 PHE 10 2HE PHE 10 3.205 6.637 2.330
81 HZ PHE 10 HZ PHE 10 5.182 5.717 1.192
82 H ARG 11 HN ARG 11 5.062 4.908 6.175
83 HA ARG 11 HA ARG 11 3.272 6.905 7.290
84 HB2 ARG 11 2HB ARG 11 5.184 7.908 8.512
85 HB3 ARG 11 1HB ARG 11 4.690 6.339 9.123
86 HG2 ARG 11 2HG ARG 11 6.565 5.301 7.939
87 HG3 ARG 11 1HG ARG 11 7.071 6.897 7.373
88 HD2 ARG 11 2HD ARG 11 7.359 7.635 9.652
89 HD3 ARG 11 1HD ARG 11 6.768 6.088 10.242
90 HE ARG 11 HE ARG 11 9.040 5.829 8.529
91 HH11 ARG 11 1HH1 ARG 11 8.045 6.469 11.859
92 HH12 ARG 11 2HH1 ARG 11 9.496 5.936 12.547
93 HH21 ARG 11 1HH2 ARG 11 11.020 5.086 9.457
94 HH22 ARG 11 2HH2 ARG 11 11.234 5.100 11.155
95 H GLY 12 HN GLY 12 3.399 8.883 6.392
96 HA2 GLY 12 2HA GLY 12 4.329 10.571 5.047
97 HA3 GLY 12 1HA GLY 12 5.462 9.388 4.394
98 HA PRO 13 HA PRO 13 1.832 9.686 1.495
99 HB2 PRO 13 2HB PRO 13 3.058 10.814 -0.623
100 HB3 PRO 13 1HB PRO 13 2.336 11.792 0.656
101 HG2 PRO 13 2HG PRO 13 5.203 11.082 0.206
102 HG3 PRO 13 1HG PRO 13 4.504 12.626 0.726
103 HD2 PRO 13 2HD PRO 13 5.651 10.815 2.436
104 HD3 PRO 13 1HD PRO 13 4.393 11.966 2.922
105 H CYS 14 HN CYS 14 1.526 8.149 -0.190
106 HA CYS 14 HA CYS 14 3.500 6.083 -0.262
107 HB2 CYS 14 2HB CYS 14 1.927 4.823 -1.584
108 HB3 CYS 14 1HB CYS 14 1.062 5.619 -0.275
109 H LEU 15 HN LEU 15 3.742 8.858 -1.687
110 HA LEU 15 HA LEU 15 4.121 8.484 -4.443
111 HB2 LEU 15 2HB LEU 15 5.603 10.330 -2.573
112 HB3 LEU 15 1HB LEU 15 5.631 10.437 -4.319
113 HG LEU 15 HG LEU 15 3.210 10.863 -2.573
114 HD11 LEU 15 1HD1 LEU 15 4.935 12.800 -4.100
115 HD12 LEU 15 2HD1 LEU 15 4.808 12.662 -2.343
116 HD13 LEU 15 3HD1 LEU 15 3.422 13.199 -3.290
117 HD21 LEU 15 1HD2 LEU 15 2.132 11.640 -4.629
118 HD22 LEU 15 2HD2 LEU 15 2.600 9.946 -4.748
119 HD23 LEU 15 3HD2 LEU 15 3.565 11.188 -5.548
120 H ARG 16 HN ARG 16 6.053 7.705 -1.704
121 HA ARG 16 HA ARG 16 8.263 6.830 -3.345
122 HB2 ARG 16 2HB ARG 16 7.764 6.288 -0.407
123 HB3 ARG 16 1HB ARG 16 9.275 6.071 -1.272
124 HG2 ARG 16 2HG ARG 16 7.913 8.685 -0.681
125 HG3 ARG 16 1HG ARG 16 9.349 8.045 0.118
126 HD2 ARG 16 2HD ARG 16 10.563 8.142 -2.002
127 HD3 ARG 16 1HD ARG 16 9.120 8.777 -2.799
128 HE ARG 16 HE ARG 16 9.972 10.252 -0.508
129 HH11 ARG 16 1HH1 ARG 16 10.337 9.925 -4.018
130 HH12 ARG 16 2HH1 ARG 16 10.858 11.522 -4.260
131 HH21 ARG 16 1HH2 ARG 16 10.624 12.472 -0.839
132 HH22 ARG 16 2HH2 ARG 16 11.036 13.001 -2.412
133 H ARG 17 HN ARG 17 7.160 5.375 -4.652
134 HA ARG 17 HA ARG 17 5.457 3.341 -3.663
135 HB2 ARG 17 2HB ARG 17 6.925 3.515 -6.294
136 HB3 ARG 17 1HB ARG 17 5.914 2.148 -5.883
137 HG2 ARG 17 2HG ARG 17 4.666 3.617 -7.304
138 HG3 ARG 17 1HG ARG 17 3.979 3.708 -5.689
139 HD2 ARG 17 2HD ARG 17 5.101 5.812 -5.299
140 HD3 ARG 17 1HD ARG 17 5.931 5.688 -6.846
141 HE ARG 17 HE ARG 17 3.138 5.559 -7.184
142 HH11 ARG 17 1HH1 ARG 17 5.684 7.911 -6.500
143 HH12 ARG 17 2HH1 ARG 17 4.871 9.209 -7.254
144 HH21 ARG 17 1HH2 ARG 17 2.052 7.298 -8.202
145 HH22 ARG 17 2HH2 ARG 17 2.745 8.854 -8.249
146 H SER 18 HN SER 18 8.851 3.598 -4.007
147 HA SER 18 HA SER 18 9.586 0.918 -3.785
148 HB2 SER 18 2HB SER 18 11.131 2.790 -4.383
149 HB3 SER 18 1HB SER 18 11.041 3.360 -2.720
150 HG SER 18 HG SER 18 12.049 0.883 -3.640
151 H ASN 19 HN ASN 19 8.877 3.392 -1.307
152 HA ASN 19 HA ASN 19 9.431 1.608 0.869
153 HB2 ASN 19 2HB ASN 19 7.880 4.216 0.912
154 HB3 ASN 19 1HB ASN 19 8.318 3.295 2.339
155 HD21 ASN 19 1HD2 ASN 19 8.961 5.970 1.946
156 HD22 ASN 19 2HD2 ASN 19 10.672 6.097 1.839
157 H CYS 20 HN CYS 20 6.597 2.696 -0.825
158 HA CYS 20 HA CYS 20 4.587 1.582 0.754
159 HB2 CYS 20 2HB CYS 20 4.252 3.196 -1.120
160 HB3 CYS 20 1HB CYS 20 4.669 1.931 -2.258
161 H ALA 21 HN ALA 21 6.226 0.182 -2.105
162 HA ALA 21 HA ALA 21 4.994 -2.341 -1.912
163 HB1 ALA 21 1HB ALA 21 5.988 -1.490 -3.981
164 HB2 ALA 21 2HB ALA 21 6.669 -3.054 -3.526
165 HB3 ALA 21 3HB ALA 21 7.589 -1.575 -3.243
166 H ASN 22 HN ASN 22 8.053 -1.045 -0.663
167 HA ASN 22 HA ASN 22 9.126 -3.456 0.290
168 HB2 ASN 22 2HB ASN 22 10.457 -1.396 0.161
169 HB3 ASN 22 1HB ASN 22 9.473 -0.679 1.432
170 HD21 ASN 22 1HD2 ASN 22 11.096 -0.400 2.845
171 HD22 ASN 22 2HD2 ASN 22 11.915 -1.674 3.655
172 H VAL 23 HN VAL 23 7.133 -1.034 1.974
173 HA VAL 23 HA VAL 23 6.966 -2.356 4.419
174 HB VAL 23 HB VAL 23 5.012 -0.432 3.103
175 HG11 VAL 23 1HG1 VAL 23 3.756 -1.819 4.690
176 HG12 VAL 23 2HG1 VAL 23 3.953 -0.185 5.325
177 HG13 VAL 23 3HG1 VAL 23 4.962 -1.498 5.932
178 HG21 VAL 23 1HG2 VAL 23 5.913 1.111 4.838
179 HG22 VAL 23 2HG2 VAL 23 7.120 0.556 3.679
180 HG23 VAL 23 3HG2 VAL 23 7.057 -0.151 5.291
181 H CYS 24 HN CYS 24 4.753 -2.486 1.658
182 HA CYS 24 HA CYS 24 3.099 -4.426 2.766
183 HB2 CYS 24 2HB CYS 24 3.670 -3.706 -0.090
184 HB3 CYS 24 1HB CYS 24 2.409 -4.845 0.368
185 H ARG 25 HN ARG 25 6.082 -4.788 0.927
186 HA ARG 25 HA ARG 25 6.033 -7.572 0.636
187 HB2 ARG 25 2HB ARG 25 7.660 -6.168 -0.543
188 HB3 ARG 25 1HB ARG 25 8.401 -5.717 0.984
189 HG2 ARG 25 2HG ARG 25 9.047 -8.062 1.339
190 HG3 ARG 25 1HG ARG 25 8.360 -8.478 -0.229
191 HD2 ARG 25 2HD ARG 25 10.762 -8.209 -0.395
192 HD3 ARG 25 1HD ARG 25 9.943 -6.942 -1.308
193 HE ARG 25 HE ARG 25 10.344 -5.665 0.951
194 HH11 ARG 25 1HH1 ARG 25 12.606 -7.750 -0.804
195 HH12 ARG 25 2HH1 ARG 25 14.000 -6.974 -0.219
196 HH21 ARG 25 1HH2 ARG 25 12.238 -4.562 1.702
197 HH22 ARG 25 2HH2 ARG 25 13.784 -5.089 1.237
198 H THR 26 HN THR 26 7.422 -5.541 3.229
199 HA THR 26 HA THR 26 8.289 -7.725 4.769
200 HB THR 26 HB THR 26 8.455 -6.052 6.670
201 HG1 THR 26 1HG THR 26 6.763 -4.639 5.178
202 HG21 THR 26 1HG2 THR 26 9.687 -5.242 4.032
203 HG22 THR 26 2HG2 THR 26 10.327 -6.457 5.135
204 HG23 THR 26 3HG2 THR 26 10.270 -4.764 5.627
205 H GLU 27 HN GLU 27 5.199 -6.194 4.507
206 HA GLU 27 HA GLU 27 4.058 -7.379 6.845
207 HB2 GLU 27 2HB GLU 27 2.855 -6.099 4.400
208 HB3 GLU 27 1HB GLU 27 1.882 -6.742 5.717
209 HG2 GLU 27 2HG GLU 27 3.940 -4.574 5.969
210 HG3 GLU 27 1HG GLU 27 2.198 -4.323 5.843
211 H GLY 28 HN GLY 28 4.842 -8.528 3.751
212 HA2 GLY 28 2HA GLY 28 4.745 -10.827 3.210
213 HA3 GLY 28 1HA GLY 28 3.413 -11.007 4.339
214 H PHE 29 HN PHE 29 3.445 -8.389 2.068
215 HA PHE 29 HA PHE 29 1.311 -9.709 0.563
216 HB2 PHE 29 2HB PHE 29 1.799 -6.782 1.132
217 HB3 PHE 29 1HB PHE 29 0.608 -7.359 -0.023
218 HD1 PHE 29 1HD PHE 29 -0.971 -9.251 1.051
219 HD2 PHE 29 2HD PHE 29 1.007 -6.157 3.181
220 HE1 PHE 29 1HE PHE 29 -2.659 -9.389 2.784
221 HE2 PHE 29 2HE PHE 29 -0.687 -6.290 4.953
222 HZ PHE 29 HZ PHE 29 -2.536 -7.911 4.764
223 HA PRO 30 HA PRO 30 3.664 -9.612 -3.202
224 HB2 PRO 30 2HB PRO 30 1.329 -8.208 -4.403
225 HB3 PRO 30 1HB PRO 30 2.185 -9.650 -4.963
226 HG2 PRO 30 2HG PRO 30 -0.181 -9.850 -3.786
227 HG3 PRO 30 1HG PRO 30 1.098 -11.034 -3.462
228 HD2 PRO 30 2HD PRO 30 0.103 -8.798 -1.760
229 HD3 PRO 30 1HD PRO 30 0.701 -10.403 -1.292
230 H GLY 31 HN GLY 31 1.789 -6.550 -2.830
231 HA2 GLY 31 2HA GLY 31 4.199 -5.018 -2.945
232 HA3 GLY 31 1HA GLY 31 3.304 -4.977 -4.457
233 H GLY 32 HN GLY 32 3.475 -2.621 -3.638
234 HA2 GLY 32 2HA GLY 32 1.109 -2.024 -1.999
235 HA3 GLY 32 1HA GLY 32 2.584 -1.058 -1.958
236 H ARG 33 HN ARG 33 -0.122 -0.252 -2.672
237 HA ARG 33 HA ARG 33 0.385 0.749 -5.394
238 HB2 ARG 33 2HB ARG 33 -1.144 -1.291 -5.133
239 HB3 ARG 33 1HB ARG 33 -2.314 -0.163 -4.463
240 HG2 ARG 33 2HG ARG 33 -2.882 -0.427 -6.713
241 HG3 ARG 33 1HG ARG 33 -2.024 1.116 -6.648
242 HD2 ARG 33 2HD ARG 33 -1.316 -0.287 -8.558
243 HD3 ARG 33 1HD ARG 33 0.010 0.061 -7.452
244 HE ARG 33 HE ARG 33 -0.312 -2.181 -6.530
245 HH11 ARG 33 1HH1 ARG 33 -1.710 -1.641 -9.769
246 HH12 ARG 33 2HH1 ARG 33 -1.491 -3.255 -10.257
247 HH21 ARG 33 1HH2 ARG 33 -0.015 -4.381 -7.256
248 HH22 ARG 33 2HH2 ARG 33 -0.556 -4.849 -8.802
249 H CYS 34 HN CYS 34 -0.685 2.692 -5.730
250 HA CYS 34 HA CYS 34 -1.559 4.119 -3.308
251 HB2 CYS 34 2HB CYS 34 -0.562 5.157 -5.958
252 HB3 CYS 34 1HB CYS 34 -1.294 6.187 -4.737
253 H ARG 35 HN ARG 35 -3.626 4.450 -3.050
254 HA ARG 35 HA ARG 35 -5.204 5.095 -5.435
255 HB2 ARG 35 2HB ARG 35 -6.937 3.540 -5.145
256 HB3 ARG 35 1HB ARG 35 -5.487 2.606 -4.812
257 HG2 ARG 35 2HG ARG 35 -5.876 2.747 -2.451
258 HG3 ARG 35 1HG ARG 35 -7.247 3.827 -2.708
259 HD2 ARG 35 2HD ARG 35 -8.313 2.002 -4.035
260 HD3 ARG 35 1HD ARG 35 -7.002 0.945 -3.520
261 HE ARG 35 HE ARG 35 -8.240 2.224 -1.326
262 HH11 ARG 35 1HH1 ARG 35 -8.577 -0.501 -3.548
263 HH12 ARG 35 2HH1 ARG 35 -9.658 -1.375 -2.573
264 HH21 ARG 35 1HH2 ARG 35 -9.725 1.023 0.040
265 HH22 ARG 35 2HH2 ARG 35 -10.342 -0.470 -0.486
266 H GLY 36 HN GLY 36 -4.381 5.815 -2.294
267 HA2 GLY 36 2HA GLY 36 -6.944 6.843 -1.499
268 HA3 GLY 36 1HA GLY 36 -5.429 6.968 -0.606
269 H PHE 37 HN PHE 37 -7.502 8.947 -1.428
270 HA PHE 37 HA PHE 37 -6.404 10.728 -3.365
271 HB2 PHE 37 2HB PHE 37 -8.141 11.586 -1.058
272 HB3 PHE 37 1HB PHE 37 -8.122 12.204 -2.703
273 HD1 PHE 37 1HD PHE 37 -9.727 10.083 -0.412
274 HD2 PHE 37 2HD PHE 37 -8.909 10.540 -4.551
275 HE1 PHE 37 1HE PHE 37 -11.573 8.588 -0.921
276 HE2 PHE 37 2HE PHE 37 -10.784 9.034 -5.083
277 HZ PHE 37 HZ PHE 37 -12.121 8.054 -3.265
278 H ARG 38 HN ARG 38 -6.028 10.097 -0.055
279 HA ARG 38 HA ARG 38 -4.474 12.463 0.574
280 HB2 ARG 38 2HB ARG 38 -5.195 10.042 2.240
281 HB3 ARG 38 1HB ARG 38 -4.498 11.541 2.843
282 HG2 ARG 38 2HG ARG 38 -6.495 12.768 2.230
283 HG3 ARG 38 1HG ARG 38 -7.179 11.332 1.480
284 HD2 ARG 38 2HD ARG 38 -8.173 11.698 3.648
285 HD3 ARG 38 1HD ARG 38 -7.219 10.220 3.660
286 HE ARG 38 HE ARG 38 -5.463 11.929 4.622
287 HH11 ARG 38 1HH1 ARG 38 -8.897 11.622 5.402
288 HH12 ARG 38 2HH1 ARG 38 -8.718 12.056 7.032
289 HH21 ARG 38 1HH2 ARG 38 -5.204 12.521 6.897
290 HH22 ARG 38 2HH2 ARG 38 -6.568 12.596 7.906
291 H ARG 39 HN ARG 39 -3.787 10.030 -1.249
292 HA ARG 39 HA ARG 39 -2.011 8.866 -1.938
293 HB2 ARG 39 2HB ARG 39 -0.499 10.904 -0.282
294 HB3 ARG 39 1HB ARG 39 0.255 9.800 -1.429
295 HG2 ARG 39 2HG ARG 39 -0.978 10.772 -3.245
296 HG3 ARG 39 1HG ARG 39 -1.859 11.818 -2.134
297 HD2 ARG 39 2HD ARG 39 0.189 12.979 -1.593
298 HD3 ARG 39 1HD ARG 39 1.114 11.870 -2.609
299 HE ARG 39 HE ARG 39 -0.902 12.943 -4.164
300 HH11 ARG 39 1HH1 ARG 39 1.969 14.207 -2.483
301 HH12 ARG 39 2HH1 ARG 39 2.223 15.424 -3.653
302 HH21 ARG 39 1HH2 ARG 39 -0.483 14.657 -5.736
303 HH22 ARG 39 2HH2 ARG 39 0.872 15.663 -5.471
304 H ARG 40 HN ARG 40 -3.218 7.414 -0.391
305 HA ARG 40 HA ARG 40 -1.538 6.542 1.824
306 HB2 ARG 40 2HB ARG 40 -4.358 5.804 1.049
307 HB3 ARG 40 1HB ARG 40 -3.478 5.014 2.345
308 HG2 ARG 40 2HG ARG 40 -3.360 7.149 3.541
309 HG3 ARG 40 1HG ARG 40 -4.247 7.927 2.225
310 HD2 ARG 40 2HD ARG 40 -6.153 6.478 2.614
311 HD3 ARG 40 1HD ARG 40 -5.276 5.609 3.868
312 HE ARG 40 HE ARG 40 -5.243 8.193 4.690
313 HH11 ARG 40 1HH1 ARG 40 -7.907 5.992 3.801
314 HH12 ARG 40 2HH1 ARG 40 -8.982 6.662 4.938
315 HH21 ARG 40 1HH2 ARG 40 -6.777 9.070 6.237
316 HH22 ARG 40 2HH2 ARG 40 -8.360 8.431 6.289
317 H CYS 41 HN CYS 41 -0.662 4.542 1.906
318 HA CYS 41 HA CYS 41 -0.293 3.182 -0.616
319 HB2 CYS 41 2HB CYS 41 1.675 3.655 0.792
320 HB3 CYS 41 1HB CYS 41 0.951 2.769 2.122
321 H PHE 42 HN PHE 42 -1.293 1.389 -1.116
322 HA PHE 42 HA PHE 42 -2.704 -0.080 0.981
323 HB2 PHE 42 2HB PHE 42 -3.570 0.518 -1.839
324 HB3 PHE 42 1HB PHE 42 -4.247 -0.783 -0.865
325 HD1 PHE 42 1HD PHE 42 -3.815 2.877 -1.032
326 HD2 PHE 42 2HD PHE 42 -5.888 -0.383 0.698
327 HE1 PHE 42 1HE PHE 42 -5.427 4.450 -0.016
328 HE2 PHE 42 2HE PHE 42 -7.497 1.172 1.735
329 HZ PHE 42 HZ PHE 42 -7.261 3.597 1.363
330 H CYS 43 HN CYS 43 -1.958 -1.974 1.229
331 HA CYS 43 HA CYS 43 -0.118 -3.187 -0.530
332 HB2 CYS 43 2HB CYS 43 -1.639 -4.262 1.840
333 HB3 CYS 43 1HB CYS 43 -0.366 -5.137 0.994
334 H THR 44 HN THR 44 -0.518 -4.256 -2.235
335 HA THR 44 HA THR 44 -3.222 -4.863 -3.041
336 HB THR 44 HB THR 44 -0.612 -5.313 -4.511
337 HG1 THR 44 1HG THR 44 -1.541 -3.041 -3.643
338 HG21 THR 44 1HG2 THR 44 -3.436 -4.817 -5.486
339 HG22 THR 44 2HG2 THR 44 -2.614 -6.377 -5.488
340 HG23 THR 44 3HG2 THR 44 -2.021 -5.065 -6.509
341 H THR 45 HN THR 45 -3.897 -6.704 -2.013
342 HA THR 45 HA THR 45 -2.119 -9.023 -2.111
343 HB THR 45 HB THR 45 -2.636 -8.242 0.199
344 HG1 THR 45 1HG THR 45 -3.747 -10.367 0.814
345 HG21 THR 45 1HG2 THR 45 -5.478 -8.979 -0.461
346 HG22 THR 45 2HG2 THR 45 -4.889 -7.335 -0.213
347 HG23 THR 45 3HG2 THR 45 -4.882 -8.488 1.124
348 H HIS 46 HN HIS 46 -3.481 -11.084 -2.169
349 HA HIS 46 HA HIS 46 -5.744 -10.706 -3.991
350 HB2 HIS 46 2HB HIS 46 -3.945 -13.129 -3.667
351 HB3 HIS 46 1HB HIS 46 -5.291 -12.991 -4.789
352 HD1 HIS 46 1HD HIS 46 -1.848 -13.069 -4.982
353 HD2 HIS 46 2HD HIS 46 -4.662 -10.373 -6.413
354 HE1 HIS 46 1HE HIS 46 -0.735 -11.873 -6.903
355 H CYS 47 HN CYS 47 -7.627 -11.877 -3.491
356 HA CYS 47 HA CYS 47 -7.571 -12.907 -0.792
357 HB2 CYS 47 2HB CYS 47 -9.846 -11.730 -2.366
358 HB3 CYS 47 1HB CYS 47 -10.091 -12.596 -0.850
Start of MODEL 18
1 H1 ARG 1 1HT ARG 1 -10.208 -8.138 -8.650
2 H2 ARG 1 2HT ARG 1 -9.831 -7.873 -10.263
3 H3 ARG 1 3HT ARG 1 -9.000 -7.042 -9.044
4 HA ARG 1 HA ARG 1 -8.980 -9.959 -9.513
5 HB2 ARG 1 2HB ARG 1 -7.722 -8.666 -11.206
6 HB3 ARG 1 1HB ARG 1 -6.785 -7.912 -9.925
7 HG2 ARG 1 2HG ARG 1 -5.942 -10.141 -9.288
8 HG3 ARG 1 1HG ARG 1 -6.808 -10.825 -10.663
9 HD2 ARG 1 2HD ARG 1 -5.534 -9.309 -12.150
10 HD3 ARG 1 1HD ARG 1 -4.612 -8.774 -10.746
11 HE ARG 1 HE ARG 1 -4.668 -11.606 -11.228
12 HH11 ARG 1 1HH1 ARG 1 -2.897 -8.565 -11.711
13 HH12 ARG 1 2HH1 ARG 1 -1.416 -9.329 -12.064
14 HH21 ARG 1 1HH2 ARG 1 -2.612 -12.639 -11.730
15 HH22 ARG 1 2HH2 ARG 1 -1.245 -11.690 -12.062
16 H THR 2 HN THR 2 -7.100 -7.379 -7.885
17 HA THR 2 HA THR 2 -6.672 -9.276 -5.727
18 HB THR 2 HB THR 2 -4.821 -7.646 -5.171
19 HG1 THR 2 1HG THR 2 -4.606 -6.698 -7.681
20 HG21 THR 2 1HG2 THR 2 -4.389 -9.783 -6.341
21 HG22 THR 2 2HG2 THR 2 -3.320 -8.507 -6.923
22 HG23 THR 2 3HG2 THR 2 -4.715 -8.993 -7.885
23 H CYS 3 HN CYS 3 -6.502 -8.232 -3.567
24 HA CYS 3 HA CYS 3 -8.540 -6.180 -3.230
25 HB2 CYS 3 2HB CYS 3 -7.523 -8.373 -1.404
26 HB3 CYS 3 1HB CYS 3 -8.625 -7.092 -0.865
27 H GLN 4 HN GLN 4 -7.990 -4.528 -1.783
28 HA GLN 4 HA GLN 4 -5.113 -4.276 -1.359
29 HB2 GLN 4 2HB GLN 4 -7.024 -2.144 -2.296
30 HB3 GLN 4 1HB GLN 4 -5.358 -1.850 -1.817
31 HG2 GLN 4 2HG GLN 4 -4.568 -3.315 -3.569
32 HG3 GLN 4 1HG GLN 4 -6.231 -3.647 -4.055
33 HE21 GLN 4 1HE2 GLN 4 -7.384 -2.043 -5.098
34 HE22 GLN 4 2HE2 GLN 4 -6.622 -0.700 -5.837
35 H SER 5 HN SER 5 -4.479 -3.793 0.559
36 HA SER 5 HA SER 5 -6.487 -2.990 2.544
37 HB2 SER 5 2HB SER 5 -4.099 -4.808 2.904
38 HB3 SER 5 1HB SER 5 -5.293 -4.390 4.141
39 HG SER 5 HG SER 5 -6.850 -5.210 2.566
40 H GLN 6 HN GLN 6 -5.870 -1.473 4.034
41 HA GLN 6 HA GLN 6 -3.918 0.427 3.307
42 HB2 GLN 6 2HB GLN 6 -5.960 1.002 4.450
43 HB3 GLN 6 1HB GLN 6 -5.518 0.013 5.831
44 HG2 GLN 6 2HG GLN 6 -3.647 1.562 6.285
45 HG3 GLN 6 1HG GLN 6 -4.181 2.562 4.932
46 HE21 GLN 6 1HE2 GLN 6 -4.604 4.331 6.281
47 HE22 GLN 6 2HE2 GLN 6 -5.953 4.367 7.342
48 H SER 7 HN SER 7 -1.810 0.641 3.924
49 HA SER 7 HA SER 7 -0.644 -1.369 5.605
50 HB2 SER 7 2HB SER 7 1.486 -0.071 4.999
51 HB3 SER 7 1HB SER 7 0.631 -0.846 3.665
52 HG SER 7 HG SER 7 -0.017 1.040 2.932
53 H HIS 8 HN HIS 8 0.011 -1.087 7.638
54 HA HIS 8 HA HIS 8 -0.987 1.366 8.866
55 HB2 HIS 8 2HB HIS 8 -0.519 -1.343 10.087
56 HB3 HIS 8 1HB HIS 8 -1.000 0.078 11.004
57 HD1 HIS 8 1HD HIS 8 -3.479 0.964 10.589
58 HD2 HIS 8 2HD HIS 8 -2.514 -2.589 8.668
59 HE1 HIS 8 1HE HIS 8 -5.664 -0.042 9.855
60 H ARG 9 HN ARG 9 1.974 -0.258 8.273
61 HA ARG 9 HA ARG 9 3.193 1.538 10.255
62 HB2 ARG 9 2HB ARG 9 5.270 0.141 10.075
63 HB3 ARG 9 1HB ARG 9 3.884 -0.740 10.688
64 HG2 ARG 9 2HG ARG 9 3.566 -1.741 8.484
65 HG3 ARG 9 1HG ARG 9 4.956 -0.836 7.893
66 HD2 ARG 9 2HD ARG 9 5.087 -2.792 10.170
67 HD3 ARG 9 1HD ARG 9 5.402 -3.234 8.496
68 HE ARG 9 HE ARG 9 6.981 -1.038 9.180
69 HH11 ARG 9 1HH1 ARG 9 6.743 -4.484 10.004
70 HH12 ARG 9 2HH1 ARG 9 8.404 -4.697 10.246
71 HH21 ARG 9 1HH2 ARG 9 9.316 -1.347 9.464
72 HH22 ARG 9 2HH2 ARG 9 9.910 -2.884 9.870
73 H PHE 10 HN PHE 10 2.227 1.898 7.436
74 HA PHE 10 HA PHE 10 4.509 2.736 5.937
75 HB2 PHE 10 2HB PHE 10 2.437 2.003 4.819
76 HB3 PHE 10 1HB PHE 10 1.578 3.352 5.536
77 HD1 PHE 10 1HD PHE 10 1.134 5.107 4.087
78 HD2 PHE 10 2HD PHE 10 4.717 2.867 3.539
79 HE1 PHE 10 1HE PHE 10 1.729 6.497 2.159
80 HE2 PHE 10 2HE PHE 10 5.289 4.240 1.638
81 HZ PHE 10 HZ PHE 10 3.807 6.062 0.933
82 H ARG 11 HN ARG 11 5.495 4.544 5.964
83 HA ARG 11 HA ARG 11 4.252 6.895 7.104
84 HB2 ARG 11 2HB ARG 11 6.490 7.413 8.157
85 HB3 ARG 11 1HB ARG 11 5.573 6.117 8.911
86 HG2 ARG 11 2HG ARG 11 6.957 4.474 7.743
87 HG3 ARG 11 1HG ARG 11 7.875 5.784 7.004
88 HD2 ARG 11 2HD ARG 11 8.594 6.542 9.170
89 HD3 ARG 11 1HD ARG 11 7.601 5.311 9.955
90 HE ARG 11 HE ARG 11 9.202 3.939 8.241
91 HH11 ARG 11 1HH1 ARG 11 9.837 6.115 10.945
92 HH12 ARG 11 2HH1 ARG 11 11.290 5.367 11.398
93 HH21 ARG 11 1HH2 ARG 11 11.188 2.916 8.835
94 HH22 ARG 11 2HH2 ARG 11 12.084 3.490 10.172
95 H GLY 12 HN GLY 12 4.288 8.381 5.574
96 HA2 GLY 12 2HA GLY 12 5.918 9.814 4.311
97 HA3 GLY 12 1HA GLY 12 6.470 8.292 3.618
98 HA PRO 13 HA PRO 13 3.004 9.799 1.002
99 HB2 PRO 13 2HB PRO 13 4.359 10.480 -1.224
100 HB3 PRO 13 1HB PRO 13 4.149 11.598 0.127
101 HG2 PRO 13 2HG PRO 13 6.548 10.053 -0.693
102 HG3 PRO 13 1HG PRO 13 6.445 11.631 0.097
103 HD2 PRO 13 2HD PRO 13 6.978 9.161 1.342
104 HD3 PRO 13 1HD PRO 13 6.578 10.683 2.158
105 H CYS 14 HN CYS 14 1.929 8.409 -0.283
106 HA CYS 14 HA CYS 14 2.882 5.822 -0.833
107 HB2 CYS 14 2HB CYS 14 0.516 6.275 -0.565
108 HB3 CYS 14 1HB CYS 14 0.518 7.298 -1.993
109 H LEU 15 HN LEU 15 3.262 8.717 -2.496
110 HA LEU 15 HA LEU 15 3.377 7.788 -5.164
111 HB2 LEU 15 2HB LEU 15 4.317 10.339 -3.898
112 HB3 LEU 15 1HB LEU 15 4.663 9.995 -5.579
113 HG LEU 15 HG LEU 15 2.204 9.862 -6.003
114 HD11 LEU 15 1HD1 LEU 15 1.937 10.846 -3.173
115 HD12 LEU 15 2HD1 LEU 15 1.398 9.292 -3.802
116 HD13 LEU 15 3HD1 LEU 15 0.643 10.782 -4.370
117 HD21 LEU 15 1HD2 LEU 15 3.421 11.899 -6.477
118 HD22 LEU 15 2HD2 LEU 15 3.195 12.446 -4.816
119 HD23 LEU 15 3HD2 LEU 15 1.803 12.273 -5.886
120 H ARG 16 HN ARG 16 5.456 7.169 -2.717
121 HA ARG 16 HA ARG 16 7.668 6.719 -4.570
122 HB2 ARG 16 2HB ARG 16 7.632 6.823 -1.552
123 HB3 ARG 16 1HB ARG 16 9.042 6.386 -2.508
124 HG2 ARG 16 2HG ARG 16 9.064 8.580 -3.537
125 HG3 ARG 16 1HG ARG 16 7.587 9.004 -2.668
126 HD2 ARG 16 2HD ARG 16 8.712 8.817 -0.578
127 HD3 ARG 16 1HD ARG 16 10.197 8.270 -1.369
128 HE ARG 16 HE ARG 16 9.588 10.688 -2.487
129 HH11 ARG 16 1HH1 ARG 16 10.137 9.548 0.797
130 HH12 ARG 16 2HH1 ARG 16 10.875 10.969 1.349
131 HH21 ARG 16 1HH2 ARG 16 10.617 12.675 -1.759
132 HH22 ARG 16 2HH2 ARG 16 11.188 12.781 -0.145
133 H ARG 17 HN ARG 17 7.226 4.864 -5.517
134 HA ARG 17 HA ARG 17 5.743 2.745 -4.494
135 HB2 ARG 17 2HB ARG 17 6.159 3.119 -6.907
136 HB3 ARG 17 1HB ARG 17 7.832 2.628 -6.675
137 HG2 ARG 17 2HG ARG 17 6.981 0.414 -5.867
138 HG3 ARG 17 1HG ARG 17 5.371 0.931 -6.356
139 HD2 ARG 17 2HD ARG 17 7.770 0.695 -8.170
140 HD3 ARG 17 1HD ARG 17 6.454 -0.466 -8.050
141 HE ARG 17 HE ARG 17 5.145 1.744 -8.667
142 HH11 ARG 17 1HH1 ARG 17 8.019 0.251 -10.062
143 HH12 ARG 17 2HH1 ARG 17 7.791 0.842 -11.632
144 HH21 ARG 17 1HH2 ARG 17 4.764 2.584 -10.893
145 HH22 ARG 17 2HH2 ARG 17 5.902 2.202 -12.095
146 H SER 18 HN SER 18 9.190 3.409 -4.294
147 HA SER 18 HA SER 18 10.118 0.919 -3.489
148 HB2 SER 18 2HB SER 18 11.938 2.276 -2.391
149 HB3 SER 18 1HB SER 18 11.639 2.699 -4.076
150 HG SER 18 HG SER 18 11.627 4.242 -2.002
151 H ASN 19 HN ASN 19 8.924 3.617 -1.586
152 HA ASN 19 HA ASN 19 9.200 2.350 0.954
153 HB2 ASN 19 2HB ASN 19 9.265 4.808 0.636
154 HB3 ASN 19 1HB ASN 19 7.582 4.782 0.148
155 HD21 ASN 19 1HD2 ASN 19 7.164 6.283 1.827
156 HD22 ASN 19 2HD2 ASN 19 7.046 5.766 3.469
157 H CYS 20 HN CYS 20 6.561 2.841 -1.275
158 HA CYS 20 HA CYS 20 4.463 1.836 0.307
159 HB2 CYS 20 2HB CYS 20 4.131 3.232 -1.690
160 HB3 CYS 20 1HB CYS 20 4.780 1.959 -2.703
161 H ALA 21 HN ALA 21 6.376 0.163 -2.269
162 HA ALA 21 HA ALA 21 5.073 -2.307 -1.816
163 HB1 ALA 21 1HB ALA 21 6.736 -3.286 -3.271
164 HB2 ALA 21 2HB ALA 21 7.750 -1.858 -3.100
165 HB3 ALA 21 3HB ALA 21 6.203 -1.741 -3.945
166 H ASN 22 HN ASN 22 8.044 -0.852 -0.517
167 HA ASN 22 HA ASN 22 8.989 -3.180 0.737
168 HB2 ASN 22 2HB ASN 22 10.419 -1.210 0.441
169 HB3 ASN 22 1HB ASN 22 9.416 -0.299 1.561
170 HD21 ASN 22 1HD2 ASN 22 9.653 -0.653 3.762
171 HD22 ASN 22 2HD2 ASN 22 10.925 -1.588 4.432
172 H VAL 23 HN VAL 23 6.870 -0.574 1.980
173 HA VAL 23 HA VAL 23 6.709 -1.690 4.542
174 HB VAL 23 HB VAL 23 6.049 0.686 4.053
175 HG11 VAL 23 1HG1 VAL 23 4.740 0.436 2.062
176 HG12 VAL 23 2HG1 VAL 23 3.731 1.155 3.326
177 HG13 VAL 23 3HG1 VAL 23 3.561 -0.546 2.919
178 HG21 VAL 23 1HG2 VAL 23 4.148 0.728 5.619
179 HG22 VAL 23 2HG2 VAL 23 5.512 -0.258 6.133
180 HG23 VAL 23 3HG2 VAL 23 4.060 -1.032 5.490
181 H CYS 24 HN CYS 24 4.638 -2.069 1.701
182 HA CYS 24 HA CYS 24 2.817 -3.757 2.965
183 HB2 CYS 24 2HB CYS 24 3.554 -3.358 0.090
184 HB3 CYS 24 1HB CYS 24 2.270 -4.462 0.567
185 H ARG 25 HN ARG 25 5.856 -4.408 1.385
186 HA ARG 25 HA ARG 25 5.625 -7.204 1.308
187 HB2 ARG 25 2HB ARG 25 7.276 -5.840 0.040
188 HB3 ARG 25 1HB ARG 25 8.127 -5.536 1.542
189 HG2 ARG 25 2HG ARG 25 8.647 -7.895 1.752
190 HG3 ARG 25 1HG ARG 25 7.716 -8.237 0.291
191 HD2 ARG 25 2HD ARG 25 10.142 -6.463 0.448
192 HD3 ARG 25 1HD ARG 25 10.121 -8.107 -0.195
193 HE ARG 25 HE ARG 25 8.267 -6.922 -1.689
194 HH11 ARG 25 1HH1 ARG 25 11.569 -5.872 -0.906
195 HH12 ARG 25 2HH1 ARG 25 11.763 -4.986 -2.354
196 HH21 ARG 25 1HH2 ARG 25 8.556 -5.727 -3.647
197 HH22 ARG 25 2HH2 ARG 25 10.018 -4.876 -3.912
198 H THR 26 HN THR 26 6.894 -4.992 3.791
199 HA THR 26 HA THR 26 7.532 -7.237 5.451
200 HB THR 26 HB THR 26 9.019 -5.299 5.599
201 HG1 THR 26 1HG THR 26 7.626 -6.209 7.814
202 HG21 THR 26 1HG2 THR 26 7.421 -3.509 5.188
203 HG22 THR 26 2HG2 THR 26 8.296 -3.209 6.693
204 HG23 THR 26 3HG2 THR 26 6.641 -3.822 6.736
205 H GLU 27 HN GLU 27 4.682 -5.408 4.934
206 HA GLU 27 HA GLU 27 3.591 -6.428 7.401
207 HB2 GLU 27 2HB GLU 27 2.350 -4.685 5.265
208 HB3 GLU 27 1HB GLU 27 1.376 -5.400 6.546
209 HG2 GLU 27 2HG GLU 27 2.880 -4.294 8.206
210 HG3 GLU 27 1HG GLU 27 3.672 -3.479 6.865
211 H GLY 28 HN GLY 28 4.356 -7.920 4.740
212 HA2 GLY 28 2HA GLY 28 3.941 -10.206 4.370
213 HA3 GLY 28 1HA GLY 28 2.479 -10.069 5.330
214 H PHE 29 HN PHE 29 3.184 -7.899 2.693
215 HA PHE 29 HA PHE 29 1.046 -9.179 1.170
216 HB2 PHE 29 2HB PHE 29 1.792 -6.282 1.430
217 HB3 PHE 29 1HB PHE 29 0.637 -6.891 0.244
218 HD1 PHE 29 1HD PHE 29 -1.348 -8.012 1.024
219 HD2 PHE 29 2HD PHE 29 1.159 -5.894 3.661
220 HE1 PHE 29 1HE PHE 29 -3.203 -7.881 2.645
221 HE2 PHE 29 2HE PHE 29 -0.650 -5.749 5.311
222 HZ PHE 29 HZ PHE 29 -2.853 -6.750 4.802
223 HA PRO 30 HA PRO 30 4.037 -9.693 -2.036
224 HB2 PRO 30 2HB PRO 30 2.380 -9.901 -4.186
225 HB3 PRO 30 1HB PRO 30 2.622 -11.198 -3.012
226 HG2 PRO 30 2HG PRO 30 0.395 -9.220 -3.223
227 HG3 PRO 30 1HG PRO 30 0.321 -10.949 -2.844
228 HD2 PRO 30 2HD PRO 30 0.157 -9.015 -0.950
229 HD3 PRO 30 1HD PRO 30 0.867 -10.609 -0.630
230 H GLY 31 HN GLY 31 1.687 -7.062 -2.295
231 HA2 GLY 31 2HA GLY 31 3.721 -5.452 -3.585
232 HA3 GLY 31 1HA GLY 31 2.294 -5.771 -4.563
233 H GLY 32 HN GLY 32 2.589 -3.241 -4.231
234 HA2 GLY 32 2HA GLY 32 0.435 -2.487 -2.483
235 HA3 GLY 32 1HA GLY 32 2.003 -1.812 -2.036
236 H ARG 33 HN ARG 33 -0.486 -0.537 -3.081
237 HA ARG 33 HA ARG 33 0.791 1.122 -5.057
238 HB2 ARG 33 2HB ARG 33 -0.217 -0.670 -6.445
239 HB3 ARG 33 1HB ARG 33 -1.771 -0.375 -5.674
240 HG2 ARG 33 2HG ARG 33 -1.728 0.599 -7.888
241 HG3 ARG 33 1HG ARG 33 -1.824 1.868 -6.668
242 HD2 ARG 33 2HD ARG 33 0.672 2.112 -6.871
243 HD3 ARG 33 1HD ARG 33 0.591 1.005 -8.241
244 HE ARG 33 HE ARG 33 -1.233 3.048 -8.705
245 HH11 ARG 33 1HH1 ARG 33 2.275 2.678 -8.452
246 HH12 ARG 33 2HH1 ARG 33 2.620 4.017 -9.440
247 HH21 ARG 33 1HH2 ARG 33 -0.760 4.884 -10.023
248 HH22 ARG 33 2HH2 ARG 33 0.863 5.337 -10.337
249 H CYS 34 HN CYS 34 -0.476 3.060 -5.402
250 HA CYS 34 HA CYS 34 -1.703 4.084 -3.077
251 HB2 CYS 34 2HB CYS 34 -1.520 5.143 -5.888
252 HB3 CYS 34 1HB CYS 34 -2.116 6.073 -4.516
253 H ARG 35 HN ARG 35 -3.806 4.622 -2.699
254 HA ARG 35 HA ARG 35 -5.847 3.780 -4.597
255 HB2 ARG 35 2HB ARG 35 -5.440 1.721 -3.407
256 HB3 ARG 35 1HB ARG 35 -5.559 2.538 -1.866
257 HG2 ARG 35 2HG ARG 35 -7.544 1.224 -2.230
258 HG3 ARG 35 1HG ARG 35 -7.965 2.929 -2.286
259 HD2 ARG 35 2HD ARG 35 -7.502 1.205 -4.723
260 HD3 ARG 35 1HD ARG 35 -9.080 1.501 -4.001
261 HE ARG 35 HE ARG 35 -8.223 3.987 -4.417
262 HH11 ARG 35 1HH1 ARG 35 -8.327 1.231 -6.631
263 HH12 ARG 35 2HH1 ARG 35 -8.412 2.188 -8.036
264 HH21 ARG 35 1HH2 ARG 35 -8.396 5.279 -6.346
265 HH22 ARG 35 2HH2 ARG 35 -8.504 4.504 -7.872
266 H GLY 36 HN GLY 36 -5.117 5.178 -1.439
267 HA2 GLY 36 2HA GLY 36 -7.754 6.337 -1.241
268 HA3 GLY 36 1HA GLY 36 -6.431 6.518 -0.099
269 H PHE 37 HN PHE 37 -7.901 8.658 -0.634
270 HA PHE 37 HA PHE 37 -6.702 10.327 -2.708
271 HB2 PHE 37 2HB PHE 37 -8.386 11.287 -0.396
272 HB3 PHE 37 1HB PHE 37 -8.180 12.039 -1.968
273 HD1 PHE 37 1HD PHE 37 -9.337 11.042 -3.958
274 HD2 PHE 37 2HD PHE 37 -10.016 9.698 0.019
275 HE1 PHE 37 1HE PHE 37 -11.434 9.969 -4.676
276 HE2 PHE 37 2HE PHE 37 -12.070 8.629 -0.660
277 HZ PHE 37 HZ PHE 37 -12.816 8.751 -3.027
278 H ARG 38 HN ARG 38 -6.376 9.521 0.571
279 HA ARG 38 HA ARG 38 -4.916 11.848 1.399
280 HB2 ARG 38 2HB ARG 38 -5.505 9.253 2.830
281 HB3 ARG 38 1HB ARG 38 -4.790 10.681 3.573
282 HG2 ARG 38 2HG ARG 38 -6.809 11.968 3.046
283 HG3 ARG 38 1HG ARG 38 -7.529 10.547 2.309
284 HD2 ARG 38 2HD ARG 38 -6.691 10.764 5.195
285 HD3 ARG 38 1HD ARG 38 -8.335 10.979 4.604
286 HE ARG 38 HE ARG 38 -6.810 8.461 4.446
287 HH11 ARG 38 1HH1 ARG 38 -9.900 10.170 4.843
288 HH12 ARG 38 2HH1 ARG 38 -10.815 8.769 5.110
289 HH21 ARG 38 1HH2 ARG 38 -8.076 6.519 4.829
290 HH22 ARG 38 2HH2 ARG 38 -9.742 6.618 5.090
291 H ARG 39 HN ARG 39 -3.955 9.665 -0.604
292 HA ARG 39 HA ARG 39 -2.005 8.892 -1.407
293 HB2 ARG 39 2HB ARG 39 -0.787 10.966 0.428
294 HB3 ARG 39 1HB ARG 39 0.060 10.157 -0.888
295 HG2 ARG 39 2HG ARG 39 -1.531 11.117 -2.484
296 HG3 ARG 39 1HG ARG 39 -2.345 11.942 -1.157
297 HD2 ARG 39 2HD ARG 39 -0.234 13.148 -0.677
298 HD3 ARG 39 1HD ARG 39 0.485 12.368 -2.089
299 HE ARG 39 HE ARG 39 -1.933 13.625 -2.772
300 HH11 ARG 39 1HH1 ARG 39 1.482 14.357 -2.171
301 HH12 ARG 39 2HH1 ARG 39 1.463 15.856 -2.966
302 HH21 ARG 39 1HH2 ARG 39 -1.960 15.706 -3.889
303 HH22 ARG 39 2HH2 ARG 39 -0.534 16.633 -3.975
304 H ARG 40 HN ARG 40 -2.959 7.169 0.224
305 HA ARG 40 HA ARG 40 -0.781 6.364 2.014
306 HB2 ARG 40 2HB ARG 40 -3.723 5.682 2.166
307 HB3 ARG 40 1HB ARG 40 -2.484 5.021 3.220
308 HG2 ARG 40 2HG ARG 40 -3.250 7.932 3.021
309 HG3 ARG 40 1HG ARG 40 -3.737 6.814 4.295
310 HD2 ARG 40 2HD ARG 40 -0.897 7.622 3.654
311 HD3 ARG 40 1HD ARG 40 -1.865 8.231 4.991
312 HE ARG 40 HE ARG 40 -1.865 5.489 5.220
313 HH11 ARG 40 1HH1 ARG 40 0.541 8.071 5.343
314 HH12 ARG 40 2HH1 ARG 40 1.535 7.301 6.477
315 HH21 ARG 40 1HH2 ARG 40 -0.430 4.352 6.750
316 HH22 ARG 40 2HH2 ARG 40 0.987 5.144 7.260
317 H CYS 41 HN CYS 41 0.121 4.433 1.716
318 HA CYS 41 HA CYS 41 -0.251 3.165 -0.787
319 HB2 CYS 41 2HB CYS 41 1.966 3.337 0.187
320 HB3 CYS 41 1HB CYS 41 1.445 2.451 1.612
321 H PHE 42 HN PHE 42 -1.527 1.532 -1.273
322 HA PHE 42 HA PHE 42 -2.678 0.016 0.903
323 HB2 PHE 42 2HB PHE 42 -3.799 0.984 -1.663
324 HB3 PHE 42 1HB PHE 42 -4.324 -0.575 -1.042
325 HD1 PHE 42 1HD PHE 42 -6.227 -0.591 0.172
326 HD2 PHE 42 2HD PHE 42 -3.767 2.873 0.309
327 HE1 PHE 42 1HE PHE 42 -7.833 0.479 1.683
328 HE2 PHE 42 2HE PHE 42 -5.381 3.956 1.829
329 HZ PHE 42 HZ PHE 42 -7.416 2.749 2.515
330 H CYS 43 HN CYS 43 -2.077 -1.820 1.087
331 HA CYS 43 HA CYS 43 -0.202 -3.068 -0.591
332 HB2 CYS 43 2HB CYS 43 -1.718 -4.039 1.803
333 HB3 CYS 43 1HB CYS 43 -0.300 -4.813 1.095
334 H THR 44 HN THR 44 -0.556 -4.332 -2.178
335 HA THR 44 HA THR 44 -3.237 -5.096 -2.943
336 HB THR 44 HB THR 44 -0.555 -5.423 -4.307
337 HG1 THR 44 1HG THR 44 -1.804 -3.257 -3.737
338 HG21 THR 44 1HG2 THR 44 -3.373 -5.538 -5.413
339 HG22 THR 44 2HG2 THR 44 -2.302 -6.923 -5.196
340 HG23 THR 44 3HG2 THR 44 -1.891 -5.661 -6.359
341 H THR 45 HN THR 45 -4.001 -7.054 -2.360
342 HA THR 45 HA THR 45 -2.099 -9.222 -1.915
343 HB THR 45 HB THR 45 -2.991 -8.189 0.220
344 HG1 THR 45 1HG THR 45 -2.930 -10.128 1.157
345 HG21 THR 45 1HG2 THR 45 -5.284 -7.731 -0.464
346 HG22 THR 45 2HG2 THR 45 -5.264 -8.815 0.929
347 HG23 THR 45 3HG2 THR 45 -5.576 -9.458 -0.683
348 H HIS 46 HN HIS 46 -3.223 -11.317 -1.972
349 HA HIS 46 HA HIS 46 -4.851 -11.453 -4.381
350 HB2 HIS 46 2HB HIS 46 -2.792 -12.843 -4.124
351 HB3 HIS 46 1HB HIS 46 -3.540 -13.652 -2.758
352 HD1 HIS 46 1HD HIS 46 -5.186 -15.592 -3.310
353 HD2 HIS 46 2HD HIS 46 -3.849 -13.489 -6.636
354 HE1 HIS 46 1HE HIS 46 -5.875 -16.954 -5.298
355 H CYS 47 HN CYS 47 -6.969 -11.966 -4.347
356 HA CYS 47 HA CYS 47 -8.019 -13.033 -1.881
357 HB2 CYS 47 2HB CYS 47 -9.253 -11.067 -3.757
358 HB3 CYS 47 1HB CYS 47 -10.276 -12.088 -2.748
Start of MODEL 19
1 H1 ARG 1 1HT ARG 1 -12.483 -5.884 -6.361
2 H2 ARG 1 2HT ARG 1 -12.845 -7.483 -6.034
3 H3 ARG 1 3HT ARG 1 -13.804 -6.606 -7.096
4 HA ARG 1 HA ARG 1 -12.405 -8.142 -8.257
5 HB2 ARG 1 2HB ARG 1 -13.053 -6.058 -9.370
6 HB3 ARG 1 1HB ARG 1 -11.660 -5.239 -8.690
7 HG2 ARG 1 2HG ARG 1 -11.324 -5.816 -11.045
8 HG3 ARG 1 1HG ARG 1 -10.163 -6.636 -9.999
9 HD2 ARG 1 2HD ARG 1 -11.507 -8.664 -10.101
10 HD3 ARG 1 1HD ARG 1 -12.681 -7.850 -11.136
11 HE ARG 1 HE ARG 1 -10.326 -7.558 -12.417
12 HH11 ARG 1 1HH1 ARG 1 -12.133 -10.382 -11.216
13 HH12 ARG 1 2HH1 ARG 1 -11.530 -11.425 -12.409
14 HH21 ARG 1 1HH2 ARG 1 -9.518 -9.011 -14.037
15 HH22 ARG 1 2HH2 ARG 1 -10.012 -10.646 -14.041
16 H THR 2 HN THR 2 -10.525 -5.898 -6.218
17 HA THR 2 HA THR 2 -8.487 -7.925 -6.239
18 HB THR 2 HB THR 2 -7.610 -6.226 -7.736
19 HG1 THR 2 1HG THR 2 -5.722 -6.419 -6.884
20 HG21 THR 2 1HG2 THR 2 -8.895 -4.293 -7.025
21 HG22 THR 2 2HG2 THR 2 -7.172 -3.914 -6.964
22 HG23 THR 2 3HG2 THR 2 -8.052 -4.273 -5.478
23 H CYS 3 HN CYS 3 -7.115 -7.644 -4.447
24 HA CYS 3 HA CYS 3 -8.682 -6.740 -2.129
25 HB2 CYS 3 2HB CYS 3 -6.617 -8.913 -2.220
26 HB3 CYS 3 1HB CYS 3 -7.620 -8.504 -0.840
27 H GLN 4 HN GLN 4 -7.797 -5.130 -1.084
28 HA GLN 4 HA GLN 4 -4.896 -4.836 -1.064
29 HB2 GLN 4 2HB GLN 4 -6.796 -2.580 -1.741
30 HB3 GLN 4 1HB GLN 4 -5.075 -2.416 -1.438
31 HG2 GLN 4 2HG GLN 4 -4.632 -3.863 -3.397
32 HG3 GLN 4 1HG GLN 4 -6.363 -3.885 -3.726
33 HE21 GLN 4 1HE2 GLN 4 -6.092 -2.907 -5.702
34 HE22 GLN 4 2HE2 GLN 4 -5.676 -1.237 -5.868
35 H SER 5 HN SER 5 -4.119 -4.251 0.806
36 HA SER 5 HA SER 5 -6.031 -3.444 2.859
37 HB2 SER 5 2HB SER 5 -3.584 -5.188 3.168
38 HB3 SER 5 1HB SER 5 -4.710 -4.701 4.443
39 HG SER 5 HG SER 5 -6.349 -5.657 3.008
40 H GLN 6 HN GLN 6 -5.598 -1.596 3.802
41 HA GLN 6 HA GLN 6 -3.417 0.038 3.039
42 HB2 GLN 6 2HB GLN 6 -4.310 1.585 4.825
43 HB3 GLN 6 1HB GLN 6 -5.479 1.104 3.607
44 HG2 GLN 6 2HG GLN 6 -6.309 -0.633 5.219
45 HG3 GLN 6 1HG GLN 6 -5.252 0.081 6.427
46 HE21 GLN 6 1HE2 GLN 6 -6.987 0.594 7.722
47 HE22 GLN 6 2HE2 GLN 6 -8.086 1.869 7.372
48 H SER 7 HN SER 7 -1.400 0.078 3.781
49 HA SER 7 HA SER 7 -0.629 -1.665 5.876
50 HB2 SER 7 2HB SER 7 0.885 -1.260 4.003
51 HB3 SER 7 1HB SER 7 1.000 0.446 4.447
52 HG SER 7 HG SER 7 1.712 -1.705 6.158
53 H HIS 8 HN HIS 8 -0.378 -1.319 7.901
54 HA HIS 8 HA HIS 8 -1.219 1.188 9.069
55 HB2 HIS 8 2HB HIS 8 -1.865 -1.163 9.791
56 HB3 HIS 8 1HB HIS 8 -0.229 -1.267 10.417
57 HD1 HIS 8 1HD HIS 8 0.091 -0.464 12.817
58 HD2 HIS 8 2HD HIS 8 -3.384 1.000 11.071
59 HE1 HIS 8 1HE HIS 8 -1.175 0.694 14.655
60 H ARG 9 HN ARG 9 1.689 -0.669 8.578
61 HA ARG 9 HA ARG 9 3.150 0.967 10.489
62 HB2 ARG 9 2HB ARG 9 5.051 -0.529 10.112
63 HB3 ARG 9 1HB ARG 9 3.605 -1.448 10.490
64 HG2 ARG 9 2HG ARG 9 3.317 -1.941 8.102
65 HG3 ARG 9 1HG ARG 9 4.793 -1.035 7.769
66 HD2 ARG 9 2HD ARG 9 5.225 -3.422 7.808
67 HD3 ARG 9 1HD ARG 9 6.071 -2.631 9.150
68 HE ARG 9 HE ARG 9 3.512 -4.054 9.409
69 HH11 ARG 9 1HH1 ARG 9 6.879 -3.595 10.468
70 HH12 ARG 9 2HH1 ARG 9 6.711 -4.475 11.907
71 HH21 ARG 9 1HH2 ARG 9 3.299 -5.332 11.418
72 HH22 ARG 9 2HH2 ARG 9 4.630 -5.482 12.471
73 H PHE 10 HN PHE 10 2.132 1.570 7.573
74 HA PHE 10 HA PHE 10 4.554 2.484 6.325
75 HB2 PHE 10 2HB PHE 10 2.608 1.707 4.971
76 HB3 PHE 10 1HB PHE 10 1.675 3.079 5.562
77 HD1 PHE 10 1HD PHE 10 4.726 2.175 3.673
78 HD2 PHE 10 2HD PHE 10 1.783 5.145 4.445
79 HE1 PHE 10 1HE PHE 10 5.640 3.545 1.856
80 HE2 PHE 10 2HE PHE 10 2.684 6.508 2.634
81 HZ PHE 10 HZ PHE 10 4.616 5.721 1.330
82 H ARG 11 HN ARG 11 4.951 4.723 5.819
83 HA ARG 11 HA ARG 11 3.848 6.617 7.705
84 HB2 ARG 11 2HB ARG 11 6.240 7.315 8.243
85 HB3 ARG 11 1HB ARG 11 5.652 5.832 8.980
86 HG2 ARG 11 2HG ARG 11 6.802 4.558 7.169
87 HG3 ARG 11 1HG ARG 11 7.502 6.080 6.618
88 HD2 ARG 11 2HD ARG 11 8.638 6.372 8.700
89 HD3 ARG 11 1HD ARG 11 7.781 4.994 9.391
90 HE ARG 11 HE ARG 11 9.441 4.487 7.056
91 HH11 ARG 11 1HH1 ARG 11 9.126 4.255 10.587
92 HH12 ARG 11 2HH1 ARG 11 10.346 3.092 10.765
93 HH21 ARG 11 1HH2 ARG 11 11.066 2.871 7.292
94 HH22 ARG 11 2HH2 ARG 11 11.486 2.247 8.815
95 H GLY 12 HN GLY 12 3.127 8.156 6.373
96 HA2 GLY 12 2HA GLY 12 3.775 10.180 5.270
97 HA3 GLY 12 1HA GLY 12 5.078 9.286 4.500
98 HA PRO 13 HA PRO 13 1.718 9.284 1.433
99 HB2 PRO 13 2HB PRO 13 3.084 10.393 -0.595
100 HB3 PRO 13 1HB PRO 13 2.360 11.362 0.693
101 HG2 PRO 13 2HG PRO 13 5.200 10.740 0.174
102 HG3 PRO 13 1HG PRO 13 4.492 12.093 1.066
103 HD2 PRO 13 2HD PRO 13 5.624 9.673 2.138
104 HD3 PRO 13 1HD PRO 13 4.888 11.021 3.023
105 H CYS 14 HN CYS 14 1.293 7.709 -0.030
106 HA CYS 14 HA CYS 14 3.022 5.500 -0.434
107 HB2 CYS 14 2HB CYS 14 1.253 4.726 -1.966
108 HB3 CYS 14 1HB CYS 14 0.613 5.282 -0.418
109 H LEU 15 HN LEU 15 3.099 8.474 -1.866
110 HA LEU 15 HA LEU 15 3.465 7.954 -4.588
111 HB2 LEU 15 2HB LEU 15 4.330 10.249 -2.849
112 HB3 LEU 15 1HB LEU 15 4.781 10.188 -4.535
113 HG LEU 15 HG LEU 15 2.360 10.165 -5.144
114 HD11 LEU 15 1HD1 LEU 15 1.867 10.713 -2.229
115 HD12 LEU 15 2HD1 LEU 15 1.444 9.235 -3.089
116 HD13 LEU 15 3HD1 LEU 15 0.674 10.761 -3.529
117 HD21 LEU 15 1HD2 LEU 15 1.935 12.522 -4.605
118 HD22 LEU 15 2HD2 LEU 15 3.567 12.238 -5.198
119 HD23 LEU 15 3HD2 LEU 15 3.288 12.489 -3.473
120 H ARG 16 HN ARG 16 5.571 7.542 -1.914
121 HA ARG 16 HA ARG 16 7.828 7.077 -3.649
122 HB2 ARG 16 2HB ARG 16 7.549 6.468 -0.690
123 HB3 ARG 16 1HB ARG 16 9.039 6.388 -1.612
124 HG2 ARG 16 2HG ARG 16 7.453 8.841 -0.894
125 HG3 ARG 16 1HG ARG 16 9.056 8.377 -0.327
126 HD2 ARG 16 2HD ARG 16 8.325 9.109 -3.161
127 HD3 ARG 16 1HD ARG 16 9.158 10.147 -2.012
128 HE ARG 16 HE ARG 16 10.619 7.778 -2.299
129 HH11 ARG 16 1HH1 ARG 16 9.736 10.602 -4.233
130 HH12 ARG 16 2HH1 ARG 16 11.159 10.591 -5.163
131 HH21 ARG 16 1HH2 ARG 16 12.535 7.748 -3.559
132 HH22 ARG 16 2HH2 ARG 16 12.809 8.907 -4.777
133 H ARG 17 HN ARG 17 7.090 5.587 -4.945
134 HA ARG 17 HA ARG 17 5.471 3.381 -4.485
135 HB2 ARG 17 2HB ARG 17 7.635 3.632 -6.558
136 HB3 ARG 17 1HB ARG 17 6.250 2.555 -6.619
137 HG2 ARG 17 2HG ARG 17 4.749 4.430 -6.792
138 HG3 ARG 17 1HG ARG 17 6.094 5.561 -6.620
139 HD2 ARG 17 2HD ARG 17 7.098 4.600 -8.662
140 HD3 ARG 17 1HD ARG 17 5.673 3.579 -8.840
141 HE ARG 17 HE ARG 17 4.732 6.129 -8.648
142 HH11 ARG 17 1HH1 ARG 17 7.017 4.492 -10.794
143 HH12 ARG 17 2HH1 ARG 17 6.584 5.398 -12.168
144 HH21 ARG 17 1HH2 ARG 17 4.149 7.382 -10.559
145 HH22 ARG 17 2HH2 ARG 17 4.948 7.050 -12.034
146 H SER 18 HN SER 18 8.993 3.608 -4.474
147 HA SER 18 HA SER 18 9.519 0.879 -4.208
148 HB2 SER 18 2HB SER 18 11.241 3.185 -3.285
149 HB3 SER 18 1HB SER 18 11.765 1.591 -3.832
150 HG SER 18 HG SER 18 11.715 3.581 -5.333
151 H ASN 19 HN ASN 19 9.175 3.504 -1.835
152 HA ASN 19 HA ASN 19 9.751 1.836 0.408
153 HB2 ASN 19 2HB ASN 19 8.420 4.554 0.306
154 HB3 ASN 19 1HB ASN 19 8.753 3.695 1.802
155 HD21 ASN 19 1HD2 ASN 19 10.923 3.411 2.434
156 HD22 ASN 19 2HD2 ASN 19 12.176 4.430 1.834
157 H CYS 20 HN CYS 20 6.780 2.938 -1.116
158 HA CYS 20 HA CYS 20 4.922 1.902 0.705
159 HB2 CYS 20 2HB CYS 20 4.451 3.487 -1.190
160 HB3 CYS 20 1HB CYS 20 4.677 2.165 -2.313
161 H ALA 21 HN ALA 21 6.433 0.409 -2.157
162 HA ALA 21 HA ALA 21 5.156 -2.085 -1.880
163 HB1 ALA 21 1HB ALA 21 6.197 -1.333 -3.968
164 HB2 ALA 21 2HB ALA 21 6.814 -2.904 -3.453
165 HB3 ALA 21 3HB ALA 21 7.785 -1.451 -3.209
166 H ASN 22 HN ASN 22 8.244 -0.849 -0.667
167 HA ASN 22 HA ASN 22 9.234 -3.247 0.426
168 HB2 ASN 22 2HB ASN 22 10.739 -1.380 0.192
169 HB3 ASN 22 1HB ASN 22 9.729 -0.371 1.216
170 HD21 ASN 22 1HD2 ASN 22 12.039 -2.977 1.164
171 HD22 ASN 22 2HD2 ASN 22 12.404 -2.961 2.847
172 H VAL 23 HN VAL 23 7.285 -0.689 1.913
173 HA VAL 23 HA VAL 23 7.200 -1.905 4.434
174 HB VAL 23 HB VAL 23 5.264 0.099 3.214
175 HG11 VAL 23 1HG1 VAL 23 4.231 -1.130 5.104
176 HG12 VAL 23 2HG1 VAL 23 4.562 0.538 5.543
177 HG13 VAL 23 3HG1 VAL 23 5.642 -0.746 6.079
178 HG21 VAL 23 1HG2 VAL 23 6.507 1.724 4.599
179 HG22 VAL 23 2HG2 VAL 23 7.541 0.942 3.404
180 HG23 VAL 23 3HG2 VAL 23 7.604 0.435 5.091
181 H CYS 24 HN CYS 24 4.988 -2.063 1.669
182 HA CYS 24 HA CYS 24 3.214 -3.801 2.927
183 HB2 CYS 24 2HB CYS 24 3.777 -3.247 0.043
184 HB3 CYS 24 1HB CYS 24 2.533 -4.389 0.546
185 H ARG 25 HN ARG 25 6.210 -4.418 1.267
186 HA ARG 25 HA ARG 25 5.974 -7.202 1.043
187 HB2 ARG 25 2HB ARG 25 7.688 -5.923 -0.150
188 HB3 ARG 25 1HB ARG 25 8.430 -5.465 1.365
189 HG2 ARG 25 2HG ARG 25 9.717 -7.180 0.179
190 HG3 ARG 25 1HG ARG 25 9.152 -7.759 1.742
191 HD2 ARG 25 2HD ARG 25 7.639 -8.316 -0.789
192 HD3 ARG 25 1HD ARG 25 9.003 -9.325 -0.303
193 HE ARG 25 HE ARG 25 7.475 -9.253 1.895
194 HH11 ARG 25 1HH1 ARG 25 6.668 -10.027 -1.460
195 HH12 ARG 25 2HH1 ARG 25 5.485 -11.180 -1.059
196 HH21 ARG 25 1HH2 ARG 25 5.881 -10.808 2.456
197 HH22 ARG 25 2HH2 ARG 25 5.014 -11.643 1.247
198 H THR 26 HN THR 26 7.395 -5.197 3.632
199 HA THR 26 HA THR 26 7.878 -7.476 5.247
200 HB THR 26 HB THR 26 9.259 -5.513 5.632
201 HG1 THR 26 1HG THR 26 9.155 -6.598 7.464
202 HG21 THR 26 1HG2 THR 26 8.402 -3.442 6.625
203 HG22 THR 26 2HG2 THR 26 6.760 -4.090 6.525
204 HG23 THR 26 3HG2 THR 26 7.676 -3.775 5.052
205 H GLU 27 HN GLU 27 5.084 -5.509 4.756
206 HA GLU 27 HA GLU 27 3.541 -6.372 6.978
207 HB2 GLU 27 2HB GLU 27 2.808 -5.331 4.260
208 HB3 GLU 27 1HB GLU 27 1.584 -5.775 5.440
209 HG2 GLU 27 2HG GLU 27 3.736 -3.767 5.990
210 HG3 GLU 27 1HG GLU 27 2.199 -3.340 5.248
211 H GLY 28 HN GLY 28 4.615 -8.042 4.216
212 HA2 GLY 28 2HA GLY 28 4.380 -10.404 4.034
213 HA3 GLY 28 1HA GLY 28 2.842 -10.287 4.880
214 H PHE 29 HN PHE 29 3.477 -7.996 2.384
215 HA PHE 29 HA PHE 29 1.669 -9.462 0.630
216 HB2 PHE 29 2HB PHE 29 1.821 -6.501 1.191
217 HB3 PHE 29 1HB PHE 29 0.822 -7.214 -0.071
218 HD1 PHE 29 1HD PHE 29 0.853 -6.099 3.257
219 HD2 PHE 29 2HD PHE 29 -0.741 -9.125 0.755
220 HE1 PHE 29 1HE PHE 29 -0.964 -6.466 4.878
221 HE2 PHE 29 2HE PHE 29 -2.567 -9.497 2.331
222 HZ PHE 29 HZ PHE 29 -2.688 -8.167 4.419
223 HA PRO 30 HA PRO 30 4.746 -9.283 -2.460
224 HB2 PRO 30 2HB PRO 30 3.279 -9.003 -4.739
225 HB3 PRO 30 1HB PRO 30 3.372 -10.509 -3.820
226 HG2 PRO 30 2HG PRO 30 1.256 -8.394 -3.776
227 HG3 PRO 30 1HG PRO 30 1.070 -10.155 -3.820
228 HD2 PRO 30 2HD PRO 30 0.792 -8.766 -1.544
229 HD3 PRO 30 1HD PRO 30 1.516 -10.383 -1.560
230 H GLY 31 HN GLY 31 2.572 -6.555 -2.253
231 HA2 GLY 31 2HA GLY 31 4.593 -4.694 -2.684
232 HA3 GLY 31 1HA GLY 31 3.746 -4.929 -4.209
233 H GLY 32 HN GLY 32 3.682 -2.467 -3.080
234 HA2 GLY 32 2HA GLY 32 0.884 -2.246 -2.408
235 HA3 GLY 32 1HA GLY 32 2.058 -1.565 -1.278
236 H ARG 33 HN ARG 33 0.031 -0.337 -3.040
237 HA ARG 33 HA ARG 33 1.759 1.682 -4.238
238 HB2 ARG 33 2HB ARG 33 -0.438 0.276 -5.790
239 HB3 ARG 33 1HB ARG 33 0.400 1.715 -6.323
240 HG2 ARG 33 2HG ARG 33 1.677 -0.982 -5.888
241 HG3 ARG 33 1HG ARG 33 1.172 -0.332 -7.446
242 HD2 ARG 33 2HD ARG 33 3.294 0.794 -5.613
243 HD3 ARG 33 1HD ARG 33 3.558 -0.027 -7.150
244 HE ARG 33 HE ARG 33 2.430 2.630 -6.738
245 HH11 ARG 33 1HH1 ARG 33 3.763 0.208 -8.959
246 HH12 ARG 33 2HH1 ARG 33 3.858 1.249 -10.284
247 HH21 ARG 33 1HH2 ARG 33 2.529 4.076 -8.609
248 HH22 ARG 33 2HH2 ARG 33 3.117 3.469 -10.094
249 H CYS 34 HN CYS 34 0.387 3.573 -4.924
250 HA CYS 34 HA CYS 34 -1.380 4.459 -2.950
251 HB2 CYS 34 2HB CYS 34 -0.986 5.401 -5.792
252 HB3 CYS 34 1HB CYS 34 -1.947 6.258 -4.591
253 H ARG 35 HN ARG 35 -3.552 4.506 -2.795
254 HA ARG 35 HA ARG 35 -4.997 2.933 -4.828
255 HB2 ARG 35 2HB ARG 35 -5.025 1.911 -2.593
256 HB3 ARG 35 1HB ARG 35 -5.733 3.371 -1.930
257 HG2 ARG 35 2HG ARG 35 -7.399 1.611 -2.219
258 HG3 ARG 35 1HG ARG 35 -7.756 3.003 -3.241
259 HD2 ARG 35 2HD ARG 35 -6.873 1.873 -5.175
260 HD3 ARG 35 1HD ARG 35 -6.314 0.533 -4.169
261 HE ARG 35 HE ARG 35 -8.931 0.554 -3.669
262 HH11 ARG 35 1HH1 ARG 35 -7.256 0.667 -6.795
263 HH12 ARG 35 2HH1 ARG 35 -8.391 -0.319 -7.581
264 HH21 ARG 35 1HH2 ARG 35 -10.478 -0.753 -4.749
265 HH22 ARG 35 2HH2 ARG 35 -10.306 -1.123 -6.405
266 H GLY 36 HN GLY 36 -5.650 5.488 -2.445
267 HA2 GLY 36 2HA GLY 36 -7.379 6.708 -4.448
268 HA3 GLY 36 1HA GLY 36 -7.578 6.868 -2.706
269 H PHE 37 HN PHE 37 -7.588 9.141 -3.744
270 HA PHE 37 HA PHE 37 -5.086 10.293 -4.442
271 HB2 PHE 37 2HB PHE 37 -7.165 11.168 -5.345
272 HB3 PHE 37 1HB PHE 37 -7.750 11.538 -3.734
273 HD1 PHE 37 1HD PHE 37 -5.310 12.487 -6.331
274 HD2 PHE 37 2HD PHE 37 -7.157 13.538 -2.661
275 HE1 PHE 37 1HE PHE 37 -4.380 14.757 -6.518
276 HE2 PHE 37 2HE PHE 37 -6.252 15.783 -2.816
277 HZ PHE 37 HZ PHE 37 -4.846 16.424 -4.761
278 H ARG 38 HN ARG 38 -6.486 9.530 -1.431
279 HA ARG 38 HA ARG 38 -5.212 11.661 0.017
280 HB2 ARG 38 2HB ARG 38 -6.735 9.253 0.989
281 HB3 ARG 38 1HB ARG 38 -5.955 10.385 2.080
282 HG2 ARG 38 2HG ARG 38 -8.041 11.156 0.048
283 HG3 ARG 38 1HG ARG 38 -8.372 10.859 1.765
284 HD2 ARG 38 2HD ARG 38 -6.623 13.015 0.554
285 HD3 ARG 38 1HD ARG 38 -8.178 13.231 1.340
286 HE ARG 38 HE ARG 38 -6.890 12.178 3.339
287 HH11 ARG 38 1HH1 ARG 38 -5.708 14.660 1.084
288 HH12 ARG 38 2HH1 ARG 38 -4.551 15.271 2.189
289 HH21 ARG 38 1HH2 ARG 38 -5.339 13.076 4.809
290 HH22 ARG 38 2HH2 ARG 38 -4.353 14.385 4.343
291 H ARG 39 HN ARG 39 -3.790 9.363 -1.487
292 HA ARG 39 HA ARG 39 -1.603 8.767 -1.579
293 HB2 ARG 39 2HB ARG 39 -1.251 10.654 0.757
294 HB3 ARG 39 1HB ARG 39 0.017 10.077 -0.314
295 HG2 ARG 39 2HG ARG 39 -0.958 11.260 -2.179
296 HG3 ARG 39 1HG ARG 39 -2.336 11.737 -1.192
297 HD2 ARG 39 2HD ARG 39 -0.773 12.990 0.282
298 HD3 ARG 39 1HD ARG 39 0.534 12.584 -0.829
299 HE ARG 39 HE ARG 39 -1.200 13.694 -2.481
300 HH11 ARG 39 1HH1 ARG 39 -0.074 14.825 0.691
301 HH12 ARG 39 2HH1 ARG 39 -0.263 16.470 0.332
302 HH21 ARG 39 1HH2 ARG 39 -1.477 16.019 -2.961
303 HH22 ARG 39 2HH2 ARG 39 -1.090 17.158 -1.759
304 H ARG 40 HN ARG 40 -3.410 7.206 0.143
305 HA ARG 40 HA ARG 40 -1.593 6.318 2.231
306 HB2 ARG 40 2HB ARG 40 -4.418 5.422 1.617
307 HB3 ARG 40 1HB ARG 40 -3.461 4.857 2.983
308 HG2 ARG 40 2HG ARG 40 -3.372 7.191 3.821
309 HG3 ARG 40 1HG ARG 40 -4.425 7.674 2.493
310 HD2 ARG 40 2HD ARG 40 -5.773 7.383 4.458
311 HD3 ARG 40 1HD ARG 40 -6.125 6.063 3.346
312 HE ARG 40 HE ARG 40 -4.111 5.245 5.094
313 HH11 ARG 40 1HH1 ARG 40 -7.587 6.013 5.226
314 HH12 ARG 40 2HH1 ARG 40 -7.886 5.021 6.577
315 HH21 ARG 40 1HH2 ARG 40 -4.560 3.871 6.961
316 HH22 ARG 40 2HH2 ARG 40 -6.126 3.773 7.575
317 H CYS 41 HN CYS 41 -0.699 4.311 2.323
318 HA CYS 41 HA CYS 41 -0.185 3.129 -0.274
319 HB2 CYS 41 2HB CYS 41 1.679 3.713 1.246
320 HB3 CYS 41 1HB CYS 41 1.045 2.597 2.441
321 H PHE 42 HN PHE 42 -1.421 1.537 -0.951
322 HA PHE 42 HA PHE 42 -2.575 -0.250 1.037
323 HB2 PHE 42 2HB PHE 42 -3.564 0.699 -1.600
324 HB3 PHE 42 1HB PHE 42 -4.084 -0.858 -0.987
325 HD1 PHE 42 1HD PHE 42 -5.906 -0.997 0.427
326 HD2 PHE 42 2HD PHE 42 -3.913 2.740 -0.013
327 HE1 PHE 42 1HE PHE 42 -7.664 0.088 1.732
328 HE2 PHE 42 2HE PHE 42 -5.686 3.829 1.304
329 HZ PHE 42 HZ PHE 42 -7.557 2.501 2.181
330 H CYS 43 HN CYS 43 -1.865 -2.107 1.151
331 HA CYS 43 HA CYS 43 0.076 -3.175 -0.654
332 HB2 CYS 43 2HB CYS 43 -1.269 -4.381 1.755
333 HB3 CYS 43 1HB CYS 43 0.231 -4.918 1.002
334 H THR 44 HN THR 44 -0.446 -4.407 -2.324
335 HA THR 44 HA THR 44 -3.212 -5.207 -2.663
336 HB THR 44 HB THR 44 -0.893 -5.456 -4.595
337 HG1 THR 44 1HG THR 44 -1.961 -3.300 -3.574
338 HG21 THR 44 1HG2 THR 44 -2.904 -6.778 -5.167
339 HG22 THR 44 2HG2 THR 44 -2.685 -5.431 -6.288
340 HG23 THR 44 3HG2 THR 44 -3.895 -5.327 -5.011
341 H THR 45 HN THR 45 -3.892 -7.306 -2.656
342 HA THR 45 HA THR 45 -1.948 -9.437 -2.537
343 HB THR 45 HB THR 45 -2.343 -8.738 -0.199
344 HG1 THR 45 1HG THR 45 -3.667 -11.017 0.127
345 HG21 THR 45 1HG2 THR 45 -4.608 -7.840 -0.403
346 HG22 THR 45 2HG2 THR 45 -4.527 -9.059 0.868
347 HG23 THR 45 3HG2 THR 45 -5.232 -9.465 -0.695
348 H HIS 46 HN HIS 46 -3.207 -11.537 -2.592
349 HA HIS 46 HA HIS 46 -5.601 -11.221 -4.253
350 HB2 HIS 46 2HB HIS 46 -3.507 -13.405 -4.266
351 HB3 HIS 46 1HB HIS 46 -5.047 -13.538 -5.107
352 HD1 HIS 46 1HD HIS 46 -1.687 -11.906 -5.357
353 HD2 HIS 46 2HD HIS 46 -5.327 -11.915 -7.341
354 HE1 HIS 46 1HE HIS 46 -1.273 -10.748 -7.547
355 H CYS 47 HN CYS 47 -7.417 -12.205 -3.618
356 HA CYS 47 HA CYS 47 -7.319 -13.519 -1.049
357 HB2 CYS 47 2HB CYS 47 -9.641 -12.532 -2.717
358 HB3 CYS 47 1HB CYS 47 -9.808 -13.314 -1.149
Start of MODEL 20
1 H1 ARG 1 1HT ARG 1 -11.136 -10.402 -7.945
2 H2 ARG 1 2HT ARG 1 -10.459 -8.996 -7.273
3 H3 ARG 1 3HT ARG 1 -10.803 -10.295 -6.303
4 HA ARG 1 HA ARG 1 -9.177 -11.644 -7.251
5 HB2 ARG 1 2HB ARG 1 -8.603 -9.248 -9.010
6 HB3 ARG 1 1HB ARG 1 -7.502 -10.604 -8.828
7 HG2 ARG 1 2HG ARG 1 -9.207 -12.105 -9.754
8 HG3 ARG 1 1HG ARG 1 -10.300 -10.734 -9.935
9 HD2 ARG 1 2HD ARG 1 -9.182 -11.294 -12.056
10 HD3 ARG 1 1HD ARG 1 -8.765 -9.677 -11.501
11 HE ARG 1 HE ARG 1 -6.874 -11.605 -10.613
12 HH11 ARG 1 1HH1 ARG 1 -7.794 -9.800 -13.520
13 HH12 ARG 1 2HH1 ARG 1 -6.232 -9.790 -14.185
14 HH21 ARG 1 1HH2 ARG 1 -4.706 -11.581 -11.530
15 HH22 ARG 1 2HH2 ARG 1 -4.434 -10.805 -13.019
16 H THR 2 HN THR 2 -8.196 -8.180 -7.184
17 HA THR 2 HA THR 2 -6.373 -8.845 -5.059
18 HB THR 2 HB THR 2 -5.536 -6.502 -5.654
19 HG1 THR 2 1HG THR 2 -6.139 -5.936 -7.829
20 HG21 THR 2 1HG2 THR 2 -4.288 -7.357 -7.602
21 HG22 THR 2 2HG2 THR 2 -5.422 -8.701 -7.736
22 HG23 THR 2 3HG2 THR 2 -4.373 -8.571 -6.326
23 H CYS 3 HN CYS 3 -6.531 -8.027 -3.117
24 HA CYS 3 HA CYS 3 -8.663 -6.148 -2.483
25 HB2 CYS 3 2HB CYS 3 -7.435 -8.412 -0.865
26 HB3 CYS 3 1HB CYS 3 -8.600 -7.247 -0.208
27 H GLN 4 HN GLN 4 -8.038 -4.437 -1.190
28 HA GLN 4 HA GLN 4 -5.131 -4.052 -0.996
29 HB2 GLN 4 2HB GLN 4 -7.326 -2.028 -1.364
30 HB3 GLN 4 1HB GLN 4 -5.621 -1.666 -1.226
31 HG2 GLN 4 2HG GLN 4 -6.863 -3.295 -3.420
32 HG3 GLN 4 1HG GLN 4 -6.468 -1.590 -3.548
33 HE21 GLN 4 1HE2 GLN 4 -5.542 -3.700 -5.150
34 HE22 GLN 4 2HE2 GLN 4 -3.819 -3.741 -5.011
35 H SER 5 HN SER 5 -4.373 -3.775 0.979
36 HA SER 5 HA SER 5 -6.231 -3.017 3.120
37 HB2 SER 5 2HB SER 5 -5.378 -5.307 3.373
38 HB3 SER 5 1HB SER 5 -3.724 -4.718 3.249
39 HG SER 5 HG SER 5 -3.789 -3.992 5.194
40 H GLN 6 HN GLN 6 -5.866 -1.023 3.854
41 HA GLN 6 HA GLN 6 -3.708 0.565 3.065
42 HB2 GLN 6 2HB GLN 6 -4.488 2.159 4.858
43 HB3 GLN 6 1HB GLN 6 -5.722 1.669 3.711
44 HG2 GLN 6 2HG GLN 6 -6.574 0.051 5.359
45 HG3 GLN 6 1HG GLN 6 -5.357 0.614 6.501
46 HE21 GLN 6 1HE2 GLN 6 -8.281 0.643 6.650
47 HE22 GLN 6 2HE2 GLN 6 -8.708 2.282 6.932
48 H SER 7 HN SER 7 -1.714 0.698 3.670
49 HA SER 7 HA SER 7 -0.571 -1.084 5.478
50 HB2 SER 7 2HB SER 7 0.668 1.395 4.341
51 HB3 SER 7 1HB SER 7 1.430 -0.168 4.670
52 HG SER 7 HG SER 7 0.847 -0.768 2.713
53 H HIS 8 HN HIS 8 -0.645 -0.889 7.636
54 HA HIS 8 HA HIS 8 -1.267 1.590 8.948
55 HB2 HIS 8 2HB HIS 8 -2.200 -0.549 9.732
56 HB3 HIS 8 1HB HIS 8 -0.576 -1.120 10.086
57 HD1 HIS 8 1HD HIS 8 0.351 -0.567 12.387
58 HD2 HIS 8 2HD HIS 8 -3.086 1.570 11.449
59 HE1 HIS 8 1HE HIS 8 -0.312 0.640 14.488
60 H ARG 9 HN ARG 9 1.546 -0.523 8.767
61 HA ARG 9 HA ARG 9 3.033 1.366 10.375
62 HB2 ARG 9 2HB ARG 9 4.996 -0.211 10.012
63 HB3 ARG 9 1HB ARG 9 3.644 -0.789 10.966
64 HG2 ARG 9 2HG ARG 9 2.884 -2.161 9.181
65 HG3 ARG 9 1HG ARG 9 4.038 -1.434 8.057
66 HD2 ARG 9 2HD ARG 9 4.673 -3.688 8.961
67 HD3 ARG 9 1HD ARG 9 5.875 -2.413 9.167
68 HE ARG 9 HE ARG 9 4.562 -2.309 11.497
69 HH11 ARG 9 1HH1 ARG 9 5.759 -5.192 9.801
70 HH12 ARG 9 2HH1 ARG 9 6.325 -5.938 11.216
71 HH21 ARG 9 1HH2 ARG 9 5.309 -3.397 13.446
72 HH22 ARG 9 2HH2 ARG 9 6.030 -4.931 13.305
73 H PHE 10 HN PHE 10 2.089 1.844 7.551
74 HA PHE 10 HA PHE 10 4.611 2.569 6.317
75 HB2 PHE 10 2HB PHE 10 2.773 1.706 4.890
76 HB3 PHE 10 1HB PHE 10 1.760 3.055 5.398
77 HD1 PHE 10 1HD PHE 10 4.923 2.226 3.651
78 HD2 PHE 10 2HD PHE 10 1.834 5.083 4.247
79 HE1 PHE 10 1HE PHE 10 5.807 3.563 1.820
80 HE2 PHE 10 2HE PHE 10 2.712 6.426 2.408
81 HZ PHE 10 HZ PHE 10 4.707 5.678 1.184
82 H ARG 11 HN ARG 11 4.827 4.891 5.622
83 HA ARG 11 HA ARG 11 3.565 6.728 7.454
84 HB2 ARG 11 2HB ARG 11 5.642 7.652 8.271
85 HB3 ARG 11 1HB ARG 11 5.636 5.934 8.594
86 HG2 ARG 11 2HG ARG 11 7.096 7.254 6.323
87 HG3 ARG 11 1HG ARG 11 7.855 6.813 7.861
88 HD2 ARG 11 2HD ARG 11 6.708 5.025 5.711
89 HD3 ARG 11 1HD ARG 11 8.398 5.195 6.154
90 HE ARG 11 HE ARG 11 6.389 4.035 7.973
91 HH11 ARG 11 1HH1 ARG 11 9.641 3.988 6.607
92 HH12 ARG 11 2HH1 ARG 11 10.024 2.425 7.137
93 HH21 ARG 11 1HH2 ARG 11 6.876 1.838 8.692
94 HH22 ARG 11 2HH2 ARG 11 8.411 1.172 8.364
95 H GLY 12 HN GLY 12 3.150 8.621 6.491
96 HA2 GLY 12 2HA GLY 12 3.436 10.421 5.090
97 HA3 GLY 12 1HA GLY 12 4.794 9.592 4.339
98 HA PRO 13 HA PRO 13 1.416 9.038 1.364
99 HB2 PRO 13 2HB PRO 13 2.502 10.316 -0.713
100 HB3 PRO 13 1HB PRO 13 1.724 11.199 0.602
101 HG2 PRO 13 2HG PRO 13 4.597 10.922 -0.036
102 HG3 PRO 13 1HG PRO 13 3.759 12.219 0.828
103 HD2 PRO 13 2HD PRO 13 5.214 10.004 1.967
104 HD3 PRO 13 1HD PRO 13 4.328 11.280 2.818
105 H CYS 14 HN CYS 14 1.303 7.675 -0.414
106 HA CYS 14 HA CYS 14 3.245 5.591 -0.603
107 HB2 CYS 14 2HB CYS 14 1.739 4.684 -2.332
108 HB3 CYS 14 1HB CYS 14 0.881 5.145 -0.862
109 H LEU 15 HN LEU 15 3.342 8.580 -1.839
110 HA LEU 15 HA LEU 15 4.174 8.298 -4.509
111 HB2 LEU 15 2HB LEU 15 4.905 10.373 -2.451
112 HB3 LEU 15 1HB LEU 15 5.204 10.518 -4.173
113 HG LEU 15 HG LEU 15 2.461 10.270 -2.948
114 HD11 LEU 15 1HD1 LEU 15 3.528 12.361 -2.293
115 HD12 LEU 15 2HD1 LEU 15 2.219 12.638 -3.440
116 HD13 LEU 15 3HD1 LEU 15 3.893 12.706 -3.983
117 HD21 LEU 15 1HD2 LEU 15 2.580 9.454 -5.238
118 HD22 LEU 15 2HD2 LEU 15 3.366 10.948 -5.742
119 HD23 LEU 15 3HD2 LEU 15 1.702 10.980 -5.168
120 H ARG 16 HN ARG 16 5.722 7.826 -1.475
121 HA ARG 16 HA ARG 16 8.287 7.293 -2.709
122 HB2 ARG 16 2HB ARG 16 8.046 8.338 -0.391
123 HB3 ARG 16 1HB ARG 16 7.368 6.812 0.151
124 HG2 ARG 16 2HG ARG 16 9.677 6.949 0.799
125 HG3 ARG 16 1HG ARG 16 9.479 5.700 -0.427
126 HD2 ARG 16 2HD ARG 16 11.479 7.063 -0.843
127 HD3 ARG 16 1HD ARG 16 10.305 7.224 -2.148
128 HE ARG 16 HE ARG 16 9.933 9.234 -0.228
129 HH11 ARG 16 1HH1 ARG 16 12.154 8.357 -2.856
130 HH12 ARG 16 2HH1 ARG 16 12.682 9.946 -3.124
131 HH21 ARG 16 1HH2 ARG 16 10.617 11.389 -0.619
132 HH22 ARG 16 2HH2 ARG 16 11.780 11.755 -1.806
133 H ARG 17 HN ARG 17 7.140 5.841 -4.107
134 HA ARG 17 HA ARG 17 5.556 3.706 -3.309
135 HB2 ARG 17 2HB ARG 17 5.799 2.847 -5.612
136 HB3 ARG 17 1HB ARG 17 5.356 4.542 -5.529
137 HG2 ARG 17 2HG ARG 17 7.650 5.180 -6.040
138 HG3 ARG 17 1HG ARG 17 8.121 3.480 -6.082
139 HD2 ARG 17 2HD ARG 17 6.535 3.112 -7.925
140 HD3 ARG 17 1HD ARG 17 6.123 4.823 -7.900
141 HE ARG 17 HE ARG 17 8.577 5.162 -8.349
142 HH11 ARG 17 1HH1 ARG 17 6.794 2.341 -9.555
143 HH12 ARG 17 2HH1 ARG 17 7.766 2.127 -10.934
144 HH21 ARG 17 1HH2 ARG 17 9.959 4.828 -10.266
145 HH22 ARG 17 2HH2 ARG 17 9.588 3.524 -11.314
146 H SER 18 HN SER 18 9.017 3.852 -3.607
147 HA SER 18 HA SER 18 9.430 1.067 -3.713
148 HB2 SER 18 2HB SER 18 11.162 2.757 -4.341
149 HB3 SER 18 1HB SER 18 11.294 3.222 -2.650
150 HG SER 18 HG SER 18 12.777 1.759 -2.648
151 H ASN 19 HN ASN 19 9.292 3.413 -1.060
152 HA ASN 19 HA ASN 19 9.718 1.527 1.005
153 HB2 ASN 19 2HB ASN 19 10.041 3.971 1.346
154 HB3 ASN 19 1HB ASN 19 8.314 4.211 1.151
155 HD21 ASN 19 1HD2 ASN 19 10.788 2.878 3.220
156 HD22 ASN 19 2HD2 ASN 19 9.822 2.790 4.646
157 H CYS 20 HN CYS 20 6.838 2.837 -0.503
158 HA CYS 20 HA CYS 20 4.838 1.652 1.042
159 HB2 CYS 20 2HB CYS 20 4.362 3.320 -0.693
160 HB3 CYS 20 1HB CYS 20 4.912 2.214 -1.937
161 H ALA 21 HN ALA 21 6.385 0.360 -1.894
162 HA ALA 21 HA ALA 21 5.072 -2.122 -1.829
163 HB1 ALA 21 1HB ALA 21 6.085 -1.176 -3.855
164 HB2 ALA 21 2HB ALA 21 6.688 -2.797 -3.515
165 HB3 ALA 21 3HB ALA 21 7.685 -1.391 -3.147
166 H ASN 22 HN ASN 22 8.170 -1.046 -0.484
167 HA ASN 22 HA ASN 22 8.948 -3.682 0.252
168 HB2 ASN 22 2HB ASN 22 10.029 -1.011 1.148
169 HB3 ASN 22 1HB ASN 22 10.699 -2.547 1.681
170 HD21 ASN 22 1HD2 ASN 22 10.325 -3.857 -0.929
171 HD22 ASN 22 2HD2 ASN 22 11.500 -3.179 -1.980
172 H VAL 23 HN VAL 23 7.259 -1.136 2.025
173 HA VAL 23 HA VAL 23 7.245 -2.495 4.501
174 HB VAL 23 HB VAL 23 5.230 -0.483 3.383
175 HG11 VAL 23 1HG1 VAL 23 4.157 -1.851 5.121
176 HG12 VAL 23 2HG1 VAL 23 4.423 -0.206 5.695
177 HG13 VAL 23 3HG1 VAL 23 5.491 -1.506 6.220
178 HG21 VAL 23 1HG2 VAL 23 7.463 -0.151 5.391
179 HG22 VAL 23 2HG2 VAL 23 6.328 1.102 4.903
180 HG23 VAL 23 3HG2 VAL 23 7.464 0.436 3.728
181 H CYS 24 HN CYS 24 4.935 -2.397 1.836
182 HA CYS 24 HA CYS 24 3.206 -4.291 2.917
183 HB2 CYS 24 2HB CYS 24 3.704 -3.400 0.094
184 HB3 CYS 24 1HB CYS 24 2.402 -4.507 0.504
185 H ARG 25 HN ARG 25 6.052 -4.701 0.874
186 HA ARG 25 HA ARG 25 5.843 -7.423 0.339
187 HB2 ARG 25 2HB ARG 25 7.519 -5.898 -0.685
188 HB3 ARG 25 1HB ARG 25 8.369 -5.866 0.846
189 HG2 ARG 25 2HG ARG 25 8.881 -8.208 0.696
190 HG3 ARG 25 1HG ARG 25 7.899 -8.368 -0.763
191 HD2 ARG 25 2HD ARG 25 10.396 -6.712 -0.453
192 HD3 ARG 25 1HD ARG 25 10.243 -8.229 -1.345
193 HE ARG 25 HE ARG 25 8.348 -6.515 -2.376
194 HH11 ARG 25 1HH1 ARG 25 11.906 -6.692 -2.262
195 HH12 ARG 25 2HH1 ARG 25 12.121 -5.696 -3.609
196 HH21 ARG 25 1HH2 ARG 25 8.696 -5.141 -4.264
197 HH22 ARG 25 2HH2 ARG 25 10.298 -4.814 -4.753
198 H THR 26 HN THR 26 7.528 -5.790 2.997
199 HA THR 26 HA THR 26 8.346 -8.163 4.236
200 HB THR 26 HB THR 26 8.680 -6.644 6.279
201 HG1 THR 26 1HG THR 26 8.191 -4.559 4.414
202 HG21 THR 26 1HG2 THR 26 10.476 -7.147 4.686
203 HG22 THR 26 2HG2 THR 26 10.566 -5.477 5.259
204 HG23 THR 26 3HG2 THR 26 9.920 -5.823 3.658
205 H GLU 27 HN GLU 27 5.392 -6.307 4.481
206 HA GLU 27 HA GLU 27 4.415 -7.862 6.670
207 HB2 GLU 27 2HB GLU 27 2.999 -5.925 4.842
208 HB3 GLU 27 1HB GLU 27 2.237 -6.708 6.222
209 HG2 GLU 27 2HG GLU 27 4.515 -4.765 6.226
210 HG3 GLU 27 1HG GLU 27 2.889 -4.534 6.872
211 H GLY 28 HN GLY 28 4.965 -8.876 3.640
212 HA2 GLY 28 2HA GLY 28 4.468 -11.081 2.990
213 HA3 GLY 28 1HA GLY 28 3.039 -11.039 4.007
214 H PHE 29 HN PHE 29 3.436 -8.326 1.983
215 HA PHE 29 HA PHE 29 1.263 -9.336 0.334
216 HB2 PHE 29 2HB PHE 29 2.209 -6.546 0.912
217 HB3 PHE 29 1HB PHE 29 0.943 -6.920 -0.256
218 HD1 PHE 29 1HD PHE 29 1.804 -6.651 3.258
219 HD2 PHE 29 2HD PHE 29 -1.127 -7.822 0.464
220 HE1 PHE 29 1HE PHE 29 0.127 -6.651 5.057
221 HE2 PHE 29 2HE PHE 29 -2.835 -7.842 2.230
222 HZ PHE 29 HZ PHE 29 -2.213 -7.243 4.549
223 HA PRO 30 HA PRO 30 3.980 -9.566 -3.202
224 HB2 PRO 30 2HB PRO 30 2.096 -9.427 -5.162
225 HB3 PRO 30 1HB PRO 30 2.424 -10.889 -4.232
226 HG2 PRO 30 2HG PRO 30 0.252 -8.864 -3.870
227 HG3 PRO 30 1HG PRO 30 0.165 -10.632 -3.769
228 HD2 PRO 30 2HD PRO 30 0.259 -9.082 -1.570
229 HD3 PRO 30 1HD PRO 30 1.028 -10.680 -1.628
230 H GLY 31 HN GLY 31 1.923 -6.804 -2.613
231 HA2 GLY 31 2HA GLY 31 3.828 -5.090 -3.819
232 HA3 GLY 31 1HA GLY 31 2.412 -5.260 -4.844
233 H GLY 32 HN GLY 32 2.801 -2.817 -4.129
234 HA2 GLY 32 2HA GLY 32 0.643 -2.268 -2.272
235 HA3 GLY 32 1HA GLY 32 2.219 -1.558 -1.912
236 H ARG 33 HN ARG 33 -0.482 -0.470 -2.908
237 HA ARG 33 HA ARG 33 0.670 1.250 -4.962
238 HB2 ARG 33 2HB ARG 33 -1.778 -0.443 -5.382
239 HB3 ARG 33 1HB ARG 33 -1.540 1.049 -6.275
240 HG2 ARG 33 2HG ARG 33 0.397 -1.254 -6.264
241 HG3 ARG 33 1HG ARG 33 -0.834 -0.989 -7.506
242 HD2 ARG 33 2HD ARG 33 0.154 1.119 -8.091
243 HD3 ARG 33 1HD ARG 33 1.331 0.995 -6.785
244 HE ARG 33 HE ARG 33 1.648 -1.229 -8.337
245 HH11 ARG 33 1HH1 ARG 33 1.864 2.282 -8.819
246 HH12 ARG 33 2HH1 ARG 33 3.095 2.199 -9.986
247 HH21 ARG 33 1HH2 ARG 33 3.359 -1.349 -9.945
248 HH22 ARG 33 2HH2 ARG 33 3.937 0.082 -10.653
249 H CYS 34 HN CYS 34 -0.741 3.050 -5.540
250 HA CYS 34 HA CYS 34 -1.851 4.284 -3.167
251 HB2 CYS 34 2HB CYS 34 -1.443 5.334 -5.971
252 HB3 CYS 34 1HB CYS 34 -1.919 6.283 -4.571
253 H ARG 35 HN ARG 35 -3.998 4.760 -2.923
254 HA ARG 35 HA ARG 35 -5.745 4.118 -5.206
255 HB2 ARG 35 2HB ARG 35 -6.487 3.666 -2.311
256 HB3 ARG 35 1HB ARG 35 -7.490 3.319 -3.708
257 HG2 ARG 35 2HG ARG 35 -5.841 1.640 -4.431
258 HG3 ARG 35 1HG ARG 35 -4.916 1.961 -2.965
259 HD2 ARG 35 2HD ARG 35 -6.185 0.088 -2.421
260 HD3 ARG 35 1HD ARG 35 -7.064 1.428 -1.706
261 HE ARG 35 HE ARG 35 -7.964 0.790 -4.331
262 HH11 ARG 35 1HH1 ARG 35 -8.385 -0.006 -0.892
263 HH12 ARG 35 2HH1 ARG 35 -9.804 -0.917 -1.131
264 HH21 ARG 35 1HH2 ARG 35 -9.968 -0.442 -4.627
265 HH22 ARG 35 2HH2 ARG 35 -10.727 -1.138 -3.286
266 H GLY 36 HN GLY 36 -5.806 5.831 -2.070
267 HA2 GLY 36 2HA GLY 36 -7.893 7.520 -3.060
268 HA3 GLY 36 1HA GLY 36 -7.185 7.574 -1.458
269 H PHE 37 HN PHE 37 -7.777 9.839 -2.609
270 HA PHE 37 HA PHE 37 -5.764 10.969 -4.268
271 HB2 PHE 37 2HB PHE 37 -8.103 11.740 -4.336
272 HB3 PHE 37 1HB PHE 37 -7.959 12.334 -2.689
273 HD1 PHE 37 1HD PHE 37 -6.637 12.780 -6.126
274 HD2 PHE 37 2HD PHE 37 -7.165 14.510 -2.272
275 HE1 PHE 37 1HE PHE 37 -5.867 14.945 -6.994
276 HE2 PHE 37 2HE PHE 37 -6.395 16.674 -3.132
277 HZ PHE 37 HZ PHE 37 -5.743 16.900 -5.489
278 H ARG 38 HN ARG 38 -6.021 10.569 -0.861
279 HA ARG 38 HA ARG 38 -4.150 12.714 -0.347
280 HB2 ARG 38 2HB ARG 38 -5.205 10.617 1.558
281 HB3 ARG 38 1HB ARG 38 -4.149 11.941 2.016
282 HG2 ARG 38 2HG ARG 38 -5.943 13.501 1.157
283 HG3 ARG 38 1HG ARG 38 -7.000 12.092 1.070
284 HD2 ARG 38 2HD ARG 38 -7.357 13.206 3.177
285 HD3 ARG 38 1HD ARG 38 -6.538 11.670 3.477
286 HE ARG 38 HE ARG 38 -4.659 13.752 3.145
287 HH11 ARG 38 1HH1 ARG 38 -6.876 12.441 5.587
288 HH12 ARG 38 2HH1 ARG 38 -6.036 13.130 6.901
289 HH21 ARG 38 1HH2 ARG 38 -3.520 14.623 4.905
290 HH22 ARG 38 2HH2 ARG 38 -4.063 14.399 6.511
291 H ARG 39 HN ARG 39 -3.779 9.915 -1.744
292 HA ARG 39 HA ARG 39 -2.018 8.678 -2.372
293 HB2 ARG 39 2HB ARG 39 -0.477 10.920 -1.074
294 HB3 ARG 39 1HB ARG 39 0.339 9.517 -1.721
295 HG2 ARG 39 2HG ARG 39 0.493 11.254 -3.326
296 HG3 ARG 39 1HG ARG 39 -0.645 10.074 -3.951
297 HD2 ARG 39 2HD ARG 39 -2.498 11.516 -3.377
298 HD3 ARG 39 1HD ARG 39 -1.406 12.650 -2.576
299 HE ARG 39 HE ARG 39 -0.423 12.447 -5.111
300 HH11 ARG 39 1HH1 ARG 39 -3.597 13.369 -3.853
301 HH12 ARG 39 2HH1 ARG 39 -3.921 14.460 -5.117
302 HH21 ARG 39 1HH2 ARG 39 -0.864 13.873 -6.801
303 HH22 ARG 39 2HH2 ARG 39 -2.346 14.737 -6.877
304 H ARG 40 HN ARG 40 -3.303 7.599 -0.249
305 HA ARG 40 HA ARG 40 -1.185 6.827 1.587
306 HB2 ARG 40 2HB ARG 40 -4.091 5.998 1.533
307 HB3 ARG 40 1HB ARG 40 -2.927 5.453 2.729
308 HG2 ARG 40 2HG ARG 40 -3.802 8.300 2.277
309 HG3 ARG 40 1HG ARG 40 -4.288 7.252 3.610
310 HD2 ARG 40 2HD ARG 40 -1.980 7.168 4.399
311 HD3 ARG 40 1HD ARG 40 -1.458 8.155 3.032
312 HE ARG 40 HE ARG 40 -3.525 9.366 4.527
313 HH11 ARG 40 1HH1 ARG 40 0.023 8.865 4.568
314 HH12 ARG 40 2HH1 ARG 40 0.309 10.303 5.415
315 HH21 ARG 40 1HH2 ARG 40 -3.075 11.279 5.678
316 HH22 ARG 40 2HH2 ARG 40 -1.476 11.715 6.093
317 H CYS 41 HN CYS 41 -0.554 4.714 1.963
318 HA CYS 41 HA CYS 41 -0.238 3.241 -0.518
319 HB2 CYS 41 2HB CYS 41 1.774 3.764 0.780
320 HB3 CYS 41 1HB CYS 41 1.087 2.993 2.196
321 H PHE 42 HN PHE 42 -1.164 1.350 -0.893
322 HA PHE 42 HA PHE 42 -2.518 0.006 1.307
323 HB2 PHE 42 2HB PHE 42 -3.451 0.422 -1.526
324 HB3 PHE 42 1HB PHE 42 -4.090 -0.822 -0.460
325 HD1 PHE 42 1HD PHE 42 -5.860 -0.355 0.931
326 HD2 PHE 42 2HD PHE 42 -3.613 2.860 -0.701
327 HE1 PHE 42 1HE PHE 42 -7.510 1.231 1.810
328 HE2 PHE 42 2HE PHE 42 -5.263 4.461 0.178
329 HZ PHE 42 HZ PHE 42 -7.217 3.640 1.437
330 H CYS 43 HN CYS 43 -1.898 -1.933 1.578
331 HA CYS 43 HA CYS 43 0.010 -3.167 -0.144
332 HB2 CYS 43 2HB CYS 43 -1.387 -4.102 2.354
333 HB3 CYS 43 1HB CYS 43 -0.085 -4.966 1.547
334 H THR 44 HN THR 44 -0.483 -4.384 -1.770
335 HA THR 44 HA THR 44 -3.199 -5.124 -2.347
336 HB THR 44 HB THR 44 -0.639 -5.649 -3.851
337 HG1 THR 44 1HG THR 44 -2.135 -3.370 -3.454
338 HG21 THR 44 1HG2 THR 44 -3.529 -5.578 -4.755
339 HG22 THR 44 2HG2 THR 44 -2.533 -7.026 -4.602
340 HG23 THR 44 3HG2 THR 44 -2.138 -5.806 -5.814
341 H THR 45 HN THR 45 -3.994 -7.108 -1.939
342 HA THR 45 HA THR 45 -2.171 -9.369 -1.885
343 HB THR 45 HB THR 45 -2.746 -8.843 0.491
344 HG1 THR 45 1HG THR 45 -2.575 -10.907 0.557
345 HG21 THR 45 1HG2 THR 45 -4.919 -7.762 0.130
346 HG22 THR 45 2HG2 THR 45 -5.046 -9.089 1.290
347 HG23 THR 45 3HG2 THR 45 -5.595 -9.313 -0.371
348 H HIS 46 HN HIS 46 -3.437 -11.358 -2.262
349 HA HIS 46 HA HIS 46 -5.593 -10.783 -4.161
350 HB2 HIS 46 2HB HIS 46 -3.760 -13.175 -3.901
351 HB3 HIS 46 1HB HIS 46 -5.165 -13.149 -4.953
352 HD1 HIS 46 1HD HIS 46 -4.761 -12.290 -7.275
353 HD2 HIS 46 2HD HIS 46 -1.761 -11.191 -4.630
354 HE1 HIS 46 1HE HIS 46 -2.967 -11.196 -8.677
355 H CYS 47 HN CYS 47 -7.590 -11.534 -3.764
356 HA CYS 47 HA CYS 47 -7.855 -13.076 -1.350
357 HB2 CYS 47 2HB CYS 47 -9.857 -11.382 -2.836
358 HB3 CYS 47 1HB CYS 47 -10.336 -12.475 -1.540