NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
1694 |
1atx   |
1206 | cing | 1-original | 6 | MR format | nomenclature mapping |
Start of MODEL 1
Raw file had 401 H/Q atoms
Entry Orig Data
1 1H GLY 1 2HN GLY 1 -0.313 0.307 -0.915
2 2H GLY 1 3HN GLY 1 -0.362 -0.933 0.181
3 3H GLY 1 1HN GLY 1 -0.244 0.632 0.707
4 1HA GLY 1 1HA GLY 1 1.917 -0.078 0.945
5 2HA GLY 1 2HA GLY 1 1.772 -1.050 -0.547
6 QA GLY 1 QA GLY 1 1.845 -0.564 0.199
7 H ALA 2 HN ALA 2 3.936 0.701 -0.382
8 HA ALA 2 HA ALA 2 3.217 2.815 -2.374
9 1HB ALA 2 3HB ALA 2 4.168 3.760 -0.302
10 2HB ALA 2 1HB ALA 2 5.579 2.701 -0.446
11 3HB ALA 2 2HB ALA 2 5.283 3.948 -1.667
12 QB ALA 2 QB ALA 2 5.010 3.470 -0.805
13 H ALA 3 HN ALA 3 5.241 3.165 -3.837
14 HA ALA 3 HA ALA 3 5.834 0.651 -5.157
15 1HB ALA 3 3HB ALA 3 6.309 3.557 -5.718
16 2HB ALA 3 1HB ALA 3 7.305 2.346 -6.536
17 3HB ALA 3 2HB ALA 3 5.544 2.298 -6.715
18 QB ALA 3 QB ALA 3 6.386 2.734 -6.323
19 H CYS 4 HN CYS 4 7.973 -0.231 -5.451
20 HA CYS 4 HA CYS 4 10.230 0.868 -3.879
21 2HB CYS 4 2HB CYS 4 10.565 -1.040 -2.641
22 3HB CYS 4 3HB CYS 4 8.800 -1.021 -2.674
23 QB CYS 4 QB CYS 4 9.682 -1.031 -2.658
24 H LEU 5 HN LEU 5 12.229 -0.112 -4.343
25 HA LEU 5 HA LEU 5 12.796 -0.724 -7.118
26 2HB LEU 5 2HB LEU 5 14.467 -0.983 -4.590
27 3HB LEU 5 3HB LEU 5 15.078 -1.144 -6.242
28 HG LEU 5 HG LEU 5 13.783 1.395 -5.144
29 1HD1 LEU 5 3HD1 LEU 5 16.652 0.441 -5.191
30 2HD1 LEU 5 1HD1 LEU 5 16.254 2.165 -5.207
31 3HD1 LEU 5 2HD1 LEU 5 15.718 1.147 -3.854
32 1HD2 LEU 5 2HD2 LEU 5 13.767 1.161 -7.667
33 2HD2 LEU 5 3HD2 LEU 5 14.760 2.494 -7.084
34 3HD2 LEU 5 1HD2 LEU 5 15.533 0.987 -7.615
35 QB LEU 5 QB LEU 5 14.773 -1.064 -5.416
36 QD1 LEU 5 QD1 LEU 5 16.208 1.251 -4.751
37 QD2 LEU 5 QD2 LEU 5 14.687 1.547 -7.455
38 QQD LEU 5 QQD LEU 5 15.447 1.399 -6.103
39 H CYS 6 HN CYS 6 12.581 -2.623 -8.015
40 HA CYS 6 HA CYS 6 11.944 -5.025 -6.474
41 2HB CYS 6 2HB CYS 6 11.499 -3.940 -9.199
42 3HB CYS 6 3HB CYS 6 12.078 -5.592 -9.235
43 QB CYS 6 QB CYS 6 11.788 -4.766 -9.217
44 H LYS 7 HN LYS 7 13.112 -6.868 -6.681
45 HA LYS 7 HA LYS 7 15.864 -6.781 -6.333
46 2HB LYS 7 2HB LYS 7 14.588 -8.641 -5.544
47 3HB LYS 7 3HB LYS 7 14.087 -9.092 -7.179
48 1HG LYS 7 2HG LYS 7 16.489 -9.712 -7.725
49 2HG LYS 7 3HG LYS 7 16.949 -9.083 -6.146
50 1HD LYS 7 2HD LYS 7 17.084 -11.345 -5.896
51 2HD LYS 7 3HD LYS 7 15.586 -10.960 -5.095
52 2HE LYS 7 2HE LYS 7 15.971 -12.193 -7.873
53 3HE LYS 7 3HE LYS 7 15.407 -13.020 -6.415
54 1HZ LYS 7 1HZ LYS 7 13.475 -11.577 -6.457
55 2HZ LYS 7 2HZ LYS 7 13.975 -10.917 -7.864
56 3HZ LYS 7 3HZ LYS 7 13.585 -12.502 -7.798
57 QB LYS 7 QB LYS 7 14.337 -8.866 -6.361
58 QG LYS 7 QG LYS 7 16.719 -9.398 -6.936
59 QD LYS 7 QD LYS 7 16.335 -11.153 -5.496
60 QE LYS 7 QE LYS 7 15.689 -12.606 -7.144
61 QZ LYS 7 QZ LYS 7 13.486 -12.028 -7.139
62 H SER 8 HN SER 8 14.118 -7.072 -9.386
63 HA SER 8 HA SER 8 16.107 -8.156 -11.074
64 2HB SER 8 2HB SER 8 14.843 -6.800 -12.814
65 3HB SER 8 3HB SER 8 13.851 -7.886 -11.825
66 HG SER 8 HG SER 8 14.078 -5.082 -11.640
67 QB SER 8 QB SER 8 14.347 -7.343 -12.319
68 H ASP 9 HN ASP 9 15.659 -4.930 -9.638
69 HA ASP 9 HA ASP 9 18.076 -3.890 -11.005
70 2HB ASP 9 2HB ASP 9 15.605 -2.868 -10.886
71 3HB ASP 9 3HB ASP 9 16.127 -2.304 -9.301
72 QB ASP 9 QB ASP 9 15.866 -2.586 -10.094
73 H GLY 10 HN GLY 10 19.836 -4.388 -9.705
74 1HA GLY 10 1HA GLY 10 19.512 -4.903 -6.838
75 2HA GLY 10 2HA GLY 10 20.985 -5.017 -7.788
76 QA GLY 10 QA GLY 10 20.249 -4.960 -7.313
77 HA PRO 11 HA PRO 11 21.575 -1.087 -5.454
78 2HB PRO 11 2HB PRO 11 24.273 -0.857 -5.642
79 3HB PRO 11 3HB PRO 11 23.487 -2.049 -4.574
80 1HG PRO 11 2HG PRO 11 24.618 -2.522 -7.341
81 2HG PRO 11 3HG PRO 11 24.883 -3.497 -5.865
82 1HD PRO 11 2HD PRO 11 23.021 -4.124 -7.785
83 2HD PRO 11 3HD PRO 11 22.755 -4.502 -6.054
84 QB PRO 11 QB PRO 11 23.880 -1.453 -5.108
85 QG PRO 11 QG PRO 11 24.750 -3.010 -6.603
86 QD PRO 11 QD PRO 11 22.888 -4.313 -6.919
87 H ASN 12 HN ASN 12 20.261 -0.409 -7.398
88 HA ASN 12 HA ASN 12 21.880 1.069 -9.431
89 2HB ASN 12 2HB ASN 12 20.186 -0.912 -9.959
90 3HB ASN 12 3HB ASN 12 18.981 0.373 -9.809
91 1HD2 ASN 12 2HD2 ASN 12 21.391 -1.096 -11.812
92 2HD2 ASN 12 1HD2 ASN 12 21.402 0.105 -13.097
93 QB ASN 12 QB ASN 12 19.583 -0.269 -9.884
94 QD2 ASN 12 QD2 ASN 12 21.396 -0.495 -12.455
95 H THR 13 HN THR 13 20.029 2.826 -10.406
96 HA THR 13 HA THR 13 20.265 4.869 -8.444
97 HB THR 13 HB THR 13 20.416 5.240 -10.871
98 HG1 THR 13 HG1 THR 13 19.333 7.189 -10.774
99 1HG2 THR 13 3HG2 THR 13 18.548 3.788 -11.658
100 2HG2 THR 13 2HG2 THR 13 17.375 4.891 -10.916
101 3HG2 THR 13 1HG2 THR 13 18.385 5.446 -12.256
102 QG2 THR 13 QG2 THR 13 18.103 4.708 -11.610
103 NH1 ARG 14 NH1 ARG 14 12.432 7.042 -5.995
104 NH2 ARG 14 NH2 ARG 14 13.824 8.255 -4.610
105 H ARG 14 HN ARG 14 18.737 5.889 -7.155
106 HA ARG 14 HA ARG 14 16.416 4.312 -6.422
107 2HB ARG 14 2HB ARG 14 18.120 5.896 -5.040
108 3HB ARG 14 3HB ARG 14 16.819 7.054 -5.219
109 1HG ARG 14 2HG ARG 14 16.339 4.198 -4.242
110 2HG ARG 14 3HG ARG 14 17.034 5.400 -3.185
111 1HD ARG 14 2HD ARG 14 14.574 5.037 -2.931
112 2HD ARG 14 3HD ARG 14 15.119 6.689 -3.042
113 HE ARG 14 HE ARG 14 13.758 5.078 -5.196
114 1HH1 ARG 14 1HH1 ARG 14 11.984 7.890 -6.277
115 2HH1 ARG 14 2HH1 ARG 14 12.130 6.167 -6.374
116 1HH2 ARG 14 2HH2 ARG 14 14.571 8.293 -3.946
117 2HH2 ARG 14 1HH2 ARG 14 13.369 9.097 -4.899
118 QB ARG 14 QB ARG 14 17.469 6.475 -5.129
No match found for entry QG ARG 14
119 QD ARG 14 QD ARG 14 14.847 5.863 -2.987
120 QH1 ARG 14 QH1 ARG 14 12.057 7.029 -6.325
121 QH2 ARG 14 QH2 ARG 14 13.970 8.695 -4.422
122 H GLY 15 HN GLY 15 15.665 4.478 -8.699
123 1HA GLY 15 1HA GLY 15 13.178 5.528 -8.886
124 2HA GLY 15 2HA GLY 15 14.149 6.925 -9.387
125 QA GLY 15 QA GLY 15 13.664 6.227 -9.137
126 H ASN 16 HN ASN 16 14.547 3.406 -9.990
127 HA ASN 16 HA ASN 16 14.018 3.839 -12.899
128 2HB ASN 16 2HB ASN 16 16.380 3.526 -12.625
129 3HB ASN 16 3HB ASN 16 16.163 2.070 -11.650
130 1HD2 ASN 16 2HD2 ASN 16 17.220 2.949 -14.565
131 2HD2 ASN 16 1HD2 ASN 16 16.575 1.646 -15.555
132 QB ASN 16 QB ASN 16 16.271 2.798 -12.137
133 QD2 ASN 16 QD2 ASN 16 16.897 2.297 -15.060
134 H SER 17 HN SER 17 14.645 0.792 -11.155
135 HA SER 17 HA SER 17 12.126 -0.270 -11.995
136 2HB SER 17 2HB SER 17 14.306 -1.374 -11.770
137 3HB SER 17 3HB SER 17 14.195 -1.209 -9.999
138 HG SER 17 HG SER 17 13.527 -3.249 -10.524
139 QB SER 17 QB SER 17 14.250 -1.291 -10.884
140 H MET 18 HN MET 18 11.844 2.127 -10.088
141 HA MET 18 HA MET 18 11.096 0.953 -7.590
142 2HB MET 18 2HB MET 18 12.173 3.324 -8.175
143 3HB MET 18 3HB MET 18 10.483 3.830 -8.127
144 1HG MET 18 2HG MET 18 10.701 2.239 -5.875
145 2HG MET 18 3HG MET 18 12.327 2.942 -6.018
146 1HE MET 18 1HE MET 18 12.158 4.029 -3.665
147 2HE MET 18 2HE MET 18 10.778 5.006 -3.109
148 3HE MET 18 3HE MET 18 10.560 3.274 -3.433
149 QB MET 18 QB MET 18 11.328 3.577 -8.151
150 QG MET 18 QG MET 18 11.514 2.591 -5.946
151 QE MET 18 QE MET 18 11.165 4.103 -3.402
152 H SER 19 HN SER 19 9.509 -0.476 -8.710
153 HA SER 19 HA SER 19 6.793 0.794 -8.912
154 2HB SER 19 2HB SER 19 6.355 -0.442 -10.991
155 3HB SER 19 3HB SER 19 7.664 0.738 -11.184
156 HG SER 19 HG SER 19 9.155 -0.985 -10.886
157 QB SER 19 QB SER 19 7.010 0.148 -11.087
158 H GLY 20 HN GLY 20 8.585 -1.633 -7.406
159 1HA GLY 20 1HA GLY 20 6.518 -3.735 -7.471
160 2HA GLY 20 2HA GLY 20 7.920 -3.620 -6.399
161 QA GLY 20 QA GLY 20 7.219 -3.678 -6.935
162 H THR 21 HN THR 21 4.708 -3.776 -6.105
163 HA THR 21 HA THR 21 4.219 -1.447 -4.368
164 HB THR 21 HB THR 21 2.611 -3.915 -4.997
165 HG1 THR 21 HG1 THR 21 2.410 -1.215 -5.903
166 1HG2 THR 21 1HG2 THR 21 1.656 -1.384 -3.626
167 2HG2 THR 21 3HG2 THR 21 0.637 -2.705 -4.235
168 3HG2 THR 21 2HG2 THR 21 1.761 -3.020 -2.907
169 QG2 THR 21 QG2 THR 21 1.351 -2.370 -3.589
170 H ILE 22 HN ILE 22 4.685 -1.486 -2.215
171 HA ILE 22 HA ILE 22 5.964 -3.739 -0.955
172 HB ILE 22 HB ILE 22 4.889 -1.120 0.082
173 2HG1 ILE 22 2HG1 ILE 22 7.778 -1.985 -0.105
174 3HG1 ILE 22 3HG1 ILE 22 6.961 -1.396 -1.550
175 1HG2 ILE 22 3HG2 ILE 22 6.503 -3.274 1.529
176 2HG2 ILE 22 1HG2 ILE 22 6.308 -1.618 2.127
177 3HG2 ILE 22 2HG2 ILE 22 4.898 -2.668 1.983
178 1HD1 ILE 22 2HD1 ILE 22 7.000 0.258 0.993
179 2HD1 ILE 22 3HD1 ILE 22 8.237 0.371 -0.279
180 3HD1 ILE 22 1HD1 ILE 22 6.554 0.728 -0.660
181 QG1 ILE 22 QG1 ILE 22 7.370 -1.691 -0.827
182 QG2 ILE 22 QG2 ILE 22 5.903 -2.520 1.880
183 QD1 ILE 22 QD1 ILE 22 7.264 0.452 0.018
184 CH2 TRP 23 CH2 TRP 23 -1.779 -5.335 -2.677
185 H TRP 23 HN TRP 23 4.990 -5.518 -0.075
186 HA TRP 23 HA TRP 23 2.182 -5.307 0.927
187 2HB TRP 23 2HB TRP 23 3.629 -7.666 -0.327
188 3HB TRP 23 3HB TRP 23 2.043 -7.718 0.442
189 HD1 TRP 23 HD1 TRP 23 3.759 -6.691 -2.754
190 HE1 TRP 23 HE1 TRP 23 2.072 -5.921 -4.502
191 HE3 TRP 23 HE3 TRP 23 -0.407 -6.558 0.202
192 HZ2 TRP 23 HZ2 TRP 23 -0.726 -5.098 -4.546
193 HZ3 TRP 23 HZ3 TRP 23 -2.556 -5.726 -0.703
194 HH2 TRP 23 HH2 TRP 23 -2.717 -4.956 -3.056
195 QB TRP 23 QB TRP 23 2.836 -7.692 0.058
196 H VAL 24 HN VAL 24 1.817 -6.362 2.907
197 HA VAL 24 HA VAL 24 4.082 -6.030 4.679
198 HB VAL 24 HB VAL 24 1.305 -7.144 5.282
199 1HG1 VAL 24 1HG1 VAL 24 3.010 -7.620 7.021
200 2HG1 VAL 24 2HG1 VAL 24 3.421 -5.899 7.096
201 3HG1 VAL 24 3HG1 VAL 24 1.807 -6.455 7.586
202 1HG2 VAL 24 2HG2 VAL 24 2.382 -4.294 5.457
203 2HG2 VAL 24 3HG2 VAL 24 1.132 -4.860 4.329
204 3HG2 VAL 24 1HG2 VAL 24 0.810 -4.846 6.065
205 QG1 VAL 24 QG1 VAL 24 2.746 -6.658 7.234
206 QG2 VAL 24 QG2 VAL 24 1.441 -4.667 5.284
207 QQG VAL 24 QQG VAL 24 2.094 -5.662 6.259
208 H PHE 25 HN PHE 25 1.971 -8.923 4.602
209 HA PHE 25 HA PHE 25 4.333 -10.692 4.205
210 2HB PHE 25 2HB PHE 25 2.249 -10.889 6.384
211 3HB PHE 25 3HB PHE 25 3.571 -12.039 6.135
212 HD1 PHE 25 HD1 PHE 25 2.632 -10.109 8.593
213 HD2 PHE 25 HD2 PHE 25 5.908 -10.160 5.789
214 HE1 PHE 25 HE1 PHE 25 3.952 -8.646 10.092
215 HE2 PHE 25 HE2 PHE 25 7.210 -8.691 7.283
216 HZ PHE 25 HZ PHE 25 6.226 -7.896 9.422
217 QB PHE 25 QB PHE 25 2.910 -11.464 6.260
218 QB PHE 25 QB PHE 25 2.910 -11.464 6.260
219 H GLY 26 HN GLY 26 2.679 -10.200 2.123
220 1HA GLY 26 1HA GLY 26 1.672 -12.729 1.407
221 2HA GLY 26 2HA GLY 26 0.316 -11.827 2.100
222 QA GLY 26 QA GLY 26 0.994 -12.278 1.753
223 H CYS 27 HN CYS 27 2.388 -12.195 -0.689
224 HA CYS 27 HA CYS 27 1.520 -9.805 -2.040
225 2HB CYS 27 2HB CYS 27 3.643 -10.653 -2.485
226 3HB CYS 27 3HB CYS 27 3.059 -12.277 -2.888
227 QB CYS 27 QB CYS 27 3.351 -11.465 -2.687
228 HA PRO 28 HA PRO 28 -2.297 -11.768 -3.326
229 2HB PRO 28 2HB PRO 28 -2.938 -9.972 -5.476
230 3HB PRO 28 3HB PRO 28 -3.509 -9.924 -3.792
231 1HG PRO 28 2HG PRO 28 -1.681 -8.083 -5.032
232 2HG PRO 28 3HG PRO 28 -2.198 -8.149 -3.333
233 1HD PRO 28 2HD PRO 28 0.318 -9.082 -4.560
234 2HD PRO 28 3HD PRO 28 -0.065 -8.697 -2.860
235 QB PRO 28 QB PRO 28 -3.224 -9.948 -4.634
236 QG PRO 28 QG PRO 28 -1.939 -8.116 -4.182
237 QD PRO 28 QD PRO 28 0.126 -8.889 -3.710
238 H SER 29 HN SER 29 -3.280 -13.002 -5.064
239 HA SER 29 HA SER 29 -1.444 -14.388 -6.719
240 2HB SER 29 2HB SER 29 -3.595 -15.318 -5.966
241 3HB SER 29 3HB SER 29 -4.476 -14.170 -6.999
242 HG SER 29 HG SER 29 -3.681 -15.219 -8.784
243 QB SER 29 QB SER 29 -4.036 -14.744 -6.483
244 H GLY 30 HN GLY 30 -0.814 -14.137 -8.830
245 1HA GLY 30 1HA GLY 30 -0.966 -13.315 -11.049
246 2HA GLY 30 2HA GLY 30 -1.955 -11.954 -10.515
247 QA GLY 30 QA GLY 30 -1.461 -12.635 -10.782
248 CH2 TRP 31 CH2 TRP 31 0.612 -4.390 -7.224
249 H TRP 31 HN TRP 31 0.111 -11.705 -8.136
250 HA TRP 31 HA TRP 31 1.860 -9.793 -9.546
251 2HB TRP 31 2HB TRP 31 1.170 -10.426 -6.716
252 3HB TRP 31 3HB TRP 31 2.444 -9.288 -7.145
253 HD1 TRP 31 HD1 TRP 31 -1.366 -9.690 -7.913
254 HE1 TRP 31 HE1 TRP 31 -2.426 -7.373 -7.819
255 HE3 TRP 31 HE3 TRP 31 2.806 -6.992 -6.908
256 HZ2 TRP 31 HZ2 TRP 31 -1.514 -4.592 -7.295
257 HZ3 TRP 31 HZ3 TRP 31 2.764 -4.496 -7.200
258 HH2 TRP 31 HH2 TRP 31 0.570 -3.312 -7.236
259 QB TRP 31 QB TRP 31 1.807 -9.857 -6.931
260 H ASN 32 HN ASN 32 4.187 -9.743 -8.616
261 HA ASN 32 HA ASN 32 5.432 -12.452 -8.667
262 2HB ASN 32 2HB ASN 32 5.311 -11.255 -10.915
263 3HB ASN 32 3HB ASN 32 6.372 -10.020 -10.230
264 1HD2 ASN 32 1HD2 ASN 32 6.090 -13.547 -10.887
265 2HD2 ASN 32 2HD2 ASN 32 7.817 -13.809 -11.064
266 QB ASN 32 QB ASN 32 5.841 -10.637 -10.573
267 QD2 ASN 32 QD2 ASN 32 6.953 -13.678 -10.976
268 H ASN 33 HN ASN 33 6.856 -12.706 -7.061
269 HA ASN 33 HA ASN 33 7.004 -10.975 -4.848
270 2HB ASN 33 2HB ASN 33 8.432 -13.496 -5.715
271 3HB ASN 33 3HB ASN 33 8.948 -12.646 -4.264
272 1HD2 ASN 33 1HD2 ASN 33 5.152 -14.250 -4.097
273 2HD2 ASN 33 2HD2 ASN 33 5.621 -13.507 -5.606
274 QB ASN 33 QB ASN 33 8.690 -13.071 -4.990
275 QD2 ASN 33 QD2 ASN 33 5.386 -13.878 -4.852
276 H CYS 34 HN CYS 34 8.410 -9.300 -4.160
277 HA CYS 34 HA CYS 34 11.085 -9.171 -5.486
278 2HB CYS 34 2HB CYS 34 8.917 -7.182 -5.803
279 3HB CYS 34 3HB CYS 34 10.445 -6.498 -5.231
280 QB CYS 34 QB CYS 34 9.681 -6.840 -5.517
281 H GLU 35 HN GLU 35 12.499 -9.509 -3.964
282 HA GLU 35 HA GLU 35 12.132 -8.334 -1.292
283 2HB GLU 35 2HB GLU 35 14.256 -9.366 -0.779
284 3HB GLU 35 3HB GLU 35 13.023 -10.498 -1.345
285 1HG GLU 35 2HG GLU 35 14.466 -11.328 -2.831
286 2HG GLU 35 3HG GLU 35 14.508 -9.757 -3.647
287 QB GLU 35 QB GLU 35 13.639 -9.932 -1.062
288 QG GLU 35 QG GLU 35 14.487 -10.542 -3.239
289 H GLY 36 HN GLY 36 11.999 -6.154 -1.735
290 1HA GLY 36 1HA GLY 36 14.244 -4.670 -2.935
291 2HA GLY 36 2HA GLY 36 12.876 -4.005 -2.029
292 QA GLY 36 QA GLY 36 13.560 -4.338 -2.482
293 NH1 ARG 37 NH1 ARG 37 19.191 -9.234 -1.843
294 NH2 ARG 37 NH2 ARG 37 19.730 -7.815 -0.116
295 H ARG 37 HN ARG 37 15.210 -2.913 -1.326
296 HA ARG 37 HA ARG 37 15.829 -4.094 1.345
297 2HB ARG 37 2HB ARG 37 17.867 -3.282 -0.787
298 3HB ARG 37 3HB ARG 37 18.220 -3.422 0.931
299 1HG ARG 37 2HG ARG 37 18.918 -5.370 0.356
300 2HG ARG 37 3HG ARG 37 17.250 -5.862 0.720
301 1HD ARG 37 2HD ARG 37 16.825 -5.611 -1.829
302 2HD ARG 37 3HD ARG 37 18.563 -5.440 -2.014
303 HE ARG 37 HE ARG 37 17.226 -7.825 -2.121
304 1HH1 ARG 37 2HH1 ARG 37 18.606 -9.482 -2.615
305 2HH1 ARG 37 1HH1 ARG 37 19.968 -9.814 -1.597
306 1HH2 ARG 37 1HH2 ARG 37 20.503 -8.405 0.118
307 2HH2 ARG 37 2HH2 ARG 37 19.552 -6.989 0.418
308 QB ARG 37 QB ARG 37 18.044 -3.352 0.072
309 QG ARG 37 QG ARG 37 18.084 -5.616 0.538
310 QD ARG 37 QD ARG 37 17.694 -5.525 -1.921
311 QH1 ARG 37 QH1 ARG 37 19.287 -9.648 -2.106
312 QH2 ARG 37 QH2 ARG 37 20.027 -7.697 0.268
313 H ALA 38 HN ALA 38 14.036 -2.296 1.319
314 HA ALA 38 HA ALA 38 14.956 -0.432 3.161
315 1HB ALA 38 3HB ALA 38 14.630 0.846 0.406
316 2HB ALA 38 1HB ALA 38 14.658 1.750 1.933
317 3HB ALA 38 2HB ALA 38 16.088 0.881 1.423
318 QB ALA 38 QB ALA 38 15.125 1.159 1.254
319 H ILE 39 HN ILE 39 12.822 -2.141 3.241
320 HA ILE 39 HA ILE 39 10.469 -0.399 3.174
321 HB ILE 39 HB ILE 39 9.141 -1.866 1.815
322 2HG1 ILE 39 2HG1 ILE 39 11.574 -3.675 1.792
323 3HG1 ILE 39 3HG1 ILE 39 9.894 -4.037 2.218
324 1HG2 ILE 39 2HG2 ILE 39 10.466 -0.087 0.671
325 2HG2 ILE 39 3HG2 ILE 39 11.676 -1.315 0.229
326 3HG2 ILE 39 1HG2 ILE 39 10.018 -1.425 -0.374
327 1HD1 ILE 39 1HD1 ILE 39 9.272 -3.716 -0.196
328 2HD1 ILE 39 2HD1 ILE 39 11.001 -3.537 -0.572
329 3HD1 ILE 39 3HD1 ILE 39 10.396 -5.057 0.101
330 QG1 ILE 39 QG1 ILE 39 10.734 -3.856 2.005
331 QG2 ILE 39 QG2 ILE 39 10.720 -0.942 0.175
332 QD1 ILE 39 QD1 ILE 39 10.223 -4.103 -0.222
333 H ILE 40 HN ILE 40 8.569 -1.609 4.099
334 HA ILE 40 HA ILE 40 9.430 -3.427 6.306
335 HB ILE 40 HB ILE 40 7.029 -1.583 5.997
336 2HG1 ILE 40 2HG1 ILE 40 9.194 -0.417 6.491
337 3HG1 ILE 40 3HG1 ILE 40 7.935 -0.203 7.699
338 1HG2 ILE 40 1HG2 ILE 40 7.750 -3.479 8.266
339 2HG2 ILE 40 2HG2 ILE 40 6.538 -2.185 8.378
340 3HG2 ILE 40 3HG2 ILE 40 6.302 -3.516 7.242
341 1HD1 ILE 40 2HD1 ILE 40 10.150 -2.270 8.047
342 2HD1 ILE 40 3HD1 ILE 40 10.275 -0.591 8.589
343 3HD1 ILE 40 1HD1 ILE 40 9.019 -1.639 9.265
344 QG1 ILE 40 QG1 ILE 40 8.564 -0.310 7.095
345 QG2 ILE 40 QG2 ILE 40 6.863 -3.060 7.962
346 QD1 ILE 40 QD1 ILE 40 9.815 -1.500 8.634
347 H GLY 41 HN GLY 41 9.171 -5.477 5.590
348 1HA GLY 41 1HA GLY 41 7.665 -7.304 5.307
349 2HA GLY 41 2HA GLY 41 6.529 -6.256 4.445
350 QA GLY 41 QA GLY 41 7.097 -6.780 4.876
351 OH TYR 42 OH TYR 42 7.757 -12.436 5.912
352 H TYR 42 HN TYR 42 6.460 -7.447 2.515
353 HA TYR 42 HA TYR 42 9.059 -7.965 1.088
354 2HB TYR 42 2HB TYR 42 6.565 -9.590 0.674
355 3HB TYR 42 3HB TYR 42 8.229 -9.987 0.260
356 HD1 TYR 42 HD1 TYR 42 5.882 -11.458 1.902
357 HD2 TYR 42 HD2 TYR 42 9.607 -9.538 2.931
358 HE1 TYR 42 HE1 TYR 42 5.975 -12.751 4.016
359 HE2 TYR 42 HE2 TYR 42 9.640 -10.762 5.078
360 HH TYR 42 HH TYR 42 8.426 -12.117 6.519
361 QB TYR 42 QB TYR 42 7.397 -9.788 0.467
362 QB TYR 42 QB TYR 42 7.397 -9.788 0.467
363 H CYS 43 HN CYS 43 9.102 -7.205 -1.102
364 HA CYS 43 HA CYS 43 6.772 -5.521 -1.812
365 2HB CYS 43 2HB CYS 43 9.455 -5.082 -2.105
366 3HB CYS 43 3HB CYS 43 9.043 -5.757 -3.675
367 QB CYS 43 QB CYS 43 9.249 -5.419 -2.890
368 H CYS 44 HN CYS 44 5.856 -5.783 -4.042
369 HA CYS 44 HA CYS 44 6.494 -8.262 -5.455
370 2HB CYS 44 2HB CYS 44 4.593 -8.587 -3.564
371 3HB CYS 44 3HB CYS 44 3.584 -7.953 -4.870
372 QB CYS 44 QB CYS 44 4.089 -8.270 -4.217
373 H LYS 45 HN LYS 45 6.136 -7.905 -7.675
374 HA LYS 45 HA LYS 45 4.856 -5.295 -8.404
375 2HB LYS 45 2HB LYS 45 7.435 -6.022 -8.996
376 3HB LYS 45 3HB LYS 45 6.604 -6.677 -10.401
377 1HG LYS 45 2HG LYS 45 5.529 -4.059 -10.032
378 2HG LYS 45 3HG LYS 45 7.229 -3.886 -9.638
379 1HD LYS 45 2HD LYS 45 6.142 -4.994 -12.272
380 2HD LYS 45 3HD LYS 45 6.584 -3.329 -11.941
381 2HE LYS 45 2HE LYS 45 8.427 -4.136 -13.058
382 3HE LYS 45 3HE LYS 45 8.948 -4.082 -11.373
383 1HZ LYS 45 3HZ LYS 45 7.838 -6.543 -12.468
384 2HZ LYS 45 1HZ LYS 45 9.376 -6.135 -12.838
385 3HZ LYS 45 2HZ LYS 45 8.941 -6.350 -11.279
386 QB LYS 45 QB LYS 45 7.019 -6.350 -9.698
387 QG LYS 45 QG LYS 45 6.379 -3.973 -9.835
388 QD LYS 45 QD LYS 45 6.363 -4.161 -12.106
389 QE LYS 45 QE LYS 45 8.688 -4.109 -12.215
390 QZ LYS 45 QZ LYS 45 8.618 -6.384 -12.655
391 H GLN 46 HN GLN 46 4.224 -5.695 -11.023
392 HA GLN 46 HA GLN 46 3.074 -8.366 -11.392
393 2HB GLN 46 2HB GLN 46 0.839 -7.649 -11.681
394 3HB GLN 46 3HB GLN 46 1.369 -7.049 -10.117
395 1HG GLN 46 2HG GLN 46 0.964 -5.459 -12.667
396 2HG GLN 46 3HG GLN 46 0.020 -5.406 -11.183
397 1HE2 GLN 46 1HE2 GLN 46 0.557 -3.830 -9.669
398 2HE2 GLN 46 2HE2 GLN 46 2.026 -2.878 -9.743
399 QB GLN 46 QB GLN 46 1.104 -7.349 -10.899
400 QG GLN 46 QG GLN 46 0.492 -5.432 -11.925
401 QE2 GLN 46 QE2 GLN 46 1.291 -3.354 -9.706
Start of MODEL 2
Raw file had 402 H/Q atoms
1 1H GLY 1 2HN GLY 1 -0.442 0.509 -0.765
2 2H GLY 1 3HN GLY 1 -0.350 -1.017 -0.130
3 3H GLY 1 1HN GLY 1 -0.480 0.292 0.876
4 1HA GLY 1 1HA GLY 1 1.666 0.975 0.575
5 2HA GLY 1 2HA GLY 1 1.784 -0.803 0.569
6 QA GLY 1 QA GLY 1 1.725 0.086 0.572
7 H ALA 2 HN ALA 2 3.848 0.200 -0.761
8 HA ALA 2 HA ALA 2 3.259 -0.176 -3.614
9 1HB ALA 2 2HB ALA 2 4.527 2.326 -2.407
10 2HB ALA 2 3HB ALA 2 4.709 1.866 -4.111
11 3HB ALA 2 1HB ALA 2 3.100 2.230 -3.463
12 QB ALA 2 QB ALA 2 4.112 2.141 -3.327
13 H ALA 3 HN ALA 3 5.475 -0.227 -4.764
14 HA ALA 3 HA ALA 3 6.918 -2.354 -3.716
15 1HB ALA 3 1HB ALA 3 6.875 -1.801 -6.107
16 2HB ALA 3 2HB ALA 3 7.803 -0.314 -5.797
17 3HB ALA 3 3HB ALA 3 8.547 -1.903 -5.525
18 QB ALA 3 QB ALA 3 7.742 -1.339 -5.810
19 H CYS 4 HN CYS 4 9.092 -2.488 -2.724
20 HA CYS 4 HA CYS 4 10.307 0.100 -1.952
21 2HB CYS 4 2HB CYS 4 10.227 -0.232 0.363
22 3HB CYS 4 3HB CYS 4 8.708 -1.024 -0.016
23 QB CYS 4 QB CYS 4 9.467 -0.628 0.174
24 H LEU 5 HN LEU 5 12.414 -0.025 -1.110
25 HA LEU 5 HA LEU 5 13.960 -2.026 -2.522
26 2HB LEU 5 2HB LEU 5 15.491 -0.227 -0.810
27 3HB LEU 5 3HB LEU 5 15.657 -0.713 -2.498
28 HG LEU 5 HG LEU 5 13.576 0.949 -2.813
29 1HD1 LEU 5 1HD1 LEU 5 13.566 1.321 -0.240
30 2HD1 LEU 5 2HD1 LEU 5 15.082 2.190 -0.465
31 3HD1 LEU 5 3HD1 LEU 5 13.600 2.790 -1.239
32 1HD2 LEU 5 2HD2 LEU 5 16.130 1.063 -3.629
33 2HD2 LEU 5 3HD2 LEU 5 14.994 2.399 -3.808
34 3HD2 LEU 5 1HD2 LEU 5 16.163 2.398 -2.474
35 QB LEU 5 QB LEU 5 15.574 -0.470 -1.654
36 QD1 LEU 5 QD1 LEU 5 14.083 2.100 -0.648
37 QD2 LEU 5 QD2 LEU 5 15.762 1.953 -3.304
38 QQD LEU 5 QQD LEU 5 14.922 2.027 -1.976
39 H CYS 6 HN CYS 6 14.508 -3.863 -1.657
40 HA CYS 6 HA CYS 6 14.014 -4.412 1.168
41 2HB CYS 6 2HB CYS 6 14.782 -5.909 -1.329
42 3HB CYS 6 3HB CYS 6 15.397 -6.622 0.138
43 QB CYS 6 QB CYS 6 15.090 -6.266 -0.595
44 H LYS 7 HN LYS 7 15.694 -5.904 2.305
45 HA LYS 7 HA LYS 7 17.815 -4.190 3.115
46 2HB LYS 7 2HB LYS 7 16.990 -5.863 4.596
47 3HB LYS 7 3HB LYS 7 17.323 -7.176 3.449
48 1HG LYS 7 2HG LYS 7 19.711 -6.870 3.644
49 2HG LYS 7 3HG LYS 7 19.520 -5.393 4.582
50 1HD LYS 7 2HD LYS 7 18.693 -8.224 5.423
51 2HD LYS 7 3HD LYS 7 20.189 -7.420 5.895
52 2HE LYS 7 2HE LYS 7 17.349 -6.716 6.762
53 3HE LYS 7 3HE LYS 7 18.717 -7.249 7.747
54 1HZ LYS 7 2HZ LYS 7 19.780 -5.128 6.963
55 2HZ LYS 7 3HZ LYS 7 18.282 -4.656 6.513
56 3HZ LYS 7 1HZ LYS 7 18.590 -5.016 8.076
57 QB LYS 7 QB LYS 7 17.156 -6.519 4.023
58 QG LYS 7 QG LYS 7 19.615 -6.131 4.113
59 QD LYS 7 QD LYS 7 19.441 -7.822 5.659
60 QE LYS 7 QE LYS 7 18.033 -6.983 7.254
61 QZ LYS 7 QZ LYS 7 18.449 -4.792 7.302
62 H SER 8 HN SER 8 17.600 -6.515 0.501
63 HA SER 8 HA SER 8 20.395 -6.727 -0.063
64 2HB SER 8 2HB SER 8 18.575 -8.265 -0.876
65 3HB SER 8 3HB SER 8 18.075 -6.996 -2.017
66 HG SER 8 HG SER 8 20.308 -7.090 -2.782
67 QB SER 8 QB SER 8 18.325 -7.630 -1.446
68 H ASP 9 HN ASP 9 18.249 -4.023 -0.399
69 HA ASP 9 HA ASP 9 19.458 -2.697 -2.631
70 2HB ASP 9 2HB ASP 9 17.198 -2.142 -1.653
71 3HB ASP 9 3HB ASP 9 18.013 -1.616 -0.167
72 QB ASP 9 QB ASP 9 17.605 -1.879 -0.910
73 H GLY 10 HN GLY 10 20.520 -0.591 -2.316
74 1HA GLY 10 1HA GLY 10 22.177 -0.242 0.073
75 2HA GLY 10 2HA GLY 10 23.115 -0.531 -1.393
76 QA GLY 10 QA GLY 10 22.646 -0.387 -0.660
77 HA PRO 11 HA PRO 11 22.541 3.768 -2.244
78 2HB PRO 11 2HB PRO 11 22.611 3.967 -4.979
79 3HB PRO 11 3HB PRO 11 24.019 3.531 -3.975
80 1HG PRO 11 2HG PRO 11 22.269 1.722 -5.616
81 2HG PRO 11 3HG PRO 11 24.027 1.620 -5.318
82 1HD PRO 11 2HD PRO 11 22.023 0.148 -3.989
83 2HD PRO 11 3HD PRO 11 23.692 0.389 -3.394
84 QB PRO 11 QB PRO 11 23.315 3.749 -4.477
85 QG PRO 11 QG PRO 11 23.148 1.671 -5.467
86 QD PRO 11 QD PRO 11 22.858 0.269 -3.691
87 H ASN 12 HN ASN 12 20.691 4.877 -1.855
88 HA ASN 12 HA ASN 12 18.107 4.014 -2.553
89 2HB ASN 12 2HB ASN 12 19.303 6.295 -1.195
90 3HB ASN 12 3HB ASN 12 18.094 6.909 -2.312
91 1HD2 ASN 12 2HD2 ASN 12 16.593 6.144 1.064
92 2HD2 ASN 12 1HD2 ASN 12 17.978 7.083 0.539
93 QB ASN 12 QB ASN 12 18.698 6.602 -1.753
94 QD2 ASN 12 QD2 ASN 12 17.285 6.614 0.802
95 H THR 13 HN THR 13 17.609 3.604 -4.681
96 HA THR 13 HA THR 13 17.337 5.913 -6.453
97 HB THR 13 HB THR 13 19.574 5.291 -7.030
98 HG1 THR 13 HG1 THR 13 17.880 4.107 -8.969
99 1HG2 THR 13 1HG2 THR 13 18.713 2.512 -6.571
100 2HG2 THR 13 3HG2 THR 13 19.572 2.718 -8.111
101 3HG2 THR 13 2HG2 THR 13 20.323 3.222 -6.597
102 QG2 THR 13 QG2 THR 13 19.536 2.817 -7.093
103 NH1 ARG 14 NH1 ARG 14 8.570 4.901 -7.932
104 NH2 ARG 14 NH2 ARG 14 8.376 6.892 -9.103
105 H ARG 14 HN ARG 14 15.553 5.638 -7.793
106 HA ARG 14 HA ARG 14 13.834 3.454 -7.108
107 2HB ARG 14 2HB ARG 14 13.358 5.964 -7.858
108 3HB ARG 14 3HB ARG 14 13.348 5.298 -9.485
109 1HG ARG 14 2HG ARG 14 11.764 3.747 -7.473
110 2HG ARG 14 3HG ARG 14 11.291 5.424 -7.598
111 1HD ARG 14 2HD ARG 14 11.600 4.093 -10.251
112 2HD ARG 14 3HD ARG 14 10.404 3.312 -9.244
113 HE ARG 14 HE ARG 14 10.177 5.860 -10.561
114 1HH1 ARG 14 2HH1 ARG 14 9.028 4.024 -7.785
115 2HH1 ARG 14 1HH1 ARG 14 7.816 5.178 -7.336
116 1HH2 ARG 14 2HH2 ARG 14 8.689 7.502 -9.831
117 2HH2 ARG 14 1HH2 ARG 14 7.622 7.169 -8.508
118 QB ARG 14 QB ARG 14 13.353 5.631 -8.672
119 QG ARG 14 QG ARG 14 11.528 4.585 -7.536
120 QD ARG 14 QD ARG 14 11.002 3.703 -9.748
121 QH1 ARG 14 QH1 ARG 14 8.422 4.601 -7.560
122 QH2 ARG 14 QH2 ARG 14 8.156 7.336 -9.169
123 H GLY 15 HN GLY 15 13.206 1.688 -8.456
124 1HA GLY 15 1HA GLY 15 13.510 0.039 -10.033
125 2HA GLY 15 2HA GLY 15 14.191 1.267 -11.110
126 QA GLY 15 QA GLY 15 13.851 0.653 -10.571
127 H ASN 16 HN ASN 16 15.259 -0.055 -7.938
128 HA ASN 16 HA ASN 16 17.636 -1.279 -9.274
129 2HB ASN 16 2HB ASN 16 18.487 0.687 -8.214
130 3HB ASN 16 3HB ASN 16 17.603 0.367 -6.722
131 1HD2 ASN 16 2HD2 ASN 16 19.582 -2.019 -8.688
132 2HD2 ASN 16 1HD2 ASN 16 20.665 -2.325 -7.344
133 QB ASN 16 QB ASN 16 18.045 0.527 -7.468
134 QD2 ASN 16 QD2 ASN 16 20.124 -2.172 -8.016
135 H SER 17 HN SER 17 16.901 -1.344 -5.818
136 HA SER 17 HA SER 17 16.439 -4.287 -6.028
137 2HB SER 17 2HB SER 17 17.713 -2.396 -4.063
138 3HB SER 17 3HB SER 17 16.954 -3.860 -3.423
139 HG SER 17 HG SER 17 19.099 -3.642 -5.213
140 QB SER 17 QB SER 17 17.333 -3.128 -3.743
141 H MET 18 HN MET 18 14.348 -2.234 -6.609
142 HA MET 18 HA MET 18 12.684 -2.105 -4.304
143 2HB MET 18 2HB MET 18 13.029 -0.485 -6.423
144 3HB MET 18 3HB MET 18 11.513 -1.277 -6.903
145 1HG MET 18 2HG MET 18 10.609 -0.617 -4.659
146 2HG MET 18 3HG MET 18 12.157 0.197 -4.362
147 1HE MET 18 1HE MET 18 10.176 2.109 -3.745
148 2HE MET 18 2HE MET 18 11.813 2.673 -4.174
149 3HE MET 18 3HE MET 18 10.388 3.480 -4.861
150 QB MET 18 QB MET 18 12.271 -0.881 -6.663
151 QG MET 18 QG MET 18 11.383 -0.210 -4.510
152 QE MET 18 QE MET 18 10.792 2.754 -4.260
153 H SER 19 HN SER 19 12.958 -4.614 -4.349
154 HA SER 19 HA SER 19 10.754 -5.951 -5.878
155 2HB SER 19 2HB SER 19 13.200 -6.653 -6.210
156 3HB SER 19 3HB SER 19 13.142 -7.281 -4.552
157 HG SER 19 HG SER 19 11.379 -8.021 -6.664
158 QB SER 19 QB SER 19 13.171 -6.967 -5.381
159 H GLY 20 HN GLY 20 10.945 -4.436 -3.055
160 1HA GLY 20 1HA GLY 20 9.581 -6.548 -1.452
161 2HA GLY 20 2HA GLY 20 10.258 -5.017 -0.883
162 QA GLY 20 QA GLY 20 9.920 -5.783 -1.168
163 H THR 21 HN THR 21 7.758 -5.424 -0.115
164 HA THR 21 HA THR 21 6.415 -3.174 -1.485
165 HB THR 21 HB THR 21 5.108 -5.830 -0.803
166 HG1 THR 21 HG1 THR 21 5.726 -4.345 -3.130
167 1HG2 THR 21 2HG2 THR 21 3.775 -3.243 -1.631
168 2HG2 THR 21 1HG2 THR 21 3.020 -4.851 -1.629
169 3HG2 THR 21 3HG2 THR 21 3.550 -4.126 -0.096
170 QG2 THR 21 QG2 THR 21 3.448 -4.073 -1.119
171 H ILE 22 HN ILE 22 5.816 -1.688 -0.043
172 HA ILE 22 HA ILE 22 6.440 -2.072 2.748
173 HB ILE 22 HB ILE 22 5.699 0.147 0.961
174 2HG1 ILE 22 2HG1 ILE 22 7.933 -0.444 2.044
175 3HG1 ILE 22 3HG1 ILE 22 7.429 1.246 2.101
176 1HG2 ILE 22 3HG2 ILE 22 4.703 0.317 3.831
177 2HG2 ILE 22 1HG2 ILE 22 4.989 1.696 2.751
178 3HG2 ILE 22 2HG2 ILE 22 3.757 0.500 2.341
179 1HD1 ILE 22 3HD1 ILE 22 6.849 -0.637 4.434
180 2HD1 ILE 22 1HD1 ILE 22 8.394 0.186 4.258
181 3HD1 ILE 22 2HD1 ILE 22 6.915 1.139 4.418
182 QG1 ILE 22 QG1 ILE 22 7.681 0.401 2.072
183 QG2 ILE 22 QG2 ILE 22 4.483 0.838 2.974
184 QD1 ILE 22 QD1 ILE 22 7.386 0.229 4.370
185 CH2 TRP 23 CH2 TRP 23 0.701 -6.198 -0.057
186 H TRP 23 HN TRP 23 5.123 -2.730 4.437
187 HA TRP 23 HA TRP 23 2.186 -2.805 3.951
188 2HB TRP 23 2HB TRP 23 3.907 -4.908 5.285
189 3HB TRP 23 3HB TRP 23 2.142 -4.936 5.164
190 HD1 TRP 23 HD1 TRP 23 5.243 -5.966 3.350
191 HE1 TRP 23 HE1 TRP 23 4.734 -7.014 1.118
192 HE3 TRP 23 HE3 TRP 23 0.277 -4.740 2.996
193 HZ2 TRP 23 HZ2 TRP 23 2.503 -7.200 -0.706
194 HZ3 TRP 23 HZ3 TRP 23 -0.941 -5.171 0.890
195 HH2 TRP 23 HH2 TRP 23 0.160 -6.390 -0.973
196 QB TRP 23 QB TRP 23 3.024 -4.922 5.225
197 H VAL 24 HN VAL 24 1.015 -2.807 6.053
198 HA VAL 24 HA VAL 24 2.350 -0.848 7.863
199 HB VAL 24 HB VAL 24 -0.578 -1.545 7.534
200 1HG1 VAL 24 2HG1 VAL 24 0.890 0.359 9.355
201 2HG1 VAL 24 3HG1 VAL 24 -0.752 0.738 8.791
202 3HG1 VAL 24 1HG1 VAL 24 -0.456 -0.750 9.686
203 1HG2 VAL 24 3HG2 VAL 24 1.019 -0.064 5.754
204 2HG2 VAL 24 1HG2 VAL 24 -0.732 0.070 5.947
205 3HG2 VAL 24 2HG2 VAL 24 0.353 1.174 6.810
206 QG1 VAL 24 QG1 VAL 24 -0.106 0.116 9.277
207 QG2 VAL 24 QG2 VAL 24 0.213 0.393 6.170
208 QQG VAL 24 QQG VAL 24 0.054 0.255 7.724
209 H PHE 25 HN PHE 25 -0.155 -3.367 8.462
210 HA PHE 25 HA PHE 25 1.653 -4.729 10.400
211 2HB PHE 25 2HB PHE 25 -1.209 -3.828 10.859
212 3HB PHE 25 3HB PHE 25 -0.262 -4.782 12.006
213 HD1 PHE 25 HD1 PHE 25 2.334 -3.452 12.119
214 HD2 PHE 25 HD2 PHE 25 -1.604 -1.708 11.847
215 HE1 PHE 25 HE1 PHE 25 3.228 -1.313 12.934
216 HE2 PHE 25 HE2 PHE 25 -0.709 0.422 12.735
217 HZ PHE 25 HZ PHE 25 1.712 0.630 13.279
218 QB PHE 25 QB PHE 25 -0.735 -4.305 11.432
219 QB PHE 25 QB PHE 25 -0.735 -4.305 11.432
220 H GLY 26 HN GLY 26 0.697 -5.399 7.630
221 1HA GLY 26 1HA GLY 26 -0.451 -8.085 8.261
222 2HA GLY 26 2HA GLY 26 -1.399 -6.892 7.356
223 QA GLY 26 QA GLY 26 -0.925 -7.489 7.808
224 H CYS 27 HN CYS 27 1.222 -9.195 7.155
225 HA CYS 27 HA CYS 27 1.914 -8.235 4.460
226 2HB CYS 27 2HB CYS 27 3.678 -8.913 6.317
227 3HB CYS 27 3HB CYS 27 3.487 -10.516 5.564
228 QB CYS 27 QB CYS 27 3.582 -9.715 5.940
229 HA PRO 28 HA PRO 28 -0.783 -11.496 2.969
230 2HB PRO 28 2HB PRO 28 0.285 -11.571 0.303
231 3HB PRO 28 3HB PRO 28 -1.158 -10.713 0.892
232 1HG PRO 28 2HG PRO 28 1.455 -9.579 0.191
233 2HG PRO 28 3HG PRO 28 -0.077 -8.746 0.541
234 1HD PRO 28 2HD PRO 28 2.233 -8.975 2.205
235 2HD PRO 28 3HD PRO 28 0.653 -8.237 2.616
236 QB PRO 28 QB PRO 28 -0.437 -11.142 0.598
237 QG PRO 28 QG PRO 28 0.689 -9.163 0.366
238 QD PRO 28 QD PRO 28 1.443 -8.606 2.411
239 H SER 29 HN SER 29 -0.697 -13.731 2.346
240 HA SER 29 HA SER 29 1.440 -15.191 3.402
241 2HB SER 29 2HB SER 29 -1.035 -15.811 1.980
242 3HB SER 29 3HB SER 29 0.269 -16.819 1.356
243 HG SER 29 HG SER 29 -0.392 -16.491 4.105
244 QB SER 29 QB SER 29 -0.383 -16.315 1.668
245 H GLY 30 HN GLY 30 3.417 -15.754 2.704
246 1HA GLY 30 1HA GLY 30 5.020 -16.404 1.115
247 2HA GLY 30 2HA GLY 30 4.112 -15.653 -0.191
248 QA GLY 30 QA GLY 30 4.566 -16.028 0.462
249 CH2 TRP 31 CH2 TRP 31 5.819 -7.892 -2.700
250 H TRP 31 HN TRP 31 3.985 -13.306 2.154
251 HA TRP 31 HA TRP 31 6.448 -11.967 1.124
252 2HB TRP 31 2HB TRP 31 3.833 -10.944 2.237
253 3HB TRP 31 3HB TRP 31 5.276 -10.005 1.932
254 HD1 TRP 31 HD1 TRP 31 2.889 -12.123 -0.243
255 HE1 TRP 31 HE1 TRP 31 2.739 -10.887 -2.504
256 HE3 TRP 31 HE3 TRP 31 6.498 -8.711 0.557
257 HZ2 TRP 31 HZ2 TRP 31 4.050 -8.508 -3.748
258 HZ3 TRP 31 HZ3 TRP 31 7.448 -7.404 -1.389
259 HH2 TRP 31 HH2 TRP 31 6.184 -7.279 -3.512
260 QB TRP 31 QB TRP 31 4.555 -10.474 2.085
261 H ASN 32 HN ASN 32 8.139 -11.659 2.537
262 HA ASN 32 HA ASN 32 7.669 -10.628 5.168
263 2HB ASN 32 2HB ASN 32 7.186 -12.888 5.833
264 3HB ASN 32 3HB ASN 32 8.580 -13.516 4.942
265 1HD2 ASN 32 2HD2 ASN 32 10.231 -13.575 8.064
266 2HD2 ASN 32 1HD2 ASN 32 9.769 -14.431 6.607
267 QB ASN 32 QB ASN 32 7.883 -13.202 5.387
268 QD2 ASN 32 QD2 ASN 32 10.000 -14.003 7.335
269 H ASN 33 HN ASN 33 9.723 -10.168 6.243
270 HA ASN 33 HA ASN 33 11.771 -9.504 6.448
271 2HB ASN 33 2HB ASN 33 11.983 -12.019 6.229
272 3HB ASN 33 3HB ASN 33 12.373 -11.816 4.518
273 1HD2 ASN 33 1HD2 ASN 33 13.455 -10.896 7.822
274 2HD2 ASN 33 2HD2 ASN 33 15.158 -10.845 7.403
275 QB ASN 33 QB ASN 33 12.178 -11.917 5.373
276 QD2 ASN 33 QD2 ASN 33 14.307 -10.870 7.613
277 H CYS 34 HN CYS 34 11.651 -7.420 5.540
278 HA CYS 34 HA CYS 34 13.546 -6.874 3.390
279 2HB CYS 34 2HB CYS 34 11.156 -7.591 2.462
280 3HB CYS 34 3HB CYS 34 10.635 -6.081 3.123
281 QB CYS 34 QB CYS 34 10.896 -6.836 2.793
282 H GLU 35 HN GLU 35 14.423 -4.892 3.838
283 HA GLU 35 HA GLU 35 12.813 -2.709 4.516
284 2HB GLU 35 2HB GLU 35 13.638 -2.241 6.797
285 3HB GLU 35 3HB GLU 35 12.591 -3.637 6.724
286 1HG GLU 35 2HG GLU 35 14.125 -4.644 7.991
287 2HG GLU 35 3HG GLU 35 15.001 -4.912 6.483
288 QB GLU 35 QB GLU 35 13.115 -2.939 6.760
289 QG GLU 35 QG GLU 35 14.563 -4.778 7.237
290 H GLY 36 HN GLY 36 13.898 -1.060 3.619
291 1HA GLY 36 1HA GLY 36 16.773 -1.339 2.961
292 2HA GLY 36 2HA GLY 36 15.617 -0.158 2.324
293 QA GLY 36 QA GLY 36 16.195 -0.748 2.642
294 NH1 ARG 37 NH1 ARG 37 22.502 -1.096 6.733
295 NH2 ARG 37 NH2 ARG 37 21.295 -1.722 4.851
296 H ARG 37 HN ARG 37 16.111 1.874 3.050
297 HA ARG 37 HA ARG 37 16.354 2.382 5.936
298 2HB ARG 37 2HB ARG 37 18.629 2.961 3.972
299 3HB ARG 37 3HB ARG 37 18.386 3.847 5.470
300 1HG ARG 37 2HG ARG 37 19.775 2.484 6.356
301 2HG ARG 37 3HG ARG 37 18.400 1.420 6.587
302 1HD ARG 37 2HD ARG 37 19.126 -0.046 4.869
303 2HD ARG 37 3HD ARG 37 20.129 1.193 4.084
304 HE ARG 37 HE ARG 37 21.320 1.066 6.470
305 1HH1 ARG 37 1HH1 ARG 37 22.971 -1.979 6.729
306 2HH1 ARG 37 2HH1 ARG 37 22.717 -0.419 7.436
307 1HH2 ARG 37 1HH2 ARG 37 21.761 -2.607 4.844
308 2HH2 ARG 37 2HH2 ARG 37 20.611 -1.511 4.152
309 QB ARG 37 QB ARG 37 18.507 3.404 4.721
310 QG ARG 37 QG ARG 37 19.087 1.952 6.471
311 QD ARG 37 QD ARG 37 19.628 0.573 4.477
312 QH1 ARG 37 QH1 ARG 37 22.844 -1.199 7.083
313 QH2 ARG 37 QH2 ARG 37 21.186 -2.059 4.498
314 H ALA 38 HN ALA 38 14.173 3.093 4.918
315 HA ALA 38 HA ALA 38 14.106 5.923 5.079
316 1HB ALA 38 3HB ALA 38 13.950 4.808 2.247
317 2HB ALA 38 1HB ALA 38 13.289 6.397 2.683
318 3HB ALA 38 2HB ALA 38 15.005 6.107 2.846
319 QB ALA 38 QB ALA 38 14.081 5.771 2.592
320 H ILE 39 HN ILE 39 12.687 3.701 6.287
321 HA ILE 39 HA ILE 39 9.924 4.384 5.631
322 HB ILE 39 HB ILE 39 9.480 1.817 5.491
323 2HG1 ILE 39 2HG1 ILE 39 12.280 1.842 4.268
324 3HG1 ILE 39 3HG1 ILE 39 11.926 1.208 5.884
325 1HG2 ILE 39 1HG2 ILE 39 9.030 3.491 3.670
326 2HG2 ILE 39 2HG2 ILE 39 10.658 3.181 3.026
327 3HG2 ILE 39 3HG2 ILE 39 9.457 1.906 3.050
328 1HD1 ILE 39 1HD1 ILE 39 10.697 0.148 3.290
329 2HD1 ILE 39 2HD1 ILE 39 12.039 -0.561 4.174
330 3HD1 ILE 39 3HD1 ILE 39 10.447 -0.487 4.939
331 QG1 ILE 39 QG1 ILE 39 12.103 1.525 5.076
332 QG2 ILE 39 QG2 ILE 39 9.715 2.859 3.249
333 QD1 ILE 39 QD1 ILE 39 11.061 -0.300 4.134
334 H ILE 40 HN ILE 40 8.577 4.043 7.335
335 HA ILE 40 HA ILE 40 9.866 3.431 9.946
336 HB ILE 40 HB ILE 40 7.237 4.811 9.251
337 2HG1 ILE 40 2HG1 ILE 40 9.058 6.220 8.522
338 3HG1 ILE 40 3HG1 ILE 40 8.319 6.887 9.974
339 1HG2 ILE 40 1HG2 ILE 40 8.578 4.189 11.891
340 2HG2 ILE 40 2HG2 ILE 40 7.487 5.579 11.724
341 3HG2 ILE 40 3HG2 ILE 40 6.893 3.950 11.395
342 1HD1 ILE 40 1HD1 ILE 40 10.210 5.847 11.326
343 2HD1 ILE 40 2HD1 ILE 40 10.983 5.417 9.781
344 3HD1 ILE 40 3HD1 ILE 40 10.699 7.115 10.188
345 QG1 ILE 40 QG1 ILE 40 8.689 6.554 9.248
346 QG2 ILE 40 QG2 ILE 40 7.653 4.573 11.670
347 QD1 ILE 40 QD1 ILE 40 10.631 6.126 10.432
348 H GLY 41 HN GLY 41 7.186 2.443 7.842
349 1HA GLY 41 1HA GLY 41 6.072 0.496 9.699
350 2HA GLY 41 2HA GLY 41 5.798 0.613 7.949
351 QA GLY 41 QA GLY 41 5.935 0.554 8.824
352 OH TYR 42 OH TYR 42 2.936 -7.330 7.928
353 H TYR 42 HN TYR 42 6.016 -1.768 8.128
354 HA TYR 42 HA TYR 42 8.854 -2.662 7.970
355 2HB TYR 42 2HB TYR 42 8.373 -4.712 8.753
356 3HB TYR 42 3HB TYR 42 7.351 -3.723 9.781
357 HD1 TYR 42 HD1 TYR 42 7.412 -6.785 8.362
358 HD2 TYR 42 HD2 TYR 42 4.870 -3.299 8.450
359 HE1 TYR 42 HE1 TYR 42 5.406 -8.215 8.090
360 HE2 TYR 42 HE2 TYR 42 2.922 -4.713 7.950
361 HH TYR 42 HH TYR 42 2.242 -6.865 7.463
362 QB TYR 42 QB TYR 42 7.862 -4.218 9.267
363 QB TYR 42 QB TYR 42 7.862 -4.218 9.267
364 H CYS 43 HN CYS 43 9.485 -3.427 5.995
365 HA CYS 43 HA CYS 43 7.397 -3.605 3.865
366 2HB CYS 43 2HB CYS 43 9.414 -2.153 3.480
367 3HB CYS 43 3HB CYS 43 10.407 -3.618 3.535
368 QB CYS 43 QB CYS 43 9.910 -2.885 3.507
369 H CYS 44 HN CYS 44 7.603 -5.563 2.433
370 HA CYS 44 HA CYS 44 8.958 -7.868 3.784
371 2HB CYS 44 2HB CYS 44 6.233 -7.839 2.544
372 3HB CYS 44 3HB CYS 44 7.109 -9.285 2.992
373 QB CYS 44 QB CYS 44 6.671 -8.562 2.768
374 H LYS 45 HN LYS 45 9.314 -9.552 2.157
375 HA LYS 45 HA LYS 45 9.628 -8.769 -0.686
376 2HB LYS 45 2HB LYS 45 11.625 -8.671 0.828
377 3HB LYS 45 3HB LYS 45 11.502 -10.315 1.195
378 1HG LYS 45 2HG LYS 45 11.851 -9.250 -1.667
379 2HG LYS 45 3HG LYS 45 13.219 -9.524 -0.566
380 1HD LYS 45 2HD LYS 45 11.347 -11.687 -1.592
381 2HD LYS 45 3HD LYS 45 13.025 -11.423 -1.956
382 2HE LYS 45 2HE LYS 45 13.188 -13.164 -0.465
383 3HE LYS 45 3HE LYS 45 13.512 -11.778 0.571
384 1HZ LYS 45 1HZ LYS 45 10.816 -12.245 0.708
385 2HZ LYS 45 2HZ LYS 45 11.504 -13.725 0.754
386 3HZ LYS 45 3HZ LYS 45 11.934 -12.591 1.848
387 QB LYS 45 QB LYS 45 11.564 -9.493 1.012
388 QG LYS 45 QG LYS 45 12.535 -9.387 -1.117
389 QD LYS 45 QD LYS 45 12.186 -11.555 -1.774
390 QE LYS 45 QE LYS 45 13.350 -12.471 0.053
391 QZ LYS 45 QZ LYS 45 11.341 -12.434 1.306
392 H GLN 46 HN GLN 46 8.987 -10.381 -2.080
393 HA GLN 46 HA GLN 46 7.972 -12.987 -1.013
394 2HB GLN 46 2HB GLN 46 6.802 -13.030 -3.254
395 3HB GLN 46 3HB GLN 46 6.229 -11.834 -2.094
396 1HG GLN 46 2HG GLN 46 6.960 -10.050 -3.320
397 2HG GLN 46 3HG GLN 46 8.404 -10.832 -3.915
398 1HE2 GLN 46 1HE2 GLN 46 6.998 -12.356 -6.753
399 2HE2 GLN 46 2HE2 GLN 46 8.166 -12.612 -5.445
400 QB GLN 46 QB GLN 46 6.516 -12.432 -2.674
401 QG GLN 46 QG GLN 46 7.682 -10.441 -3.618
402 QE2 GLN 46 QE2 GLN 46 7.582 -12.484 -6.099
Start of MODEL 3
Raw file had 402 H/Q atoms
1 1H GLY 1 3HN GLY 1 -0.350 -1.028 0.124
2 2H GLY 1 1HN GLY 1 -0.376 0.441 0.889
3 3H GLY 1 2HN GLY 1 -0.413 0.368 -0.765
4 1HA GLY 1 1HA GLY 1 1.776 0.477 -0.866
5 2HA GLY 1 2HA GLY 1 1.793 0.499 0.922
6 QA GLY 1 QA GLY 1 1.785 0.488 0.028
7 H ALA 2 HN ALA 2 3.891 -0.880 0.026
8 HA ALA 2 HA ALA 2 3.259 -3.584 0.896
9 1HB ALA 2 2HB ALA 2 3.164 -3.727 -1.600
10 2HB ALA 2 3HB ALA 2 4.788 -3.002 -1.686
11 3HB ALA 2 1HB ALA 2 4.560 -4.600 -0.938
12 QB ALA 2 QB ALA 2 4.171 -3.776 -1.408
13 H ALA 3 HN ALA 3 5.589 -4.682 1.041
14 HA ALA 3 HA ALA 3 6.945 -3.222 3.007
15 1HB ALA 3 2HB ALA 3 6.797 -5.649 2.986
16 2HB ALA 3 3HB ALA 3 7.888 -5.707 1.580
17 3HB ALA 3 1HB ALA 3 8.465 -5.079 3.136
18 QB ALA 3 QB ALA 3 7.717 -5.478 2.567
19 H CYS 4 HN CYS 4 9.086 -2.289 3.029
20 HA CYS 4 HA CYS 4 10.744 -1.997 0.671
21 2HB CYS 4 2HB CYS 4 10.306 0.555 0.579
22 3HB CYS 4 3HB CYS 4 8.766 -0.287 0.300
23 QB CYS 4 QB CYS 4 9.536 0.134 0.440
24 H LEU 5 HN LEU 5 12.535 -0.724 0.919
25 HA LEU 5 HA LEU 5 13.663 -1.009 3.562
26 2HB LEU 5 2HB LEU 5 14.862 -0.940 0.854
27 3HB LEU 5 3HB LEU 5 15.816 -0.949 2.343
28 HG LEU 5 HG LEU 5 13.734 -3.091 2.170
29 1HD1 LEU 5 1HD1 LEU 5 14.602 -3.027 -0.176
30 2HD1 LEU 5 2HD1 LEU 5 16.239 -3.284 0.462
31 3HD1 LEU 5 3HD1 LEU 5 14.998 -4.525 0.688
32 1HD2 LEU 5 1HD2 LEU 5 15.411 -2.905 4.043
33 2HD2 LEU 5 2HD2 LEU 5 15.499 -4.445 3.170
34 3HD2 LEU 5 3HD2 LEU 5 16.706 -3.186 2.867
35 QB LEU 5 QB LEU 5 15.339 -0.945 1.599
36 QD1 LEU 5 QD1 LEU 5 15.280 -3.612 0.325
37 QD2 LEU 5 QD2 LEU 5 15.872 -3.512 3.360
38 QQD LEU 5 QQD LEU 5 15.576 -3.562 1.842
39 H CYS 6 HN CYS 6 15.056 0.742 4.493
40 HA CYS 6 HA CYS 6 14.232 3.503 3.688
41 2HB CYS 6 2HB CYS 6 15.236 2.239 6.208
42 3HB CYS 6 3HB CYS 6 15.875 3.807 5.891
43 QB CYS 6 QB CYS 6 15.556 3.023 6.049
44 H LYS 7 HN LYS 7 16.333 4.975 4.336
45 HA LYS 7 HA LYS 7 18.037 4.979 2.287
46 2HB LYS 7 2HB LYS 7 17.948 6.764 3.891
47 3HB LYS 7 3HB LYS 7 18.568 5.741 5.186
48 1HG LYS 7 2HG LYS 7 20.793 5.565 3.901
49 2HG LYS 7 3HG LYS 7 20.057 6.581 2.680
50 1HD LYS 7 2HD LYS 7 20.694 8.421 3.695
51 2HD LYS 7 3HD LYS 7 19.644 8.053 5.055
52 2HE LYS 7 2HE LYS 7 22.545 7.149 4.674
53 3HE LYS 7 3HE LYS 7 21.994 8.417 5.778
54 1HZ LYS 7 2HZ LYS 7 21.184 5.601 5.957
55 2HZ LYS 7 3HZ LYS 7 22.359 6.287 6.860
56 3HZ LYS 7 1HZ LYS 7 20.812 6.787 7.016
57 QB LYS 7 QB LYS 7 18.258 6.253 4.538
58 QG LYS 7 QG LYS 7 20.425 6.073 3.290
59 QD LYS 7 QD LYS 7 20.169 8.237 4.375
60 QE LYS 7 QE LYS 7 22.270 7.783 5.226
61 QZ LYS 7 QZ LYS 7 21.578 6.504 6.970
62 H SER 8 HN SER 8 18.228 2.888 5.076
63 HA SER 8 HA SER 8 20.819 1.722 4.330
64 2HB SER 8 2HB SER 8 19.137 1.841 6.747
65 3HB SER 8 3HB SER 8 19.721 0.213 6.456
66 HG SER 8 HG SER 8 21.834 1.039 6.310
67 QB SER 8 QB SER 8 19.429 1.027 6.602
68 H ASP 9 HN ASP 9 18.455 1.456 2.462
69 HA ASP 9 HA ASP 9 17.920 -1.304 2.173
70 2HB ASP 9 2HB ASP 9 16.962 0.608 0.822
71 3HB ASP 9 3HB ASP 9 18.543 0.730 0.003
72 QB ASP 9 QB ASP 9 17.753 0.669 0.412
73 H GLY 10 HN GLY 10 19.088 -2.978 1.530
74 1HA GLY 10 1HA GLY 10 21.173 -3.458 0.035
75 2HA GLY 10 2HA GLY 10 22.012 -2.748 1.442
76 QA GLY 10 QA GLY 10 21.593 -3.103 0.738
77 HA PRO 11 HA PRO 11 21.129 -7.267 2.349
78 2HB PRO 11 2HB PRO 11 23.684 -8.145 2.761
79 3HB PRO 11 3HB PRO 11 22.979 -7.955 1.137
80 1HG PRO 11 2HG PRO 11 24.779 -6.011 2.597
81 2HG PRO 11 3HG PRO 11 24.926 -6.594 0.913
82 1HD PRO 11 2HD PRO 11 23.747 -4.211 1.575
83 2HD PRO 11 3HD PRO 11 23.182 -5.181 0.184
84 QB PRO 11 QB PRO 11 23.331 -8.050 1.949
85 QG PRO 11 QG PRO 11 24.853 -6.302 1.755
86 QD PRO 11 QD PRO 11 23.465 -4.696 0.879
87 H ASN 12 HN ASN 12 20.200 -5.680 4.057
88 HA ASN 12 HA ASN 12 21.498 -6.213 6.665
89 2HB ASN 12 2HB ASN 12 22.237 -3.955 5.472
90 3HB ASN 12 3HB ASN 12 20.670 -3.364 6.012
91 1HD2 ASN 12 1HD2 ASN 12 23.572 -2.951 8.543
92 2HD2 ASN 12 2HD2 ASN 12 23.520 -2.711 6.805
93 QB ASN 12 QB ASN 12 21.454 -3.659 5.742
94 QD2 ASN 12 QD2 ASN 12 23.546 -2.831 7.674
95 H THR 13 HN THR 13 19.814 -7.240 7.658
96 HA THR 13 HA THR 13 17.093 -6.021 7.559
97 HB THR 13 HB THR 13 17.051 -7.682 5.870
98 HG1 THR 13 HG1 THR 13 15.255 -7.662 7.237
99 1HG2 THR 13 3HG2 THR 13 18.244 -9.655 7.856
100 2HG2 THR 13 2HG2 THR 13 17.528 -10.073 6.292
101 3HG2 THR 13 1HG2 THR 13 18.978 -9.065 6.347
102 QG2 THR 13 QG2 THR 13 18.250 -9.598 6.832
103 NH1 ARG 14 NH1 ARG 14 21.957 -3.066 16.542
104 NH2 ARG 14 NH2 ARG 14 20.135 -4.349 17.182
105 H ARG 14 HN ARG 14 18.306 -5.160 9.540
106 HA ARG 14 HA ARG 14 18.434 -7.071 11.742
107 2HB ARG 14 2HB ARG 14 19.866 -4.849 11.069
108 3HB ARG 14 3HB ARG 14 18.746 -4.107 12.205
109 1HG ARG 14 2HG ARG 14 20.094 -6.699 12.999
110 2HG ARG 14 3HG ARG 14 21.123 -5.303 12.808
111 1HD ARG 14 2HD ARG 14 18.692 -4.766 14.465
112 2HD ARG 14 3HD ARG 14 19.770 -6.023 15.092
113 HE ARG 14 HE ARG 14 21.210 -3.659 14.220
114 1HH1 ARG 14 1HH1 ARG 14 22.150 -2.860 17.501
115 2HH1 ARG 14 2HH1 ARG 14 22.542 -2.692 15.823
116 1HH2 ARG 14 1HH2 ARG 14 20.327 -4.143 18.142
117 2HH2 ARG 14 2HH2 ARG 14 19.360 -4.933 16.941
118 QB ARG 14 QB ARG 14 19.306 -4.478 11.637
119 QG ARG 14 QG ARG 14 20.608 -6.001 12.903
120 QD ARG 14 QD ARG 14 19.231 -5.394 14.778
121 QH1 ARG 14 QH1 ARG 14 22.346 -2.776 16.662
122 QH2 ARG 14 QH2 ARG 14 19.843 -4.538 17.541
123 H GLY 15 HN GLY 15 15.956 -5.310 10.333
124 1HA GLY 15 1HA GLY 15 13.710 -5.660 11.196
125 2HA GLY 15 2HA GLY 15 14.289 -5.329 12.835
126 QA GLY 15 QA GLY 15 14.000 -5.495 12.016
127 H ASN 16 HN ASN 16 15.960 -3.151 12.371
128 HA ASN 16 HA ASN 16 14.035 -1.046 11.529
129 2HB ASN 16 2HB ASN 16 14.796 -1.114 13.921
130 3HB ASN 16 3HB ASN 16 16.425 -0.732 13.354
131 1HD2 ASN 16 1HD2 ASN 16 16.467 1.316 14.480
132 2HD2 ASN 16 2HD2 ASN 16 15.433 2.646 13.987
133 QB ASN 16 QB ASN 16 15.611 -0.923 13.637
134 QD2 ASN 16 QD2 ASN 16 15.950 1.981 14.233
135 H SER 17 HN SER 17 15.791 -2.650 9.764
136 HA SER 17 HA SER 17 17.657 -0.650 8.652
137 2HB SER 17 2HB SER 17 17.006 -3.398 7.540
138 3HB SER 17 3HB SER 17 18.461 -2.427 7.304
139 HG SER 17 HG SER 17 18.956 -2.764 9.505
140 QB SER 17 QB SER 17 17.733 -2.912 7.422
141 H MET 18 HN MET 18 14.580 -2.354 7.852
142 HA MET 18 HA MET 18 14.586 -1.155 5.279
143 2HB MET 18 2HB MET 18 12.680 -2.487 4.688
144 3HB MET 18 3HB MET 18 13.542 -3.477 5.780
145 1HG MET 18 2HG MET 18 12.007 -2.172 7.593
146 2HG MET 18 3HG MET 18 11.013 -1.897 6.159
147 1HE MET 18 2HE MET 18 9.907 -3.752 4.749
148 2HE MET 18 3HE MET 18 11.412 -4.698 4.596
149 3HE MET 18 1HE MET 18 9.924 -5.480 5.181
150 QB MET 18 QB MET 18 13.111 -2.982 5.234
151 QG MET 18 QG MET 18 11.510 -2.034 6.876
152 QE MET 18 QE MET 18 10.414 -4.643 4.842
153 H SER 19 HN SER 19 12.237 -0.362 4.600
154 HA SER 19 HA SER 19 11.875 2.266 5.895
155 2HB SER 19 2HB SER 19 11.444 1.251 3.105
156 3HB SER 19 3HB SER 19 10.274 2.310 3.839
157 HG SER 19 HG SER 19 12.534 2.974 2.742
158 QB SER 19 QB SER 19 10.859 1.781 3.472
159 H GLY 20 HN GLY 20 9.937 -0.602 4.943
160 1HA GLY 20 1HA GLY 20 8.295 -1.332 6.560
161 2HA GLY 20 2HA GLY 20 7.869 0.320 6.938
162 QA GLY 20 QA GLY 20 8.082 -0.506 6.749
163 H THR 21 HN THR 21 6.168 1.251 5.681
164 HA THR 21 HA THR 21 5.012 -0.457 3.496
165 HB THR 21 HB THR 21 3.664 1.267 5.595
166 HG1 THR 21 HG1 THR 21 2.812 -0.787 6.147
167 1HG2 THR 21 2HG2 THR 21 2.420 -0.258 3.272
168 2HG2 THR 21 1HG2 THR 21 1.526 0.445 4.637
169 3HG2 THR 21 3HG2 THR 21 2.378 1.509 3.514
170 QG2 THR 21 QG2 THR 21 2.108 0.565 3.808
171 H ILE 22 HN ILE 22 4.683 0.500 1.555
172 HA ILE 22 HA ILE 22 5.624 3.222 1.136
173 HB ILE 22 HB ILE 22 4.339 1.268 -0.705
174 2HG1 ILE 22 2HG1 ILE 22 7.271 2.102 -0.630
175 3HG1 ILE 22 3HG1 ILE 22 6.626 0.730 0.271
176 1HG2 ILE 22 1HG2 ILE 22 5.728 3.891 -1.387
177 2HG2 ILE 22 2HG2 ILE 22 5.208 2.683 -2.576
178 3HG2 ILE 22 3HG2 ILE 22 4.001 3.532 -1.622
179 1HD1 ILE 22 2HD1 ILE 22 5.785 -0.350 -1.744
180 2HD1 ILE 22 3HD1 ILE 22 6.545 0.904 -2.746
181 3HD1 ILE 22 1HD1 ILE 22 7.541 -0.156 -1.741
182 QG1 ILE 22 QG1 ILE 22 6.949 1.416 -0.179
183 QG2 ILE 22 QG2 ILE 22 4.979 3.369 -1.862
184 QD1 ILE 22 QD1 ILE 22 6.624 0.133 -2.077
185 CH2 TRP 23 CH2 TRP 23 -0.902 2.976 5.074
186 H TRP 23 HN TRP 23 4.629 5.085 0.811
187 HA TRP 23 HA TRP 23 1.670 5.136 0.730
188 2HB TRP 23 2HB TRP 23 3.508 6.744 2.516
189 3HB TRP 23 3HB TRP 23 1.757 7.007 2.349
190 HD1 TRP 23 HD1 TRP 23 4.289 5.189 4.363
191 HE1 TRP 23 HE1 TRP 23 3.269 3.500 5.925
192 HE3 TRP 23 HE3 TRP 23 -0.517 5.305 2.603
193 HZ2 TRP 23 HZ2 TRP 23 0.676 2.300 6.391
194 HZ3 TRP 23 HZ3 TRP 23 -2.252 3.897 3.667
195 HH2 TRP 23 HH2 TRP 23 -1.665 2.364 5.532
196 QB TRP 23 QB TRP 23 2.632 6.876 2.432
197 H VAL 24 HN VAL 24 0.999 6.667 -0.723
198 HA VAL 24 HA VAL 24 3.105 7.995 -2.333
199 HB VAL 24 HB VAL 24 0.133 7.588 -2.774
200 1HG1 VAL 24 3HG1 VAL 24 2.284 8.728 -4.617
201 2HG1 VAL 24 1HG1 VAL 24 0.647 8.265 -5.125
202 3HG1 VAL 24 2HG1 VAL 24 0.866 9.600 -3.990
203 1HG2 VAL 24 3HG2 VAL 24 2.599 6.234 -3.953
204 2HG2 VAL 24 1HG2 VAL 24 1.412 5.481 -2.870
205 3HG2 VAL 24 2HG2 VAL 24 0.931 5.970 -4.497
206 QG1 VAL 24 QG1 VAL 24 1.266 8.864 -4.577
207 QG2 VAL 24 QG2 VAL 24 1.647 5.895 -3.773
208 QQG VAL 24 QQG VAL 24 1.457 7.380 -4.175
209 H PHE 25 HN PHE 25 0.685 8.744 0.087
210 HA PHE 25 HA PHE 25 1.249 11.635 -0.308
211 2HB PHE 25 2HB PHE 25 -1.377 10.258 0.584
212 3HB PHE 25 3HB PHE 25 -1.144 11.996 0.497
213 HD1 PHE 25 HD1 PHE 25 -2.007 13.082 -1.400
214 HD2 PHE 25 HD2 PHE 25 -1.284 8.841 -1.523
215 HE1 PHE 25 HE1 PHE 25 -3.211 12.929 -3.554
216 HE2 PHE 25 HE2 PHE 25 -2.341 8.721 -3.760
217 HZ PHE 25 HZ PHE 25 -3.330 10.765 -4.771
218 QB PHE 25 QB PHE 25 -1.260 11.127 0.540
219 QB PHE 25 QB PHE 25 -1.260 11.127 0.540
220 H GLY 26 HN GLY 26 -0.591 10.156 2.379
221 1HA GLY 26 1HA GLY 26 1.296 11.542 4.238
222 2HA GLY 26 2HA GLY 26 -0.473 11.611 4.372
223 QA GLY 26 QA GLY 26 0.412 11.576 4.305
224 H CYS 27 HN CYS 27 1.399 10.489 6.332
225 HA CYS 27 HA CYS 27 1.206 7.581 5.909
226 2HB CYS 27 2HB CYS 27 3.353 8.984 6.543
227 3HB CYS 27 3HB CYS 27 2.795 8.657 8.205
228 QB CYS 27 QB CYS 27 3.074 8.821 7.374
229 HA PRO 28 HA PRO 28 -1.985 7.624 9.089
230 2HB PRO 28 2HB PRO 28 -1.514 4.891 9.981
231 3HB PRO 28 3HB PRO 28 -2.858 5.531 9.005
232 1HG PRO 28 2HG PRO 28 -0.811 3.842 8.037
233 2HG PRO 28 3HG PRO 28 -1.918 4.838 7.052
234 1HD PRO 28 2HD PRO 28 0.923 5.357 7.781
235 2HD PRO 28 3HD PRO 28 -0.012 5.859 6.339
236 QB PRO 28 QB PRO 28 -2.186 5.211 9.493
237 QG PRO 28 QG PRO 28 -1.365 4.340 7.544
238 QD PRO 28 QD PRO 28 0.456 5.608 7.060
239 H SER 29 HN SER 29 -2.159 7.776 11.395
240 HA SER 29 HA SER 29 0.192 8.568 12.730
241 2HB SER 29 2HB SER 29 -2.289 9.098 13.272
242 3HB SER 29 3HB SER 29 -2.270 7.579 14.201
243 HG SER 29 HG SER 29 -1.675 9.559 15.372
244 QB SER 29 QB SER 29 -2.280 8.339 13.736
245 H GLY 30 HN GLY 30 1.712 7.459 13.891
246 1HA GLY 30 1HA GLY 30 2.355 5.512 15.277
247 2HA GLY 30 2HA GLY 30 1.423 4.478 14.194
248 QA GLY 30 QA GLY 30 1.889 4.995 14.736
249 CH2 TRP 31 CH2 TRP 31 3.676 -0.036 8.347
250 H TRP 31 HN TRP 31 2.287 6.129 11.794
251 HA TRP 31 HA TRP 31 4.720 4.531 11.323
252 2HB TRP 31 2HB TRP 31 2.731 5.989 9.579
253 3HB TRP 31 3HB TRP 31 4.152 5.125 9.011
254 HD1 TRP 31 HD1 TRP 31 0.811 4.265 10.735
255 HE1 TRP 31 HE1 TRP 31 0.249 1.844 10.134
256 HE3 TRP 31 HE3 TRP 31 5.129 3.075 8.406
257 HZ2 TRP 31 HZ2 TRP 31 1.609 -0.421 8.839
258 HZ3 TRP 31 HZ3 TRP 31 5.648 0.662 7.853
259 HH2 TRP 31 HH2 TRP 31 3.907 -1.069 8.127
260 QB TRP 31 QB TRP 31 3.441 5.557 9.295
261 H ASN 32 HN ASN 32 6.655 5.359 10.602
262 HA ASN 32 HA ASN 32 7.107 8.307 10.818
263 2HB ASN 32 2HB ASN 32 8.296 7.016 12.464
264 3HB ASN 32 3HB ASN 32 8.933 5.918 11.235
265 1HD2 ASN 32 1HD2 ASN 32 10.316 6.939 9.487
266 2HD2 ASN 32 2HD2 ASN 32 11.327 8.300 9.935
267 QB ASN 32 QB ASN 32 8.615 6.467 11.849
268 QD2 ASN 32 QD2 ASN 32 10.821 7.620 9.711
269 H ASN 33 HN ASN 33 7.076 9.201 8.852
270 HA ASN 33 HA ASN 33 7.615 8.330 6.311
271 2HB ASN 33 2HB ASN 33 8.503 11.016 7.420
272 3HB ASN 33 3HB ASN 33 8.018 10.651 5.769
273 1HD2 ASN 33 2HD2 ASN 33 6.038 11.696 5.368
274 2HD2 ASN 33 1HD2 ASN 33 4.751 11.797 6.558
275 QB ASN 33 QB ASN 33 8.260 10.833 6.595
276 QD2 ASN 33 QD2 ASN 33 5.394 11.747 5.963
277 H CYS 34 HN CYS 34 9.495 7.692 5.060
278 HA CYS 34 HA CYS 34 12.020 8.862 5.636
279 2HB CYS 34 2HB CYS 34 13.084 7.209 6.706
280 3HB CYS 34 3HB CYS 34 11.540 6.396 6.944
281 QB CYS 34 QB CYS 34 12.312 6.802 6.825
282 H GLU 35 HN GLU 35 13.562 7.716 3.967
283 HA GLU 35 HA GLU 35 12.296 7.711 1.322
284 2HB GLU 35 2HB GLU 35 14.367 8.508 0.386
285 3HB GLU 35 3HB GLU 35 13.748 9.654 1.579
286 1HG GLU 35 2HG GLU 35 15.774 9.742 2.463
287 2HG GLU 35 3HG GLU 35 15.608 8.076 2.998
288 QB GLU 35 QB GLU 35 14.057 9.081 0.983
289 QG GLU 35 QG GLU 35 15.691 8.909 2.730
290 H GLY 36 HN GLY 36 12.513 5.920 0.301
291 1HA GLY 36 1HA GLY 36 14.468 3.806 1.131
292 2HA GLY 36 2HA GLY 36 12.897 3.482 0.344
293 QA GLY 36 QA GLY 36 13.683 3.644 0.738
294 NH1 ARG 37 NH1 ARG 37 19.138 5.875 0.232
295 NH2 ARG 37 NH2 ARG 37 18.863 7.277 -1.579
296 H ARG 37 HN ARG 37 14.870 2.226 -0.821
297 HA ARG 37 HA ARG 37 15.994 3.955 -2.985
298 2HB ARG 37 2HB ARG 37 17.112 1.442 -1.746
299 3HB ARG 37 3HB ARG 37 17.823 2.385 -3.052
300 1HG ARG 37 2HG ARG 37 17.300 4.298 -1.066
301 2HG ARG 37 3HG ARG 37 17.766 2.900 -0.118
302 1HD ARG 37 2HD ARG 37 19.918 3.390 -0.545
303 2HD ARG 37 3HD ARG 37 19.661 2.954 -2.216
304 HE ARG 37 HE ARG 37 19.728 5.182 -2.844
305 1HH1 ARG 37 1HH1 ARG 37 18.892 6.627 0.844
306 2HH1 ARG 37 2HH1 ARG 37 19.341 4.971 0.607
307 1HH2 ARG 37 2HH2 ARG 37 18.859 7.422 -2.568
308 2HH2 ARG 37 1HH2 ARG 37 18.620 8.026 -0.963
309 QB ARG 37 QB ARG 37 17.468 1.913 -2.399
310 QG ARG 37 QG ARG 37 17.533 3.599 -0.592
311 QD ARG 37 QD ARG 37 19.789 3.172 -1.380
312 QH1 ARG 37 QH1 ARG 37 19.117 5.799 0.726
313 QH2 ARG 37 QH2 ARG 37 18.740 7.724 -1.765
314 H ALA 38 HN ALA 38 13.566 3.100 -3.372
315 HA ALA 38 HA ALA 38 13.663 1.907 -5.946
316 1HB ALA 38 2HB ALA 38 12.815 -0.078 -3.784
317 2HB ALA 38 3HB ALA 38 12.593 -0.321 -5.529
318 3HB ALA 38 1HB ALA 38 14.214 -0.245 -4.862
319 QB ALA 38 QB ALA 38 13.207 -0.215 -4.725
320 H ILE 39 HN ILE 39 12.357 4.160 -4.817
321 HA ILE 39 HA ILE 39 9.589 3.632 -5.497
322 HB ILE 39 HB ILE 39 8.870 4.752 -3.271
323 2HG1 ILE 39 2HG1 ILE 39 11.549 3.590 -2.344
324 3HG1 ILE 39 3HG1 ILE 39 11.064 5.295 -2.334
325 1HG2 ILE 39 3HG2 ILE 39 8.459 2.341 -4.048
326 2HG2 ILE 39 1HG2 ILE 39 9.756 1.891 -2.908
327 3HG2 ILE 39 2HG2 ILE 39 8.305 2.738 -2.345
328 1HD1 ILE 39 2HD1 ILE 39 9.178 4.608 -0.752
329 2HD1 ILE 39 3HD1 ILE 39 9.925 2.994 -0.677
330 3HD1 ILE 39 1HD1 ILE 39 10.824 4.406 -0.118
331 QG1 ILE 39 QG1 ILE 39 11.307 4.443 -2.339
332 QG2 ILE 39 QG2 ILE 39 8.840 2.323 -3.100
333 QD1 ILE 39 QD1 ILE 39 9.976 4.003 -0.516
334 H ILE 40 HN ILE 40 8.414 5.512 -5.854
335 HA ILE 40 HA ILE 40 10.089 7.773 -6.691
336 HB ILE 40 HB ILE 40 7.110 7.228 -7.067
337 2HG1 ILE 40 2HG1 ILE 40 8.056 7.024 -9.545
338 3HG1 ILE 40 3HG1 ILE 40 9.557 6.570 -8.739
339 1HG2 ILE 40 2HG2 ILE 40 7.802 9.676 -7.205
340 2HG2 ILE 40 3HG2 ILE 40 8.876 9.218 -8.538
341 3HG2 ILE 40 1HG2 ILE 40 7.121 9.002 -8.679
342 1HD1 ILE 40 2HD1 ILE 40 6.836 5.208 -8.398
343 2HD1 ILE 40 3HD1 ILE 40 8.144 4.649 -9.454
344 3HD1 ILE 40 1HD1 ILE 40 8.370 4.628 -7.705
345 QG1 ILE 40 QG1 ILE 40 8.807 6.797 -9.142
346 QG2 ILE 40 QG2 ILE 40 7.933 9.299 -8.141
347 QD1 ILE 40 QD1 ILE 40 7.783 4.828 -8.519
348 H GLY 41 HN GLY 41 7.223 7.207 -4.589
349 1HA GLY 41 1HA GLY 41 7.027 9.970 -3.805
350 2HA GLY 41 2HA GLY 41 6.134 8.604 -3.136
351 QA GLY 41 QA GLY 41 6.581 9.287 -3.470
352 OH TYR 42 OH TYR 42 3.094 8.988 3.958
353 H TYR 42 HN TYR 42 6.857 7.577 -1.276
354 HA TYR 42 HA TYR 42 9.340 8.007 0.054
355 2HB TYR 42 2HB TYR 42 8.751 9.425 1.748
356 3HB TYR 42 3HB TYR 42 7.964 10.224 0.406
357 HD1 TYR 42 HD1 TYR 42 5.360 9.393 0.037
358 HD2 TYR 42 HD2 TYR 42 7.590 9.343 3.730
359 HE1 TYR 42 HE1 TYR 42 3.255 9.231 1.317
360 HE2 TYR 42 HE2 TYR 42 5.466 9.309 4.994
361 HH TYR 42 HH TYR 42 2.356 8.713 3.411
362 QB TYR 42 QB TYR 42 8.358 9.825 1.077
363 QB TYR 42 QB TYR 42 8.358 9.825 1.077
364 H CYS 43 HN CYS 43 9.084 6.836 2.307
365 HA CYS 43 HA CYS 43 6.853 4.806 2.159
366 2HB CYS 43 2HB CYS 43 9.551 4.094 1.715
367 3HB CYS 43 3HB CYS 43 9.278 3.939 3.446
368 QB CYS 43 QB CYS 43 9.415 4.016 2.580
369 H CYS 44 HN CYS 44 6.689 3.775 4.515
370 HA CYS 44 HA CYS 44 7.847 5.616 6.536
371 2HB CYS 44 2HB CYS 44 5.036 4.620 6.657
372 3HB CYS 44 3HB CYS 44 5.919 5.484 7.933
373 QB CYS 44 QB CYS 44 5.477 5.052 7.295
374 H LYS 45 HN LYS 45 8.426 4.699 8.441
375 HA LYS 45 HA LYS 45 8.442 1.739 8.592
376 2HB LYS 45 2HB LYS 45 10.415 3.689 8.952
377 3HB LYS 45 3HB LYS 45 9.988 3.262 10.601
378 1HG LYS 45 2HG LYS 45 10.843 1.376 8.352
379 2HG LYS 45 3HG LYS 45 11.897 1.931 9.589
380 1HD LYS 45 2HD LYS 45 9.395 0.485 10.531
381 2HD LYS 45 3HD LYS 45 10.534 -0.448 9.569
382 2HE LYS 45 2HE LYS 45 11.074 -0.656 11.964
383 3HE LYS 45 3HE LYS 45 12.343 0.098 10.988
384 1HZ LYS 45 3HZ LYS 45 11.309 2.252 11.745
385 2HZ LYS 45 1HZ LYS 45 10.608 1.375 12.931
386 3HZ LYS 45 2HZ LYS 45 12.236 1.429 12.808
387 QB LYS 45 QB LYS 45 10.201 3.476 9.776
388 QG LYS 45 QG LYS 45 11.370 1.653 8.970
389 QD LYS 45 QD LYS 45 9.965 0.019 10.050
390 QE LYS 45 QE LYS 45 11.708 -0.279 11.476
391 QZ LYS 45 QZ LYS 45 10.961 1.850 12.366
392 H GLN 46 HN GLN 46 7.289 0.659 10.032
393 HA GLN 46 HA GLN 46 5.387 1.977 11.721
394 2HB GLN 46 2HB GLN 46 5.531 -0.412 10.409
395 3HB GLN 46 3HB GLN 46 5.931 -0.994 12.003
396 1HG GLN 46 2HG GLN 46 3.519 0.769 11.368
397 2HG GLN 46 3HG GLN 46 3.473 -0.993 11.314
398 1HE2 GLN 46 2HE2 GLN 46 3.626 -2.193 13.311
399 2HE2 GLN 46 1HE2 GLN 46 3.318 -1.382 14.837
400 QB GLN 46 QB GLN 46 5.731 -0.703 11.206
401 QG GLN 46 QG GLN 46 3.496 -0.112 11.341
402 QE2 GLN 46 QE2 GLN 46 3.472 -1.788 14.074
Start of MODEL 4
Raw file had 402 H/Q atoms
1 1H GLY 1 2HN GLY 1 -7.777 2.422 6.353
2 2H GLY 1 3HN GLY 1 -7.882 1.086 7.326
3 3H GLY 1 1HN GLY 1 -7.847 2.599 7.998
4 1HA GLY 1 1HA GLY 1 -5.709 1.797 8.342
5 2HA GLY 1 2HA GLY 1 -5.670 1.140 6.689
6 QA GLY 1 QA GLY 1 -5.690 1.469 7.516
7 H ALA 2 HN ALA 2 -3.618 2.889 7.502
8 HA ALA 2 HA ALA 2 -4.270 5.552 6.374
9 1HB ALA 2 3HB ALA 2 -2.951 5.402 8.464
10 2HB ALA 2 1HB ALA 2 -1.709 4.459 7.607
11 3HB ALA 2 2HB ALA 2 -2.023 6.147 7.153
12 QB ALA 2 QB ALA 2 -2.228 5.336 7.741
13 H ALA 3 HN ALA 3 -2.260 6.358 5.001
14 HA ALA 3 HA ALA 3 -2.256 4.874 2.579
15 1HB ALA 3 3HB ALA 3 -0.673 7.299 3.399
16 2HB ALA 3 1HB ALA 3 -0.697 6.592 1.769
17 3HB ALA 3 2HB ALA 3 -2.184 7.242 2.481
18 QB ALA 3 QB ALA 3 -1.185 7.044 2.550
19 H CYS 4 HN CYS 4 -0.416 3.707 1.645
20 HA CYS 4 HA CYS 4 2.113 3.482 3.207
21 2HB CYS 4 2HB CYS 4 2.262 1.251 3.112
22 3HB CYS 4 3HB CYS 4 0.548 1.407 3.440
23 QB CYS 4 QB CYS 4 1.405 1.329 3.276
24 H LEU 5 HN LEU 5 3.834 2.605 1.942
25 HA LEU 5 HA LEU 5 4.304 3.839 -0.556
26 2HB LEU 5 2HB LEU 5 5.881 1.568 0.659
27 3HB LEU 5 3HB LEU 5 6.407 2.754 -0.528
28 HG LEU 5 HG LEU 5 5.470 4.242 1.766
29 1HD1 LEU 5 1HD1 LEU 5 5.770 2.071 3.011
30 2HD1 LEU 5 2HD1 LEU 5 7.469 2.063 2.488
31 3HD1 LEU 5 3HD1 LEU 5 6.870 3.350 3.553
32 1HD2 LEU 5 2HD2 LEU 5 8.280 3.687 0.742
33 2HD2 LEU 5 3HD2 LEU 5 7.185 4.989 0.217
34 3HD2 LEU 5 1HD2 LEU 5 7.808 4.968 1.881
35 QB LEU 5 QB LEU 5 6.144 2.161 0.065
36 QD1 LEU 5 QD1 LEU 5 6.703 2.495 3.017
37 QD2 LEU 5 QD2 LEU 5 7.758 4.548 0.947
38 QQD LEU 5 QQD LEU 5 7.230 3.521 1.982
39 H CYS 6 HN CYS 6 3.603 3.127 -2.474
40 HA CYS 6 HA CYS 6 2.486 0.410 -2.918
41 2HB CYS 6 2HB CYS 6 1.940 3.195 -3.806
42 3HB CYS 6 3HB CYS 6 1.969 2.049 -5.133
43 QB CYS 6 QB CYS 6 1.954 2.622 -4.470
44 H LYS 7 HN LYS 7 2.845 -0.489 -5.256
45 HA LYS 7 HA LYS 7 5.658 -0.876 -5.407
46 2HB LYS 7 2HB LYS 7 4.227 -2.707 -5.807
47 3HB LYS 7 3HB LYS 7 3.448 -1.946 -7.202
48 1HG LYS 7 2HG LYS 7 5.323 -2.307 -8.620
49 2HG LYS 7 3HG LYS 7 6.429 -2.315 -7.234
50 1HD LYS 7 2HD LYS 7 5.384 -4.550 -6.504
51 2HD LYS 7 3HD LYS 7 4.695 -4.603 -8.118
52 2HE LYS 7 2HE LYS 7 6.683 -5.701 -8.555
53 3HE LYS 7 3HE LYS 7 7.237 -4.050 -8.848
54 1HZ LYS 7 1HZ LYS 7 7.988 -4.072 -6.513
55 2HZ LYS 7 2HZ LYS 7 7.609 -5.658 -6.423
56 3HZ LYS 7 3HZ LYS 7 8.760 -5.151 -7.464
57 QB LYS 7 QB LYS 7 3.838 -2.326 -6.504
58 QG LYS 7 QG LYS 7 5.876 -2.311 -7.927
59 QD LYS 7 QD LYS 7 5.040 -4.576 -7.311
60 QE LYS 7 QE LYS 7 6.960 -4.876 -8.701
61 QZ LYS 7 QZ LYS 7 8.406 -4.618 -6.955
62 H SER 8 HN SER 8 3.962 1.642 -6.643
63 HA SER 8 HA SER 8 5.372 2.400 -8.969
64 2HB SER 8 2HB SER 8 3.410 3.523 -7.753
65 3HB SER 8 3HB SER 8 4.603 4.177 -6.612
66 HG SER 8 HG SER 8 4.138 5.602 -8.356
67 QB SER 8 QB SER 8 4.006 3.850 -7.182
68 H ASP 9 HN ASP 9 6.318 2.291 -5.488
69 HA ASP 9 HA ASP 9 8.838 3.706 -6.084
70 2HB ASP 9 2HB ASP 9 7.071 3.769 -3.963
71 3HB ASP 9 3HB ASP 9 8.275 2.676 -3.331
72 QB ASP 9 QB ASP 9 7.673 3.223 -3.647
73 H GLY 10 HN GLY 10 10.569 2.766 -4.316
74 1HA GLY 10 1HA GLY 10 10.946 -0.155 -4.738
75 2HA GLY 10 2HA GLY 10 12.220 0.936 -5.270
76 QA GLY 10 QA GLY 10 11.583 0.391 -5.004
77 HA PRO 11 HA PRO 11 13.657 0.793 -1.063
78 2HB PRO 11 2HB PRO 11 15.030 3.139 -0.738
79 3HB PRO 11 3HB PRO 11 15.563 1.855 -1.860
80 1HG PRO 11 2HG PRO 11 13.992 4.358 -2.522
81 2HG PRO 11 3HG PRO 11 15.430 3.706 -3.363
82 1HD PRO 11 2HD PRO 11 12.859 3.262 -4.226
83 2HD PRO 11 3HD PRO 11 14.153 2.046 -4.437
84 QB PRO 11 QB PRO 11 15.297 2.497 -1.299
85 QG PRO 11 QG PRO 11 14.711 4.032 -2.943
86 QD PRO 11 QD PRO 11 13.506 2.654 -4.332
87 H ASN 12 HN ASN 12 13.405 1.780 1.123
88 HA ASN 12 HA ASN 12 10.741 2.814 1.487
89 2HB ASN 12 2HB ASN 12 11.659 1.352 3.159
90 3HB ASN 12 3HB ASN 12 13.061 2.408 3.400
91 1HD2 ASN 12 2HD2 ASN 12 9.463 3.933 4.758
92 2HD2 ASN 12 1HD2 ASN 12 9.469 3.067 3.236
93 QB ASN 12 QB ASN 12 12.360 1.880 3.280
94 QD2 ASN 12 QD2 ASN 12 9.466 3.500 3.997
95 H THR 13 HN THR 13 10.825 4.747 0.167
96 HA THR 13 HA THR 13 12.448 6.981 0.975
97 HB THR 13 HB THR 13 11.438 6.593 -1.284
98 HG1 THR 13 HG1 THR 13 11.302 8.752 -1.621
99 1HG2 THR 13 2HG2 THR 13 9.111 6.062 -0.455
100 2HG2 THR 13 1HG2 THR 13 8.916 7.783 -0.062
101 3HG2 THR 13 3HG2 THR 13 9.182 7.260 -1.748
102 QG2 THR 13 QG2 THR 13 9.070 7.035 -0.755
103 NH1 ARG 14 NH1 ARG 14 7.992 12.336 7.602
104 NH2 ARG 14 NH2 ARG 14 8.270 10.583 9.097
105 H ARG 14 HN ARG 14 11.672 9.031 1.896
106 HA ARG 14 HA ARG 14 10.220 8.522 4.330
107 2HB ARG 14 2HB ARG 14 12.344 10.009 3.750
108 3HB ARG 14 3HB ARG 14 11.168 11.296 3.525
109 1HG ARG 14 2HG ARG 14 11.317 9.498 5.979
110 2HG ARG 14 3HG ARG 14 12.322 10.935 5.810
111 1HD ARG 14 2HD ARG 14 10.587 12.430 6.092
112 2HD ARG 14 3HD ARG 14 9.364 11.313 5.466
113 HE ARG 14 HE ARG 14 10.478 10.309 7.908
114 1HH1 ARG 14 1HH1 ARG 14 7.129 12.580 8.045
115 2HH1 ARG 14 2HH1 ARG 14 8.319 12.863 6.818
116 1HH2 ARG 14 1HH2 ARG 14 7.408 10.823 9.543
117 2HH2 ARG 14 2HH2 ARG 14 8.804 9.804 9.426
118 QB ARG 14 QB ARG 14 11.756 10.653 3.638
119 QG ARG 14 QG ARG 14 11.819 10.217 5.894
120 QD ARG 14 QD ARG 14 9.976 11.872 5.779
121 QH1 ARG 14 QH1 ARG 14 7.724 12.722 7.431
122 QH2 ARG 14 QH2 ARG 14 8.106 10.314 9.485
123 H GLY 15 HN GLY 15 8.288 7.907 2.899
124 1HA GLY 15 1HA GLY 15 6.043 8.297 2.550
125 2HA GLY 15 2HA GLY 15 6.218 9.747 3.553
126 QA GLY 15 QA GLY 15 6.131 9.022 3.052
127 H ASN 16 HN ASN 16 7.086 8.585 0.288
128 HA ASN 16 HA ASN 16 6.264 11.230 -0.871
129 2HB ASN 16 2HB ASN 16 8.729 10.925 -0.803
130 3HB ASN 16 3HB ASN 16 8.569 9.481 -1.807
131 1HD2 ASN 16 2HD2 ASN 16 8.521 11.401 -4.767
132 2HD2 ASN 16 1HD2 ASN 16 8.806 9.841 -4.019
133 QB ASN 16 QB ASN 16 8.649 10.203 -1.305
134 QD2 ASN 16 QD2 ASN 16 8.663 10.621 -4.393
135 H SER 17 HN SER 17 6.904 7.791 -1.787
136 HA SER 17 HA SER 17 4.669 7.955 -3.754
137 2HB SER 17 2HB SER 17 7.085 7.233 -4.329
138 3HB SER 17 3HB SER 17 6.675 5.767 -3.436
139 HG SER 17 HG SER 17 6.336 5.761 -5.773
140 QB SER 17 QB SER 17 6.880 6.500 -3.882
141 H MET 18 HN MET 18 4.203 7.809 -0.872
142 HA MET 18 HA MET 18 2.827 5.249 -0.663
143 2HB MET 18 2HB MET 18 2.352 5.672 1.609
144 3HB MET 18 3HB MET 18 4.006 6.256 1.389
145 1HG MET 18 2HG MET 18 2.860 8.518 1.005
146 2HG MET 18 3HG MET 18 1.393 7.785 1.691
147 1HE MET 18 1HE MET 18 2.256 6.036 3.947
148 2HE MET 18 2HE MET 18 2.713 7.012 5.359
149 3HE MET 18 3HE MET 18 1.220 7.385 4.488
150 QB MET 18 QB MET 18 3.179 5.964 1.499
151 QG MET 18 QG MET 18 2.126 8.151 1.348
152 QE MET 18 QE MET 18 2.063 6.811 4.598
153 H SER 19 HN SER 19 0.819 4.984 -1.193
154 HA SER 19 HA SER 19 -1.177 7.037 -0.889
155 2HB SER 19 2HB SER 19 -1.867 7.153 -3.332
156 3HB SER 19 3HB SER 19 -0.397 8.029 -2.912
157 HG SER 19 HG SER 19 0.825 6.327 -3.731
158 QB SER 19 QB SER 19 -1.132 7.591 -3.122
159 H GLY 20 HN GLY 20 -0.405 3.902 -0.646
160 1HA GLY 20 1HA GLY 20 -2.961 2.821 -1.711
161 2HA GLY 20 2HA GLY 20 -1.598 1.930 -1.037
162 QA GLY 20 QA GLY 20 -2.280 2.375 -1.374
163 H THR 21 HN THR 21 -4.658 2.326 -0.296
164 HA THR 21 HA THR 21 -4.447 2.997 2.553
165 HB THR 21 HB THR 21 -6.645 1.575 1.071
166 HG1 THR 21 HG1 THR 21 -6.123 4.351 1.498
167 1HG2 THR 21 1HG2 THR 21 -6.912 1.454 3.488
168 2HG2 THR 21 3HG2 THR 21 -6.754 3.229 3.609
169 3HG2 THR 21 2HG2 THR 21 -8.135 2.505 2.758
170 QG2 THR 21 QG2 THR 21 -7.267 2.396 3.285
171 H ILE 22 HN ILE 22 -3.613 1.612 3.968
172 HA ILE 22 HA ILE 22 -2.910 -1.131 3.473
173 HB ILE 22 HB ILE 22 -3.072 0.654 5.856
174 2HG1 ILE 22 2HG1 ILE 22 -0.726 -0.955 4.789
175 3HG1 ILE 22 3HG1 ILE 22 -1.233 0.612 4.135
176 1HG2 ILE 22 1HG2 ILE 22 -2.444 -2.328 6.013
177 2HG2 ILE 22 2HG2 ILE 22 -2.109 -1.168 7.308
178 3HG2 ILE 22 3HG2 ILE 22 -3.767 -1.480 6.847
179 1HD1 ILE 22 2HD1 ILE 22 -0.872 1.703 6.300
180 2HD1 ILE 22 3HD1 ILE 22 -0.379 0.159 7.033
181 3HD1 ILE 22 1HD1 ILE 22 0.607 0.886 5.764
182 QG1 ILE 22 QG1 ILE 22 -0.979 -0.171 4.462
183 QG2 ILE 22 QG2 ILE 22 -2.773 -1.659 6.723
184 QD1 ILE 22 QD1 ILE 22 -0.215 0.916 6.366
185 CH2 TRP 23 CH2 TRP 23 -11.391 -1.234 2.742
186 H TRP 23 HN TRP 23 -3.900 -3.032 3.990
187 HA TRP 23 HA TRP 23 -6.596 -3.071 5.279
188 2HB TRP 23 2HB TRP 23 -5.766 -4.002 2.581
189 3HB TRP 23 3HB TRP 23 -7.237 -4.608 3.405
190 HD1 TRP 23 HD1 TRP 23 -5.969 -2.025 1.168
191 HE1 TRP 23 HE1 TRP 23 -7.845 -0.370 0.479
192 HE3 TRP 23 HE3 TRP 23 -9.541 -3.685 4.252
193 HZ2 TRP 23 HZ2 TRP 23 -10.635 0.070 1.199
194 HZ3 TRP 23 HZ3 TRP 23 -11.857 -2.713 4.245
195 HH2 TRP 23 HH2 TRP 23 -12.392 -0.827 2.716
196 QB TRP 23 QB TRP 23 -6.502 -4.305 2.993
197 H VAL 24 HN VAL 24 -7.083 -5.323 5.786
198 HA VAL 24 HA VAL 24 -4.626 -6.877 6.450
199 HB VAL 24 HB VAL 24 -7.419 -6.914 7.651
200 1HG1 VAL 24 1HG1 VAL 24 -4.780 -8.131 8.589
201 2HG1 VAL 24 2HG1 VAL 24 -6.281 -8.072 9.534
202 3HG1 VAL 24 3HG1 VAL 24 -6.216 -9.031 8.048
203 1HG2 VAL 24 2HG2 VAL 24 -4.838 -5.536 8.535
204 2HG2 VAL 24 3HG2 VAL 24 -6.348 -4.731 8.068
205 3HG2 VAL 24 1HG2 VAL 24 -6.289 -5.693 9.542
206 QG1 VAL 24 QG1 VAL 24 -5.759 -8.411 8.724
207 QG2 VAL 24 QG2 VAL 24 -5.825 -5.320 8.715
208 QQG VAL 24 QQG VAL 24 -5.792 -6.866 8.719
209 H PHE 25 HN PHE 25 -7.778 -7.102 4.800
210 HA PHE 25 HA PHE 25 -7.545 -9.983 4.478
211 2HB PHE 25 2HB PHE 25 -9.666 -7.963 3.569
212 3HB PHE 25 3HB PHE 25 -9.809 -9.715 3.419
213 HD1 PHE 25 HD1 PHE 25 -12.033 -8.478 4.395
214 HD2 PHE 25 HD2 PHE 25 -8.460 -9.455 6.626
215 HE1 PHE 25 HE1 PHE 25 -13.359 -8.607 6.476
216 HE2 PHE 25 HE2 PHE 25 -9.793 -9.524 8.702
217 HZ PHE 25 HZ PHE 25 -12.246 -9.131 8.635
218 QB PHE 25 QB PHE 25 -9.738 -8.839 3.494
219 QB PHE 25 QB PHE 25 -9.738 -8.839 3.494
220 H GLY 26 HN GLY 26 -8.732 -7.852 1.877
221 1HA GLY 26 1HA GLY 26 -6.642 -8.607 0.015
222 2HA GLY 26 2HA GLY 26 -8.175 -9.483 -0.210
223 QA GLY 26 QA GLY 26 -7.409 -9.045 -0.097
224 H CYS 27 HN CYS 27 -6.888 -7.328 -1.894
225 HA CYS 27 HA CYS 27 -7.896 -4.762 -1.330
226 2HB CYS 27 2HB CYS 27 -5.968 -5.299 -2.782
227 3HB CYS 27 3HB CYS 27 -7.070 -5.873 -4.021
228 QB CYS 27 QB CYS 27 -6.519 -5.586 -3.401
229 HA PRO 28 HA PRO 28 -11.986 -6.087 -2.414
230 2HB PRO 28 2HB PRO 28 -13.477 -3.794 -1.808
231 3HB PRO 28 3HB PRO 28 -12.951 -5.060 -0.670
232 1HG PRO 28 2HG PRO 28 -11.872 -2.321 -0.991
233 2HG PRO 28 3HG PRO 28 -11.757 -3.426 0.401
234 1HD PRO 28 2HD PRO 28 -9.812 -2.845 -1.578
235 2HD PRO 28 3HD PRO 28 -9.671 -4.046 -0.266
236 QB PRO 28 QB PRO 28 -13.214 -4.427 -1.239
237 QG PRO 28 QG PRO 28 -11.814 -2.874 -0.295
238 QD PRO 28 QD PRO 28 -9.741 -3.445 -0.922
239 H SER 29 HN SER 29 -13.825 -5.616 -3.877
240 HA SER 29 HA SER 29 -12.849 -5.097 -6.454
241 2HB SER 29 2HB SER 29 -14.944 -6.420 -5.799
242 3HB SER 29 3HB SER 29 -15.773 -4.854 -5.655
243 HG SER 29 HG SER 29 -14.564 -6.020 -7.951
244 QB SER 29 QB SER 29 -15.358 -5.637 -5.727
245 H GLY 30 HN GLY 30 -12.935 -3.320 -7.834
246 1HA GLY 30 1HA GLY 30 -13.336 -1.098 -8.462
247 2HA GLY 30 2HA GLY 30 -13.927 -0.702 -6.848
248 QA GLY 30 QA GLY 30 -13.632 -0.900 -7.655
249 CH2 TRP 31 CH2 TRP 31 -9.110 2.413 -0.347
250 H TRP 31 HN TRP 31 -11.301 -2.283 -5.849
251 HA TRP 31 HA TRP 31 -9.508 0.100 -5.996
252 2HB TRP 31 2HB TRP 31 -9.555 -2.235 -4.140
253 3HB TRP 31 3HB TRP 31 -8.397 -0.896 -4.261
254 HD1 TRP 31 HD1 TRP 31 -12.265 -0.779 -3.857
255 HE1 TRP 31 HE1 TRP 31 -12.772 0.825 -1.949
256 HE3 TRP 31 HE3 TRP 31 -7.489 0.476 -2.646
257 HZ2 TRP 31 HZ2 TRP 31 -11.228 2.465 -0.033
258 HZ3 TRP 31 HZ3 TRP 31 -7.045 2.201 -0.965
259 HH2 TRP 31 HH2 TRP 31 -8.917 3.148 0.418
260 QB TRP 31 QB TRP 31 -8.976 -1.566 -4.201
261 H ASN 32 HN ASN 32 -7.078 -0.629 -5.879
262 HA ASN 32 HA ASN 32 -6.487 -2.767 -7.901
263 2HB ASN 32 2HB ASN 32 -6.202 -0.641 -8.983
264 3HB ASN 32 3HB ASN 32 -5.369 0.043 -7.581
265 1HD2 ASN 32 1HD2 ASN 32 -3.162 -0.559 -7.147
266 2HD2 ASN 32 2HD2 ASN 32 -2.221 -1.445 -8.321
267 QB ASN 32 QB ASN 32 -5.786 -0.299 -8.282
268 QD2 ASN 32 QD2 ASN 32 -2.691 -1.002 -7.734
269 H ASN 33 HN ASN 33 -5.189 -4.327 -7.016
270 HA ASN 33 HA ASN 33 -4.284 -4.284 -4.350
271 2HB ASN 33 2HB ASN 33 -4.667 -6.344 -5.603
272 3HB ASN 33 3HB ASN 33 -3.375 -5.927 -6.741
273 1HD2 ASN 33 1HD2 ASN 33 -3.824 -6.278 -3.135
274 2HD2 ASN 33 2HD2 ASN 33 -2.286 -7.100 -2.930
275 QB ASN 33 QB ASN 33 -4.021 -6.135 -6.172
276 QD2 ASN 33 QD2 ASN 33 -3.055 -6.689 -3.033
277 H CYS 34 HN CYS 34 -2.318 -3.797 -3.283
278 HA CYS 34 HA CYS 34 -0.051 -2.883 -4.962
279 2HB CYS 34 2HB CYS 34 -1.829 -1.065 -3.785
280 3HB CYS 34 3HB CYS 34 -0.497 -1.131 -2.640
281 QB CYS 34 QB CYS 34 -1.163 -1.098 -3.213
282 H GLU 35 HN GLU 35 1.200 -4.638 -4.446
283 HA GLU 35 HA GLU 35 1.558 -5.519 -1.721
284 2HB GLU 35 2HB GLU 35 3.090 -7.120 -2.717
285 3HB GLU 35 3HB GLU 35 1.561 -7.017 -3.588
286 1HG GLU 35 2HG GLU 35 2.881 -5.363 -5.200
287 2HG GLU 35 3HG GLU 35 4.303 -6.115 -4.466
288 QB GLU 35 QB GLU 35 2.326 -7.069 -3.152
289 QG GLU 35 QG GLU 35 3.592 -5.739 -4.833
290 H GLY 36 HN GLY 36 2.070 -3.264 -0.912
291 1HA GLY 36 1HA GLY 36 4.560 -1.990 -1.506
292 2HA GLY 36 2HA GLY 36 3.565 -1.778 -0.049
293 QA GLY 36 QA GLY 36 4.063 -1.884 -0.778
294 NH1 ARG 37 NH1 ARG 37 9.470 -7.715 2.747
295 NH2 ARG 37 NH2 ARG 37 11.687 -8.347 2.505
296 H ARG 37 HN ARG 37 6.656 -2.474 -0.810
297 HA ARG 37 HA ARG 37 7.011 -4.693 1.123
298 2HB ARG 37 2HB ARG 37 8.190 -4.469 -1.150
299 3HB ARG 37 3HB ARG 37 9.234 -3.284 -0.373
300 1HG ARG 37 2HG ARG 37 8.791 -6.211 0.392
301 2HG ARG 37 3HG ARG 37 10.213 -5.516 -0.388
302 1HD ARG 37 2HD ARG 37 10.662 -4.155 1.657
303 2HD ARG 37 3HD ARG 37 9.360 -4.980 2.506
304 HE ARG 37 HE ARG 37 12.024 -5.938 1.877
305 1HH1 ARG 37 2HH1 ARG 37 8.756 -7.017 2.683
306 2HH1 ARG 37 1HH1 ARG 37 9.239 -8.641 3.047
307 1HH2 ARG 37 1HH2 ARG 37 11.456 -9.273 2.805
308 2HH2 ARG 37 2HH2 ARG 37 12.630 -8.121 2.260
309 QB ARG 37 QB ARG 37 8.712 -3.876 -0.762
310 QG ARG 37 QG ARG 37 9.502 -5.864 0.002
311 QD ARG 37 QD ARG 37 10.011 -4.568 2.082
312 QH1 ARG 37 QH1 ARG 37 8.998 -7.829 2.865
313 QH2 ARG 37 QH2 ARG 37 12.043 -8.697 2.533
314 H ALA 38 HN ALA 38 6.019 -3.084 2.755
315 HA ALA 38 HA ALA 38 8.051 -2.610 4.665
316 1HB ALA 38 2HB ALA 38 7.075 -0.076 3.300
317 2HB ALA 38 3HB ALA 38 7.873 -0.081 4.886
318 3HB ALA 38 1HB ALA 38 8.764 -0.599 3.475
319 QB ALA 38 QB ALA 38 7.904 -0.252 3.887
320 H ILE 39 HN ILE 39 5.615 -3.990 4.708
321 HA ILE 39 HA ILE 39 4.082 -2.661 6.784
322 HB ILE 39 HB ILE 39 1.934 -2.852 5.544
323 2HG1 ILE 39 2HG1 ILE 39 3.756 -3.663 3.267
324 3HG1 ILE 39 3HG1 ILE 39 2.321 -4.480 3.884
325 1HG2 ILE 39 1HG2 ILE 39 3.185 -0.677 5.666
326 2HG2 ILE 39 2HG2 ILE 39 3.764 -0.988 4.010
327 3HG2 ILE 39 3HG2 ILE 39 2.032 -0.824 4.346
328 1HD1 ILE 39 3HD1 ILE 39 0.968 -2.514 3.066
329 2HD1 ILE 39 1HD1 ILE 39 2.442 -1.892 2.276
330 3HD1 ILE 39 2HD1 ILE 39 1.778 -3.450 1.778
331 QG1 ILE 39 QG1 ILE 39 3.039 -4.071 3.576
332 QG2 ILE 39 QG2 ILE 39 2.994 -0.830 4.674
333 QD1 ILE 39 QD1 ILE 39 1.729 -2.619 2.373
334 H ILE 40 HN ILE 40 2.163 -4.215 7.309
335 HA ILE 40 HA ILE 40 3.421 -6.840 7.705
336 HB ILE 40 HB ILE 40 0.892 -5.624 8.911
337 2HG1 ILE 40 2HG1 ILE 40 2.378 -5.684 11.009
338 3HG1 ILE 40 3HG1 ILE 40 3.763 -5.796 9.921
339 1HG2 ILE 40 1HG2 ILE 40 2.442 -8.145 9.629
340 2HG2 ILE 40 2HG2 ILE 40 1.064 -7.480 10.529
341 3HG2 ILE 40 3HG2 ILE 40 0.824 -8.100 8.902
342 1HD1 ILE 40 3HD1 ILE 40 1.674 -3.558 9.845
343 2HD1 ILE 40 1HD1 ILE 40 3.162 -3.492 10.805
344 3HD1 ILE 40 2HD1 ILE 40 3.268 -3.555 9.050
345 QG1 ILE 40 QG1 ILE 40 3.070 -5.740 10.465
346 QG2 ILE 40 QG2 ILE 40 1.443 -7.908 9.687
347 QD1 ILE 40 QD1 ILE 40 2.701 -3.535 9.900
348 H GLY 41 HN GLY 41 0.064 -5.792 6.911
349 1HA GLY 41 1HA GLY 41 -0.580 -8.462 5.944
350 2HA GLY 41 2HA GLY 41 -1.663 -7.069 6.061
351 QA GLY 41 QA GLY 41 -1.122 -7.766 6.003
352 OH TYR 42 OH TYR 42 -7.113 -5.194 0.882
353 H TYR 42 HN TYR 42 -2.044 -5.781 4.202
354 HA TYR 42 HA TYR 42 -0.171 -5.851 2.008
355 2HB TYR 42 2HB TYR 42 -1.341 -7.024 0.430
356 3HB TYR 42 3HB TYR 42 -1.664 -8.017 1.833
357 HD1 TYR 42 HD1 TYR 42 -3.944 -7.564 3.111
358 HD2 TYR 42 HD2 TYR 42 -3.002 -5.986 -0.784
359 HE1 TYR 42 HE1 TYR 42 -6.223 -6.633 2.903
360 HE2 TYR 42 HE2 TYR 42 -5.213 -4.958 -0.885
361 HH TYR 42 HH TYR 42 -7.767 -5.501 1.513
362 QB TYR 42 QB TYR 42 -1.503 -7.521 1.132
363 QB TYR 42 QB TYR 42 -1.503 -7.521 1.132
364 H CYS 43 HN CYS 43 -1.057 -4.342 0.205
365 HA CYS 43 HA CYS 43 -2.637 -2.137 1.502
366 2HB CYS 43 2HB CYS 43 0.019 -2.067 1.143
367 3HB CYS 43 3HB CYS 43 -0.468 -1.504 -0.435
368 QB CYS 43 QB CYS 43 -0.225 -1.786 0.354
369 H CYS 44 HN CYS 44 -3.714 -0.770 -0.071
370 HA CYS 44 HA CYS 44 -4.308 -2.064 -2.693
371 2HB CYS 44 2HB CYS 44 -5.705 -2.871 -0.793
372 3HB CYS 44 3HB CYS 44 -6.216 -1.156 -0.666
373 QB CYS 44 QB CYS 44 -5.960 -2.013 -0.729
374 H LYS 45 HN LYS 45 -4.380 -0.445 -4.232
375 HA LYS 45 HA LYS 45 -4.237 2.400 -3.400
376 2HB LYS 45 2HB LYS 45 -2.476 1.217 -4.902
377 3HB LYS 45 3HB LYS 45 -3.764 1.168 -6.112
378 1HG LYS 45 2HG LYS 45 -3.921 3.731 -5.747
379 2HG LYS 45 3HG LYS 45 -2.398 3.603 -4.869
380 1HD LYS 45 2HD LYS 45 -1.170 3.086 -6.755
381 2HD LYS 45 3HD LYS 45 -2.482 2.239 -7.566
382 2HE LYS 45 2HE LYS 45 -2.360 5.270 -7.230
383 3HE LYS 45 3HE LYS 45 -1.853 4.383 -8.674
384 1HZ LYS 45 1HZ LYS 45 -4.571 4.302 -7.603
385 2HZ LYS 45 2HZ LYS 45 -4.084 5.220 -8.863
386 3HZ LYS 45 3HZ LYS 45 -4.040 3.591 -8.974
387 QB LYS 45 QB LYS 45 -3.120 1.192 -5.507
388 QG LYS 45 QG LYS 45 -3.159 3.667 -5.308
389 QD LYS 45 QD LYS 45 -1.826 2.662 -7.161
390 QE LYS 45 QE LYS 45 -2.106 4.826 -7.952
391 QZ LYS 45 QZ LYS 45 -4.349 3.947 -8.306
392 H GLN 46 HN GLN 46 -5.731 3.857 -4.267
393 HA GLN 46 HA GLN 46 -8.308 2.751 -5.180
394 2HB GLN 46 2HB GLN 46 -7.353 5.589 -4.726
395 3HB GLN 46 3HB GLN 46 -9.037 5.112 -4.984
396 1HG GLN 46 2HG GLN 46 -9.326 4.346 -2.849
397 2HG GLN 46 3HG GLN 46 -7.714 3.661 -2.771
398 1HE2 GLN 46 1HE2 GLN 46 -6.761 6.252 -0.573
399 2HE2 GLN 46 2HE2 GLN 46 -7.016 4.526 -0.689
400 QB GLN 46 QB GLN 46 -8.195 5.351 -4.855
401 QG GLN 46 QG GLN 46 -8.520 4.003 -2.810
402 QE2 GLN 46 QE2 GLN 46 -6.889 5.389 -0.631
Start of MODEL 5
Raw file had 402 H/Q atoms
1 1H GLY 1 1HN GLY 1 -0.410 0.971 0.500
2 2H GLY 1 2HN GLY 1 -0.361 0.086 -0.898
3 3H GLY 1 3HN GLY 1 -0.523 -0.679 0.561
4 1HA GLY 1 1HA GLY 1 1.610 0.121 1.234
5 2HA GLY 1 2HA GLY 1 1.730 -0.949 -0.188
6 QA GLY 1 QA GLY 1 1.670 -0.414 0.523
7 H ALA 2 HN ALA 2 3.825 0.207 -0.660
8 HA ALA 2 HA ALA 2 3.224 2.710 -2.129
9 1HB ALA 2 3HB ALA 2 4.735 3.141 -0.131
10 2HB ALA 2 1HB ALA 2 5.896 1.991 -0.838
11 3HB ALA 2 2HB ALA 2 5.504 3.502 -1.690
12 QB ALA 2 QB ALA 2 5.378 2.878 -0.886
13 H ALA 3 HN ALA 3 3.366 -0.250 -2.676
14 HA ALA 3 HA ALA 3 4.017 -0.001 -5.361
15 1HB ALA 3 1HB ALA 3 6.180 -1.429 -3.737
16 2HB ALA 3 2HB ALA 3 6.027 -1.566 -5.497
17 3HB ALA 3 3HB ALA 3 6.388 0.004 -4.772
18 QB ALA 3 QB ALA 3 6.198 -0.997 -4.669
19 H CYS 4 HN CYS 4 3.891 -1.993 -6.592
20 HA CYS 4 HA CYS 4 3.012 -4.462 -5.476
21 2HB CYS 4 2HB CYS 4 0.762 -4.401 -6.774
22 3HB CYS 4 3HB CYS 4 0.890 -3.796 -5.145
23 QB CYS 4 QB CYS 4 0.826 -4.098 -5.959
24 H LEU 5 HN LEU 5 2.318 -5.971 -7.008
25 HA LEU 5 HA LEU 5 3.878 -6.058 -9.327
26 2HB LEU 5 2HB LEU 5 2.027 -7.918 -7.982
27 3HB LEU 5 3HB LEU 5 2.484 -8.272 -9.653
28 HG LEU 5 HG LEU 5 4.600 -7.769 -7.530
29 1HD1 LEU 5 2HD1 LEU 5 3.349 -10.440 -8.280
30 2HD1 LEU 5 3HD1 LEU 5 4.779 -10.205 -7.254
31 3HD1 LEU 5 1HD1 LEU 5 3.211 -9.608 -6.706
32 1HD2 LEU 5 2HD2 LEU 5 4.561 -9.011 -10.317
33 2HD2 LEU 5 3HD2 LEU 5 5.646 -7.774 -9.659
34 3HD2 LEU 5 1HD2 LEU 5 5.819 -9.439 -9.152
35 QB LEU 5 QB LEU 5 2.256 -8.095 -8.818
36 QD1 LEU 5 QD1 LEU 5 3.780 -10.084 -7.413
37 QD2 LEU 5 QD2 LEU 5 5.342 -8.741 -9.709
38 QQD LEU 5 QQD LEU 5 4.561 -9.413 -8.561
39 H CYS 6 HN CYS 6 2.890 -6.683 -11.583
40 HA CYS 6 HA CYS 6 0.945 -4.669 -12.355
41 2HB CYS 6 2HB CYS 6 2.691 -6.583 -13.719
42 3HB CYS 6 3HB CYS 6 1.174 -6.369 -14.504
43 QB CYS 6 QB CYS 6 1.933 -6.476 -14.111
44 H LYS 7 HN LYS 7 -0.809 -5.430 -13.916
45 HA LYS 7 HA LYS 7 -2.904 -6.679 -12.614
46 2HB LYS 7 2HB LYS 7 -3.426 -5.362 -14.489
47 3HB LYS 7 3HB LYS 7 -2.234 -6.135 -15.499
48 1HG LYS 7 2HG LYS 7 -4.482 -6.752 -16.227
49 2HG LYS 7 3HG LYS 7 -3.569 -8.155 -15.706
50 1HD LYS 7 2HD LYS 7 -5.566 -8.614 -14.678
51 2HD LYS 7 3HD LYS 7 -4.799 -7.718 -13.367
52 2HE LYS 7 2HE LYS 7 -5.945 -5.608 -14.309
53 3HE LYS 7 3HE LYS 7 -6.861 -6.699 -15.363
54 1HZ LYS 7 3HZ LYS 7 -7.603 -7.816 -13.339
55 2HZ LYS 7 1HZ LYS 7 -6.847 -6.688 -12.431
56 3HZ LYS 7 2HZ LYS 7 -8.082 -6.256 -13.409
57 QB LYS 7 QB LYS 7 -2.830 -5.748 -14.994
58 QG LYS 7 QG LYS 7 -4.025 -7.453 -15.967
59 QD LYS 7 QD LYS 7 -5.182 -8.166 -14.023
60 QE LYS 7 QE LYS 7 -6.403 -6.154 -14.836
61 QZ LYS 7 QZ LYS 7 -7.256 -7.259 -12.851
62 H SER 8 HN SER 8 -0.517 -8.344 -14.774
63 HA SER 8 HA SER 8 -0.573 -10.640 -13.119
64 2HB SER 8 2HB SER 8 -2.836 -11.091 -14.105
65 3HB SER 8 3HB SER 8 -2.109 -11.072 -15.720
66 HG SER 8 HG SER 8 -0.865 -12.851 -15.086
67 QB SER 8 QB SER 8 -2.473 -11.082 -14.913
68 H ASP 9 HN ASP 9 1.680 -10.219 -13.369
69 HA ASP 9 HA ASP 9 2.822 -11.225 -15.944
70 2HB ASP 9 2HB ASP 9 3.209 -8.696 -15.184
71 3HB ASP 9 3HB ASP 9 4.370 -9.445 -14.097
72 QB ASP 9 QB ASP 9 3.789 -9.071 -14.641
73 H GLY 10 HN GLY 10 5.271 -11.895 -15.278
74 1HA GLY 10 1HA GLY 10 4.967 -14.336 -13.862
75 2HA GLY 10 2HA GLY 10 6.490 -13.620 -14.410
76 QA GLY 10 QA GLY 10 5.728 -13.978 -14.136
77 HA PRO 11 HA PRO 11 5.457 -12.442 -9.798
78 2HB PRO 11 2HB PRO 11 5.484 -14.655 -8.180
79 3HB PRO 11 3HB PRO 11 4.053 -14.140 -9.109
80 1HG PRO 11 2HG PRO 11 6.100 -16.230 -9.916
81 2HG PRO 11 3HG PRO 11 4.316 -16.395 -9.883
82 1HD PRO 11 2HD PRO 11 5.619 -15.780 -12.176
83 2HD PRO 11 3HD PRO 11 4.056 -14.997 -11.778
84 QB PRO 11 QB PRO 11 4.768 -14.398 -8.644
85 QG PRO 11 QG PRO 11 5.208 -16.313 -9.899
86 QD PRO 11 QD PRO 11 4.838 -15.389 -11.977
87 H ASN 12 HN ASN 12 7.679 -11.693 -10.651
88 HA ASN 12 HA ASN 12 9.906 -12.777 -9.025
89 2HB ASN 12 2HB ASN 12 9.410 -13.923 -11.470
90 3HB ASN 12 3HB ASN 12 10.284 -12.501 -12.020
91 1HD2 ASN 12 2HD2 ASN 12 12.157 -15.405 -9.733
92 2HD2 ASN 12 1HD2 ASN 12 10.424 -15.150 -9.596
93 QB ASN 12 QB ASN 12 9.847 -13.212 -11.745
94 QD2 ASN 12 QD2 ASN 12 11.290 -15.278 -9.665
95 H THR 13 HN THR 13 11.937 -11.237 -9.377
96 HA THR 13 HA THR 13 10.925 -8.496 -9.882
97 HB THR 13 HB THR 13 13.183 -7.991 -8.749
98 HG1 THR 13 HG1 THR 13 14.129 -9.764 -7.718
99 1HG2 THR 13 2HG2 THR 13 10.879 -8.116 -7.588
100 2HG2 THR 13 1HG2 THR 13 11.338 -9.755 -7.083
101 3HG2 THR 13 3HG2 THR 13 12.294 -8.359 -6.546
102 QG2 THR 13 QG2 THR 13 11.504 -8.743 -7.072
103 NH1 ARG 14 NH1 ARG 14 10.242 -12.970 -18.323
104 NH2 ARG 14 NH2 ARG 14 12.496 -12.683 -18.747
105 H ARG 14 HN ARG 14 10.912 -9.437 -12.271
106 HA ARG 14 HA ARG 14 13.524 -9.241 -13.528
107 2HB ARG 14 2HB ARG 14 11.225 -10.553 -14.253
108 3HB ARG 14 3HB ARG 14 11.075 -9.106 -15.247
109 1HG ARG 14 2HG ARG 14 13.785 -9.855 -15.526
110 2HG ARG 14 3HG ARG 14 12.946 -11.394 -15.377
111 1HD ARG 14 2HD ARG 14 12.191 -9.190 -17.370
112 2HD ARG 14 3HD ARG 14 13.349 -10.449 -17.727
113 HE ARG 14 HE ARG 14 10.418 -10.777 -17.158
114 1HH1 ARG 14 1HH1 ARG 14 10.261 -13.829 -18.834
115 2HH1 ARG 14 2HH1 ARG 14 9.388 -12.652 -17.911
116 1HH2 ARG 14 1HH2 ARG 14 12.505 -13.543 -19.257
117 2HH2 ARG 14 2HH2 ARG 14 13.336 -12.149 -18.653
118 QB ARG 14 QB ARG 14 11.150 -9.830 -14.750
119 QG ARG 14 QG ARG 14 13.366 -10.625 -15.451
120 QD ARG 14 QD ARG 14 12.770 -9.819 -17.549
121 QH1 ARG 14 QH1 ARG 14 9.825 -13.241 -18.373
122 QH2 ARG 14 QH2 ARG 14 12.920 -12.846 -18.955
123 H GLY 15 HN GLY 15 13.258 -7.840 -15.802
124 1HA GLY 15 1HA GLY 15 13.789 -5.186 -15.213
125 2HA GLY 15 2HA GLY 15 13.271 -5.787 -16.796
126 QA GLY 15 QA GLY 15 13.530 -5.487 -16.004
127 H ASN 16 HN ASN 16 10.636 -6.673 -15.888
128 HA ASN 16 HA ASN 16 9.432 -4.219 -14.776
129 2HB ASN 16 2HB ASN 16 8.751 -4.052 -17.070
130 3HB ASN 16 3HB ASN 16 8.292 -5.759 -17.136
131 1HD2 ASN 16 1HD2 ASN 16 5.926 -3.644 -14.507
132 2HD2 ASN 16 2HD2 ASN 16 7.647 -3.459 -14.427
133 QB ASN 16 QB ASN 16 8.521 -4.905 -17.103
134 QD2 ASN 16 QD2 ASN 16 6.786 -3.552 -14.467
135 H SER 17 HN SER 17 7.568 -7.093 -15.655
136 HA SER 17 HA SER 17 6.349 -8.439 -14.442
137 2HB SER 17 2HB SER 17 8.164 -9.626 -13.536
138 3HB SER 17 3HB SER 17 8.581 -8.315 -12.405
139 HG SER 17 HG SER 17 6.549 -10.177 -12.235
140 QB SER 17 QB SER 17 8.373 -8.970 -12.970
141 H MET 18 HN MET 18 7.533 -6.008 -12.003
142 HA MET 18 HA MET 18 4.895 -6.147 -10.952
143 2HB MET 18 2HB MET 18 5.718 -5.112 -8.939
144 3HB MET 18 3HB MET 18 7.095 -5.987 -9.566
145 1HG MET 18 2HG MET 18 7.464 -3.630 -10.829
146 2HG MET 18 3HG MET 18 6.484 -3.089 -9.450
147 1HE MET 18 2HE MET 18 7.101 -3.455 -6.979
148 2HE MET 18 3HE MET 18 7.591 -5.160 -7.172
149 3HE MET 18 1HE MET 18 8.700 -3.997 -6.407
150 QB MET 18 QB MET 18 6.406 -5.549 -9.252
151 QG MET 18 QG MET 18 6.974 -3.359 -10.139
152 QE MET 18 QE MET 18 7.797 -4.204 -6.853
153 H SER 19 HN SER 19 3.831 -4.006 -10.043
154 HA SER 19 HA SER 19 3.010 -2.592 -12.513
155 2HB SER 19 2HB SER 19 2.021 -2.725 -9.685
156 3HB SER 19 3HB SER 19 1.876 -1.166 -10.532
157 HG SER 19 HG SER 19 0.475 -3.435 -10.848
158 QB SER 19 QB SER 19 1.949 -1.946 -10.108
159 H GLY 20 HN GLY 20 4.706 -2.071 -9.486
160 1HA GLY 20 1HA GLY 20 6.678 -0.595 -9.469
161 2HA GLY 20 2HA GLY 20 5.751 0.565 -10.440
162 QA GLY 20 QA GLY 20 6.214 -0.015 -9.955
163 H THR 21 HN THR 21 4.810 2.095 -9.253
164 HA THR 21 HA THR 21 4.876 1.895 -6.347
165 HB THR 21 HB THR 21 4.362 4.180 -8.262
166 HG1 THR 21 HG1 THR 21 6.749 3.196 -7.050
167 1HG2 THR 21 2HG2 THR 21 3.771 4.855 -5.974
168 2HG2 THR 21 1HG2 THR 21 5.419 4.412 -5.435
169 3HG2 THR 21 3HG2 THR 21 5.179 5.710 -6.619
170 QG2 THR 21 QG2 THR 21 4.790 4.992 -6.009
171 H ILE 22 HN ILE 22 3.071 2.190 -5.040
172 HA ILE 22 HA ILE 22 0.409 1.645 -6.191
173 HB ILE 22 HB ILE 22 1.679 1.605 -3.513
174 2HG1 ILE 22 2HG1 ILE 22 -0.445 -0.001 -4.963
175 3HG1 ILE 22 3HG1 ILE 22 1.318 -0.288 -4.953
176 1HG2 ILE 22 3HG2 ILE 22 -1.289 2.193 -3.715
177 2HG2 ILE 22 1HG2 ILE 22 -0.462 1.540 -2.300
178 3HG2 ILE 22 2HG2 ILE 22 -0.035 3.142 -2.855
179 1HD1 ILE 22 2HD1 ILE 22 1.151 -0.717 -2.488
180 2HD1 ILE 22 3HD1 ILE 22 -0.634 -0.662 -2.667
181 3HD1 ILE 22 1HD1 ILE 22 0.305 -1.888 -3.511
182 QG1 ILE 22 QG1 ILE 22 0.437 -0.145 -4.958
183 QG2 ILE 22 QG2 ILE 22 -0.595 2.292 -2.957
184 QD1 ILE 22 QD1 ILE 22 0.274 -1.089 -2.889
185 CH2 TRP 23 CH2 TRP 23 2.896 9.450 -7.848
186 H TRP 23 HN TRP 23 -1.080 3.161 -6.639
187 HA TRP 23 HA TRP 23 -0.629 5.999 -5.833
188 2HB TRP 23 2HB TRP 23 -1.433 4.877 -8.537
189 3HB TRP 23 3HB TRP 23 -1.709 6.549 -8.042
190 HD1 TRP 23 HD1 TRP 23 1.002 4.261 -9.276
191 HE1 TRP 23 HE1 TRP 23 3.175 5.556 -9.625
192 HE3 TRP 23 HE3 TRP 23 -0.326 8.666 -7.037
193 HZ2 TRP 23 HZ2 TRP 23 4.252 8.147 -8.895
194 HZ3 TRP 23 HZ3 TRP 23 1.314 10.512 -6.839
195 HH2 TRP 23 HH2 TRP 23 3.610 10.257 -7.757
196 QB TRP 23 QB TRP 23 -1.571 5.713 -8.290
197 H VAL 24 HN VAL 24 -2.128 6.334 -4.343
198 HA VAL 24 HA VAL 24 -4.580 4.860 -4.204
199 HB VAL 24 HB VAL 24 -3.905 7.496 -2.831
200 1HG1 VAL 24 3HG1 VAL 24 -5.729 5.172 -2.049
201 2HG1 VAL 24 1HG1 VAL 24 -5.416 6.622 -1.074
202 3HG1 VAL 24 2HG1 VAL 24 -6.273 6.767 -2.615
203 1HG2 VAL 24 1HG2 VAL 24 -3.175 4.634 -2.064
204 2HG2 VAL 24 2HG2 VAL 24 -2.057 5.988 -2.342
205 3HG2 VAL 24 3HG2 VAL 24 -3.123 6.008 -0.941
206 QG1 VAL 24 QG1 VAL 24 -5.806 6.187 -1.913
207 QG2 VAL 24 QG2 VAL 24 -2.785 5.543 -1.782
208 QQG VAL 24 QQG VAL 24 -4.295 5.865 -1.847
209 H PHE 25 HN PHE 25 -3.684 8.045 -5.525
210 HA PHE 25 HA PHE 25 -6.477 8.751 -6.075
211 2HB PHE 25 2HB PHE 25 -3.817 10.133 -6.661
212 3HB PHE 25 3HB PHE 25 -5.388 10.767 -7.140
213 HD1 PHE 25 HD1 PHE 25 -5.783 9.283 -3.880
214 HD2 PHE 25 HD2 PHE 25 -4.303 12.778 -5.955
215 HE1 PHE 25 HE1 PHE 25 -6.029 10.613 -1.830
216 HE2 PHE 25 HE2 PHE 25 -4.612 14.113 -3.895
217 HZ PHE 25 HZ PHE 25 -5.471 13.035 -1.827
218 QB PHE 25 QB PHE 25 -4.602 10.450 -6.900
219 QB PHE 25 QB PHE 25 -4.602 10.450 -6.900
220 H GLY 26 HN GLY 26 -3.584 8.573 -8.281
221 1HA GLY 26 1HA GLY 26 -5.000 7.245 -10.386
222 2HA GLY 26 2HA GLY 26 -5.030 9.011 -10.593
223 QA GLY 26 QA GLY 26 -5.015 8.128 -10.490
224 H CYS 27 HN CYS 27 -3.570 7.061 -12.250
225 HA CYS 27 HA CYS 27 -0.809 7.136 -11.470
226 2HB CYS 27 2HB CYS 27 -1.639 5.337 -12.799
227 3HB CYS 27 3HB CYS 27 -2.102 6.434 -14.121
228 QB CYS 27 QB CYS 27 -1.870 5.885 -13.460
229 HA PRO 28 HA PRO 28 -0.341 11.298 -13.135
230 2HB PRO 28 2HB PRO 28 2.454 11.534 -12.794
231 3HB PRO 28 3HB PRO 28 1.189 11.948 -11.609
232 1HG PRO 28 2HG PRO 28 3.031 9.658 -11.582
233 2HG PRO 28 3HG PRO 28 1.997 10.300 -10.288
234 1HD PRO 28 2HD PRO 28 1.551 7.970 -11.927
235 2HD PRO 28 3HD PRO 28 0.517 8.646 -10.635
236 QB PRO 28 QB PRO 28 1.821 11.741 -12.201
237 QG PRO 28 QG PRO 28 2.514 9.979 -10.935
238 QD PRO 28 QD PRO 28 1.034 8.308 -11.281
239 H SER 29 HN SER 29 0.859 12.474 -14.848
240 HA SER 29 HA SER 29 0.955 10.945 -17.245
241 2HB SER 29 2HB SER 29 0.961 13.708 -16.583
242 3HB SER 29 3HB SER 29 2.480 13.447 -17.447
243 HG SER 29 HG SER 29 1.222 12.455 -19.113
244 QB SER 29 QB SER 29 1.720 13.578 -17.015
245 H GLY 30 HN GLY 30 2.656 10.021 -18.367
246 1HA GLY 30 1HA GLY 30 4.893 9.604 -18.922
247 2HA GLY 30 2HA GLY 30 5.454 10.367 -17.431
248 QA GLY 30 QA GLY 30 5.174 9.986 -18.177
249 CH2 TRP 31 CH2 TRP 31 6.259 6.062 -9.752
250 H TRP 31 HN TRP 31 3.043 8.560 -16.194
251 HA TRP 31 HA TRP 31 4.817 6.248 -15.680
252 2HB TRP 31 2HB TRP 31 2.495 7.500 -14.267
253 3HB TRP 31 3HB TRP 31 3.081 5.881 -13.885
254 HD1 TRP 31 HD1 TRP 31 4.656 9.454 -14.056
255 HE1 TRP 31 HE1 TRP 31 6.134 9.729 -11.993
256 HE3 TRP 31 HE3 TRP 31 4.030 4.840 -12.023
257 HZ2 TRP 31 HZ2 TRP 31 6.874 8.095 -9.612
258 HZ3 TRP 31 HZ3 TRP 31 5.526 4.080 -10.181
259 HH2 TRP 31 HH2 TRP 31 6.814 5.776 -8.871
260 QB TRP 31 QB TRP 31 2.788 6.690 -14.076
261 H ASN 32 HN ASN 32 3.766 4.081 -15.657
262 HA ASN 32 HA ASN 32 1.942 3.728 -17.994
263 2HB ASN 32 2HB ASN 32 4.287 2.814 -18.035
264 3HB ASN 32 3HB ASN 32 3.837 1.688 -16.753
265 1HD2 ASN 32 1HD2 ASN 32 1.500 -0.038 -19.132
266 2HD2 ASN 32 2HD2 ASN 32 1.315 0.549 -17.516
267 QB ASN 32 QB ASN 32 4.062 2.251 -17.394
268 QD2 ASN 32 QD2 ASN 32 1.408 0.255 -18.324
269 H ASN 33 HN ASN 33 -0.093 3.409 -17.330
270 HA ASN 33 HA ASN 33 -1.105 2.562 -14.879
271 2HB ASN 33 2HB ASN 33 -2.451 1.861 -17.501
272 3HB ASN 33 3HB ASN 33 -3.192 2.229 -15.940
273 1HD2 ASN 33 1HD2 ASN 33 -1.786 3.555 -18.885
274 2HD2 ASN 33 2HD2 ASN 33 -2.138 5.234 -18.517
275 QB ASN 33 QB ASN 33 -2.822 2.045 -16.721
276 QD2 ASN 33 QD2 ASN 33 -1.962 4.394 -18.701
277 H CYS 34 HN CYS 34 -1.312 0.569 -13.804
278 HA CYS 34 HA CYS 34 -1.608 -1.891 -15.218
279 2HB CYS 34 2HB CYS 34 1.088 -1.251 -15.083
280 3HB CYS 34 3HB CYS 34 0.905 -1.883 -13.493
281 QB CYS 34 QB CYS 34 0.997 -1.567 -14.288
282 H GLU 35 HN GLU 35 -2.752 -3.326 -13.621
283 HA GLU 35 HA GLU 35 -2.315 -2.925 -10.834
284 2HB GLU 35 2HB GLU 35 -4.392 -1.974 -10.153
285 3HB GLU 35 3HB GLU 35 -3.656 -0.869 -11.316
286 1HG GLU 35 2HG GLU 35 -5.201 -1.814 -13.078
287 2HG GLU 35 3HG GLU 35 -5.997 -2.749 -11.796
288 QB GLU 35 QB GLU 35 -4.024 -1.421 -10.734
289 QG GLU 35 QG GLU 35 -5.599 -2.282 -12.437
290 H GLY 36 HN GLY 36 -3.084 -4.581 -9.655
291 1HA GLY 36 1HA GLY 36 -5.275 -5.814 -9.276
292 2HA GLY 36 2HA GLY 36 -5.048 -6.508 -10.882
293 QA GLY 36 QA GLY 36 -5.161 -6.161 -10.079
294 NH1 ARG 37 NH1 ARG 37 -1.832 -11.541 -5.002
295 NH2 ARG 37 NH2 ARG 37 0.462 -11.312 -5.218
296 H ARG 37 HN ARG 37 -3.516 -6.307 -7.638
297 HA ARG 37 HA ARG 37 -2.861 -9.153 -7.867
298 2HB ARG 37 2HB ARG 37 -0.905 -7.072 -8.409
299 3HB ARG 37 3HB ARG 37 -0.397 -7.914 -6.964
300 1HG ARG 37 2HG ARG 37 -1.278 -9.502 -9.413
301 2HG ARG 37 3HG ARG 37 0.291 -8.743 -9.372
302 1HD ARG 37 2HD ARG 37 0.479 -11.051 -8.588
303 2HD ARG 37 3HD ARG 37 0.912 -9.880 -7.333
304 HE ARG 37 HE ARG 37 -1.846 -11.001 -7.456
305 1HH1 ARG 37 2HH1 ARG 37 -2.748 -11.500 -5.400
306 2HH1 ARG 37 1HH1 ARG 37 -1.715 -11.803 -4.044
307 1HH2 ARG 37 2HH2 ARG 37 1.262 -11.099 -5.778
308 2HH2 ARG 37 1HH2 ARG 37 0.578 -11.574 -4.260
309 QB ARG 37 QB ARG 37 -0.651 -7.493 -7.687
310 QG ARG 37 QG ARG 37 -0.493 -9.123 -9.392
311 QD ARG 37 QD ARG 37 0.696 -10.465 -7.960
312 QH1 ARG 37 QH1 ARG 37 -2.231 -11.651 -4.722
313 QH2 ARG 37 QH2 ARG 37 0.920 -11.337 -5.019
314 H ALA 38 HN ALA 38 -4.789 -8.376 -6.462
315 HA ALA 38 HA ALA 38 -5.779 -8.274 -4.436
316 1HB ALA 38 3HB ALA 38 -4.491 -10.328 -3.942
317 2HB ALA 38 1HB ALA 38 -3.169 -9.341 -3.275
318 3HB ALA 38 2HB ALA 38 -4.761 -9.329 -2.505
319 QB ALA 38 QB ALA 38 -4.140 -9.666 -3.241
320 H ILE 39 HN ILE 39 -5.426 -5.903 -5.197
321 HA ILE 39 HA ILE 39 -4.288 -4.384 -2.933
322 HB ILE 39 HB ILE 39 -3.272 -2.775 -4.324
323 2HG1 ILE 39 2HG1 ILE 39 -4.240 -4.298 -6.790
324 3HG1 ILE 39 3HG1 ILE 39 -4.836 -2.730 -6.224
325 1HG2 ILE 39 3HG2 ILE 39 -2.029 -4.943 -3.828
326 2HG2 ILE 39 1HG2 ILE 39 -2.369 -5.427 -5.505
327 3HG2 ILE 39 2HG2 ILE 39 -1.408 -3.982 -5.166
328 1HD1 ILE 39 1HD1 ILE 39 -2.453 -1.853 -6.386
329 2HD1 ILE 39 2HD1 ILE 39 -2.076 -3.352 -7.289
330 3HD1 ILE 39 3HD1 ILE 39 -3.246 -2.194 -7.923
331 QG1 ILE 39 QG1 ILE 39 -4.538 -3.514 -6.507
332 QG2 ILE 39 QG2 ILE 39 -1.935 -4.784 -4.833
333 QD1 ILE 39 QD1 ILE 39 -2.592 -2.466 -7.199
334 H ILE 40 HN ILE 40 -5.295 -2.277 -2.722
335 HA ILE 40 HA ILE 40 -8.135 -2.314 -3.607
336 HB ILE 40 HB ILE 40 -6.792 -0.641 -1.431
337 2HG1 ILE 40 2HG1 ILE 40 -8.360 -2.125 0.027
338 3HG1 ILE 40 3HG1 ILE 40 -8.266 -3.291 -1.296
339 1HG2 ILE 40 3HG2 ILE 40 -9.687 -1.015 -2.288
340 2HG2 ILE 40 1HG2 ILE 40 -9.180 -0.200 -0.794
341 3HG2 ILE 40 2HG2 ILE 40 -8.730 0.480 -2.355
342 1HD1 ILE 40 2HD1 ILE 40 -5.855 -2.085 0.167
343 2HD1 ILE 40 3HD1 ILE 40 -6.634 -3.609 0.620
344 3HD1 ILE 40 1HD1 ILE 40 -5.825 -3.477 -0.941
345 QG1 ILE 40 QG1 ILE 40 -8.313 -2.708 -0.635
346 QG2 ILE 40 QG2 ILE 40 -9.199 -0.245 -1.812
347 QD1 ILE 40 QD1 ILE 40 -6.105 -3.057 -0.051
348 H GLY 41 HN GLY 41 -5.554 0.118 -3.013
349 1HA GLY 41 1HA GLY 41 -6.677 2.033 -4.875
350 2HA GLY 41 2HA GLY 41 -5.111 2.134 -4.043
351 QA GLY 41 QA GLY 41 -5.894 2.084 -4.459
352 OH TYR 42 OH TYR 42 -9.997 4.661 -7.957
353 H TYR 42 HN TYR 42 -4.972 2.988 -6.567
354 HA TYR 42 HA TYR 42 -4.684 0.775 -8.475
355 2HB TYR 42 2HB TYR 42 -4.066 3.691 -8.929
356 3HB TYR 42 3HB TYR 42 -4.579 2.481 -10.105
357 HD1 TYR 42 HD1 TYR 42 -5.754 5.354 -9.416
358 HD2 TYR 42 HD2 TYR 42 -6.967 1.319 -8.518
359 HE1 TYR 42 HE1 TYR 42 -8.079 6.126 -8.986
360 HE2 TYR 42 HE2 TYR 42 -9.189 2.133 -7.838
361 HH TYR 42 HH TYR 42 -10.545 3.982 -7.561
362 QB TYR 42 QB TYR 42 -4.323 3.086 -9.517
363 QB TYR 42 QB TYR 42 -4.323 3.086 -9.517
364 H CYS 43 HN CYS 43 -2.632 1.046 -9.947
365 HA CYS 43 HA CYS 43 -0.204 1.520 -8.304
366 2HB CYS 43 2HB CYS 43 -1.160 -0.969 -8.507
367 3HB CYS 43 3HB CYS 43 -0.238 -0.920 -9.970
368 QB CYS 43 QB CYS 43 -0.699 -0.945 -9.238
369 H CYS 44 HN CYS 44 1.709 1.876 -9.796
370 HA CYS 44 HA CYS 44 1.205 1.872 -12.647
371 2HB CYS 44 2HB CYS 44 0.136 4.098 -11.545
372 3HB CYS 44 3HB CYS 44 1.805 4.656 -11.672
373 QB CYS 44 QB CYS 44 0.970 4.377 -11.608
374 H LYS 45 HN LYS 45 3.150 2.260 -13.891
375 HA LYS 45 HA LYS 45 5.617 2.036 -12.202
376 2HB LYS 45 2HB LYS 45 4.691 0.426 -14.336
377 3HB LYS 45 3HB LYS 45 5.893 1.467 -15.087
378 1HG LYS 45 2HG LYS 45 7.370 0.830 -12.985
379 2HG LYS 45 3HG LYS 45 6.203 -0.470 -12.791
380 1HD LYS 45 2HD LYS 45 7.972 -1.405 -13.955
381 2HD LYS 45 3HD LYS 45 6.638 -1.206 -15.108
382 2HE LYS 45 2HE LYS 45 8.334 1.172 -15.194
383 3HE LYS 45 3HE LYS 45 9.384 -0.245 -15.213
384 1HZ LYS 45 2HZ LYS 45 8.032 -1.087 -17.045
385 2HZ LYS 45 3HZ LYS 45 7.210 0.324 -17.088
386 3HZ LYS 45 1HZ LYS 45 8.812 0.302 -17.405
387 QB LYS 45 QB LYS 45 5.292 0.947 -14.712
388 QG LYS 45 QG LYS 45 6.786 0.180 -12.888
389 QD LYS 45 QD LYS 45 7.305 -1.306 -14.531
390 QE LYS 45 QE LYS 45 8.859 0.463 -15.203
391 QZ LYS 45 QZ LYS 45 8.002 0.305 -17.292
392 H GLN 46 HN GLN 46 7.518 3.292 -12.719
393 HA GLN 46 HA GLN 46 7.098 5.834 -14.028
394 2HB GLN 46 2HB GLN 46 9.572 4.313 -13.110
395 3HB GLN 46 3HB GLN 46 9.703 5.832 -14.002
396 1HG GLN 46 2HG GLN 46 8.217 6.931 -12.359
397 2HG GLN 46 3HG GLN 46 8.295 5.477 -11.351
398 1HE2 GLN 46 2HE2 GLN 46 11.719 6.120 -10.377
399 2HE2 GLN 46 1HE2 GLN 46 10.535 4.839 -10.565
400 QB GLN 46 QB GLN 46 9.637 5.073 -13.556
401 QG GLN 46 QG GLN 46 8.256 6.204 -11.855
402 QE2 GLN 46 QE2 GLN 46 11.127 5.479 -10.471
Start of MODEL 6
Raw file had 402 H/Q atoms
1 1H GLY 1 3HN GLY 1 -0.267 -0.995 0.079
2 2H GLY 1 1HN GLY 1 -0.344 0.401 0.966
3 3H GLY 1 2HN GLY 1 -0.309 0.473 -0.687
4 1HA GLY 1 1HA GLY 1 1.849 1.049 -0.024
5 2HA GLY 1 2HA GLY 1 1.859 -0.302 1.136
6 QA GLY 1 QA GLY 1 1.854 0.374 0.556
7 H ALA 2 HN ALA 2 3.844 -0.032 -0.966
8 HA ALA 2 HA ALA 2 3.143 -2.007 -3.037
9 1HB ALA 2 3HB ALA 2 5.732 -0.576 -2.320
10 2HB ALA 2 1HB ALA 2 5.541 -1.705 -3.675
11 3HB ALA 2 2HB ALA 2 4.628 -0.183 -3.649
12 QB ALA 2 QB ALA 2 5.300 -0.821 -3.215
13 H ALA 3 HN ALA 3 4.477 -4.003 -3.224
14 HA ALA 3 HA ALA 3 4.743 -5.339 -0.647
15 1HB ALA 3 2HB ALA 3 5.227 -6.322 -3.484
16 2HB ALA 3 3HB ALA 3 5.303 -7.327 -2.019
17 3HB ALA 3 1HB ALA 3 3.772 -6.577 -2.493
18 QB ALA 3 QB ALA 3 4.767 -6.742 -2.665
19 H CYS 4 HN CYS 4 6.834 -6.412 -0.019
20 HA CYS 4 HA CYS 4 9.224 -5.552 -1.485
21 2HB CYS 4 2HB CYS 4 10.386 -4.498 0.112
22 3HB CYS 4 3HB CYS 4 8.814 -3.844 0.510
23 QB CYS 4 QB CYS 4 9.600 -4.171 0.311
24 H LEU 5 HN LEU 5 11.157 -6.729 -0.738
25 HA LEU 5 HA LEU 5 10.637 -9.535 -0.225
26 2HB LEU 5 2HB LEU 5 13.300 -8.075 -0.346
27 3HB LEU 5 3HB LEU 5 12.977 -9.798 -0.385
28 HG LEU 5 HG LEU 5 11.579 -9.291 -2.539
29 1HD1 LEU 5 2HD1 LEU 5 13.424 -6.897 -2.323
30 2HD1 LEU 5 3HD1 LEU 5 12.769 -7.462 -3.871
31 3HD1 LEU 5 1HD1 LEU 5 11.668 -6.886 -2.626
32 1HD2 LEU 5 1HD2 LEU 5 14.421 -9.891 -2.020
33 2HD2 LEU 5 2HD2 LEU 5 13.343 -10.589 -3.228
34 3HD2 LEU 5 3HD2 LEU 5 14.205 -9.094 -3.572
35 QB LEU 5 QB LEU 5 13.139 -8.936 -0.366
36 QD1 LEU 5 QD1 LEU 5 12.620 -7.082 -2.940
37 QD2 LEU 5 QD2 LEU 5 13.990 -9.858 -2.940
38 QQD LEU 5 QQD LEU 5 13.305 -8.470 -2.940
39 H CYS 6 HN CYS 6 11.817 -10.720 1.607
40 HA CYS 6 HA CYS 6 11.543 -8.997 4.049
41 2HB CYS 6 2HB CYS 6 10.773 -11.818 3.416
42 3HB CYS 6 3HB CYS 6 11.446 -11.531 5.003
43 QB CYS 6 QB CYS 6 11.109 -11.675 4.209
44 H LYS 7 HN LYS 7 12.576 -9.705 5.971
45 HA LYS 7 HA LYS 7 15.386 -9.285 5.550
46 2HB LYS 7 2HB LYS 7 14.172 -8.538 7.596
47 3HB LYS 7 3HB LYS 7 13.764 -10.209 7.976
48 1HG LYS 7 2HG LYS 7 15.609 -10.027 9.327
49 2HG LYS 7 3HG LYS 7 16.473 -10.504 7.848
50 1HD LYS 7 2HD LYS 7 16.347 -7.817 7.394
51 2HD LYS 7 3HD LYS 7 16.199 -7.784 9.136
52 2HE LYS 7 2HE LYS 7 18.520 -8.646 7.392
53 3HE LYS 7 3HE LYS 7 18.460 -7.458 8.696
54 1HZ LYS 7 1HZ LYS 7 17.889 -9.628 10.029
55 2HZ LYS 7 2HZ LYS 7 18.765 -10.321 8.838
56 3HZ LYS 7 3HZ LYS 7 19.429 -9.152 9.765
57 QB LYS 7 QB LYS 7 13.968 -9.373 7.786
58 QG LYS 7 QG LYS 7 16.041 -10.266 8.587
59 QD LYS 7 QD LYS 7 16.273 -7.800 8.265
60 QE LYS 7 QE LYS 7 18.490 -8.052 8.044
61 QZ LYS 7 QZ LYS 7 18.674 -9.424 9.926
62 H SER 8 HN SER 8 13.241 -12.012 6.356
63 HA SER 8 HA SER 8 15.261 -14.012 6.610
64 2HB SER 8 2HB SER 8 13.225 -15.491 6.358
65 3HB SER 8 3HB SER 8 13.131 -14.280 7.663
66 HG SER 8 HG SER 8 11.292 -14.548 6.051
67 QB SER 8 QB SER 8 13.178 -14.885 7.010
68 H ASP 9 HN ASP 9 13.477 -12.559 3.911
69 HA ASP 9 HA ASP 9 14.806 -14.389 1.975
70 2HB ASP 9 2HB ASP 9 12.218 -14.710 2.633
71 3HB ASP 9 3HB ASP 9 11.984 -13.439 1.447
72 QB ASP 9 QB ASP 9 12.101 -14.075 2.040
73 H GLY 10 HN GLY 10 16.347 -12.648 1.658
74 1HA GLY 10 1HA GLY 10 15.280 -10.293 0.119
75 2HA GLY 10 2HA GLY 10 16.751 -10.332 1.063
76 QA GLY 10 QA GLY 10 16.015 -10.313 0.591
77 HA PRO 11 HA PRO 11 18.239 -12.611 -2.834
78 2HB PRO 11 2HB PRO 11 16.698 -14.208 -4.373
79 3HB PRO 11 3HB PRO 11 17.151 -14.714 -2.723
80 1HG PRO 11 2HG PRO 11 14.593 -13.303 -3.561
81 2HG PRO 11 3HG PRO 11 14.730 -14.863 -2.694
82 1HD PRO 11 2HD PRO 11 14.420 -12.523 -1.342
83 2HD PRO 11 3HD PRO 11 15.508 -13.815 -0.734
84 QB PRO 11 QB PRO 11 16.924 -14.461 -3.548
85 QG PRO 11 QG PRO 11 14.661 -14.083 -3.128
86 QD PRO 11 QD PRO 11 14.964 -13.169 -1.038
87 H ASN 12 HN ASN 12 17.771 -12.657 -5.350
88 HA ASN 12 HA ASN 12 17.042 -9.916 -6.097
89 2HB ASN 12 2HB ASN 12 19.108 -11.019 -6.877
90 3HB ASN 12 3HB ASN 12 18.135 -12.249 -7.704
91 1HD2 ASN 12 1HD2 ASN 12 18.182 -8.604 -7.519
92 2HD2 ASN 12 2HD2 ASN 12 18.123 -8.410 -9.265
93 QB ASN 12 QB ASN 12 18.622 -11.634 -7.291
94 QD2 ASN 12 QD2 ASN 12 18.153 -8.507 -8.392
95 H THR 13 HN THR 13 14.788 -10.941 -5.216
96 HA THR 13 HA THR 13 12.620 -11.623 -5.751
97 HB THR 13 HB THR 13 12.534 -9.331 -5.807
98 HG1 THR 13 HG1 THR 13 11.423 -10.275 -8.224
99 1HG2 THR 13 3HG2 THR 13 13.791 -9.310 -8.567
100 2HG2 THR 13 2HG2 THR 13 13.053 -7.907 -7.763
101 3HG2 THR 13 1HG2 THR 13 14.482 -8.669 -7.054
102 QG2 THR 13 QG2 THR 13 13.775 -8.629 -7.795
103 NH1 ARG 14 NH1 ARG 14 17.116 -18.690 -9.725
104 NH2 ARG 14 NH2 ARG 14 15.988 -20.386 -8.621
105 H ARG 14 HN ARG 14 13.646 -13.702 -6.672
106 HA ARG 14 HA ARG 14 13.437 -14.007 -9.539
107 2HB ARG 14 2HB ARG 14 14.801 -15.301 -7.472
108 3HB ARG 14 3HB ARG 14 13.601 -16.500 -7.924
109 1HG ARG 14 2HG ARG 14 15.107 -15.199 -10.186
110 2HG ARG 14 3HG ARG 14 16.076 -16.139 -9.068
111 1HD ARG 14 2HD ARG 14 13.570 -17.211 -10.430
112 2HD ARG 14 3HD ARG 14 15.174 -17.394 -11.115
113 HE ARG 14 HE ARG 14 13.997 -18.874 -8.909
114 1HH1 ARG 14 2HH1 ARG 14 17.111 -17.801 -10.183
115 2HH1 ARG 14 1HH1 ARG 14 17.970 -19.202 -9.636
116 1HH2 ARG 14 1HH2 ARG 14 16.844 -20.896 -8.533
117 2HH2 ARG 14 2HH2 ARG 14 15.139 -20.766 -8.253
118 QB ARG 14 QB ARG 14 14.201 -15.901 -7.698
119 QG ARG 14 QG ARG 14 15.592 -15.669 -9.627
120 QD ARG 14 QD ARG 14 14.372 -17.302 -10.773
121 QH1 ARG 14 QH1 ARG 14 17.541 -18.502 -9.910
122 QH2 ARG 14 QH2 ARG 14 15.991 -20.831 -8.393
123 H GLY 15 HN GLY 15 11.167 -14.492 -6.911
124 1HA GLY 15 1HA GLY 15 8.932 -14.888 -8.519
125 2HA GLY 15 2HA GLY 15 9.570 -16.519 -8.241
126 QA GLY 15 QA GLY 15 9.251 -15.703 -8.380
127 H ASN 16 HN ASN 16 10.557 -16.084 -5.535
128 HA ASN 16 HA ASN 16 8.164 -15.270 -4.012
129 2HB ASN 16 2HB ASN 16 8.967 -18.012 -4.300
130 3HB ASN 16 3HB ASN 16 9.559 -17.499 -2.721
131 1HD2 ASN 16 2HD2 ASN 16 5.481 -17.340 -3.460
132 2HD2 ASN 16 1HD2 ASN 16 6.610 -17.017 -4.768
133 QB ASN 16 QB ASN 16 9.263 -17.756 -3.510
134 QD2 ASN 16 QD2 ASN 16 6.045 -17.178 -4.114
135 H SER 17 HN SER 17 8.712 -14.051 -2.359
136 HA SER 17 HA SER 17 10.866 -13.827 -0.737
137 2HB SER 17 2HB SER 17 12.214 -11.980 -1.774
138 3HB SER 17 3HB SER 17 12.470 -13.544 -2.528
139 HG SER 17 HG SER 17 10.998 -11.330 -3.521
140 QB SER 17 QB SER 17 12.342 -12.762 -2.151
141 H MET 18 HN MET 18 9.001 -11.921 -3.061
142 HA MET 18 HA MET 18 8.807 -9.662 -1.336
143 2HB MET 18 2HB MET 18 8.742 -10.031 -4.046
144 3HB MET 18 3HB MET 18 7.049 -9.651 -3.732
145 1HG MET 18 2HG MET 18 7.714 -7.624 -2.528
146 2HG MET 18 3HG MET 18 9.425 -8.050 -2.710
147 1HE MET 18 2HE MET 18 10.715 -8.179 -4.851
148 2HE MET 18 3HE MET 18 9.477 -8.949 -5.872
149 3HE MET 18 1HE MET 18 10.228 -7.426 -6.387
150 QB MET 18 QB MET 18 7.896 -9.841 -3.889
151 QG MET 18 QG MET 18 8.569 -7.837 -2.619
152 QE MET 18 QE MET 18 10.140 -8.185 -5.703
153 H SER 19 HN SER 19 7.967 -11.312 0.301
154 HA SER 19 HA SER 19 4.989 -11.432 0.377
155 2HB SER 19 2HB SER 19 6.317 -13.578 0.566
156 3HB SER 19 3HB SER 19 7.062 -12.929 2.040
157 HG SER 19 HG SER 19 4.840 -12.625 2.794
158 QB SER 19 QB SER 19 6.689 -13.253 1.303
159 H GLY 20 HN GLY 20 6.896 -9.055 0.941
160 1HA GLY 20 1HA GLY 20 5.952 -8.451 3.690
161 2HA GLY 20 2HA GLY 20 7.337 -7.708 2.854
162 QA GLY 20 QA GLY 20 6.645 -8.080 3.272
163 H THR 21 HN THR 21 5.238 -6.195 3.889
164 HA THR 21 HA THR 21 4.306 -4.791 1.455
165 HB THR 21 HB THR 21 2.828 -5.280 4.059
166 HG1 THR 21 HG1 THR 21 2.822 -6.800 2.193
167 1HG2 THR 21 2HG2 THR 21 2.051 -3.451 1.778
168 2HG2 THR 21 1HG2 THR 21 0.983 -3.998 3.090
169 3HG2 THR 21 3HG2 THR 21 2.386 -2.978 3.469
170 QG2 THR 21 QG2 THR 21 1.807 -3.476 2.779
171 H ILE 22 HN ILE 22 4.912 -2.733 1.459
172 HA ILE 22 HA ILE 22 6.689 -1.679 3.498
173 HB ILE 22 HB ILE 22 5.578 -0.741 0.865
174 2HG1 ILE 22 2HG1 ILE 22 8.375 -1.181 1.976
175 3HG1 ILE 22 3HG1 ILE 22 7.428 -2.366 1.063
176 1HG2 ILE 22 1HG2 ILE 22 7.182 0.964 2.811
177 2HG2 ILE 22 2HG2 ILE 22 6.918 1.356 1.095
178 3HG2 ILE 22 3HG2 ILE 22 5.549 1.292 2.184
179 1HD1 ILE 22 3HD1 ILE 22 7.442 -0.883 -0.912
180 2HD1 ILE 22 1HD1 ILE 22 8.483 0.270 -0.039
181 3HD1 ILE 22 2HD1 ILE 22 9.066 -1.359 -0.404
182 QG1 ILE 22 QG1 ILE 22 7.902 -1.773 1.520
183 QG2 ILE 22 QG2 ILE 22 6.550 1.204 2.030
184 QD1 ILE 22 QD1 ILE 22 8.330 -0.657 -0.452
185 CH2 TRP 23 CH2 TRP 23 -0.597 -2.672 5.482
186 H TRP 23 HN TRP 23 6.063 -0.713 5.295
187 HA TRP 23 HA TRP 23 3.504 0.809 5.367
188 2HB TRP 23 2HB TRP 23 4.990 -0.540 7.644
189 3HB TRP 23 3HB TRP 23 3.469 0.347 7.738
190 HD1 TRP 23 HD1 TRP 23 4.898 -3.067 6.904
191 HE1 TRP 23 HE1 TRP 23 3.091 -4.695 6.284
192 HE3 TRP 23 HE3 TRP 23 0.954 0.202 6.460
193 HZ2 TRP 23 HZ2 TRP 23 0.293 -4.639 5.543
194 HZ3 TRP 23 HZ3 TRP 23 -1.205 -0.607 5.575
195 HH2 TRP 23 HH2 TRP 23 -1.548 -3.020 5.106
196 QB TRP 23 QB TRP 23 4.229 -0.097 7.691
197 H VAL 24 HN VAL 24 4.311 2.761 4.658
198 HA VAL 24 HA VAL 24 6.804 3.868 5.726
199 HB VAL 24 HB VAL 24 4.572 5.301 4.267
200 1HG1 VAL 24 2HG1 VAL 24 6.483 6.673 5.392
201 2HG1 VAL 24 3HG1 VAL 24 7.546 5.926 4.183
202 3HG1 VAL 24 1HG1 VAL 24 6.179 6.935 3.673
203 1HG2 VAL 24 1HG2 VAL 24 6.919 3.733 3.138
204 2HG2 VAL 24 2HG2 VAL 24 5.186 3.474 2.828
205 3HG2 VAL 24 3HG2 VAL 24 5.984 4.921 2.212
206 QG1 VAL 24 QG1 VAL 24 6.736 6.511 4.416
207 QG2 VAL 24 QG2 VAL 24 6.030 4.043 2.726
208 QQG VAL 24 QQG VAL 24 6.383 5.277 3.571
209 H PHE 25 HN PHE 25 3.466 3.650 6.695
210 HA PHE 25 HA PHE 25 3.794 5.807 8.711
211 2HB PHE 25 2HB PHE 25 1.325 4.491 7.443
212 3HB PHE 25 3HB PHE 25 1.238 5.500 8.874
213 HD1 PHE 25 HD1 PHE 25 0.191 7.505 8.392
214 HD2 PHE 25 HD2 PHE 25 2.871 5.818 5.477
215 HE1 PHE 25 HE1 PHE 25 -0.244 9.406 6.877
216 HE2 PHE 25 HE2 PHE 25 2.542 7.790 4.023
217 HZ PHE 25 HZ PHE 25 0.947 9.572 4.701
218 QB PHE 25 QB PHE 25 1.281 4.996 8.158
219 QB PHE 25 QB PHE 25 1.281 4.996 8.158
220 H GLY 26 HN GLY 26 1.959 2.671 8.642
221 1HA GLY 26 1HA GLY 26 2.875 2.062 11.377
222 2HA GLY 26 2HA GLY 26 1.186 2.566 11.169
223 QA GLY 26 QA GLY 26 2.030 2.314 11.273
224 H CYS 27 HN CYS 27 3.023 -0.099 11.470
225 HA CYS 27 HA CYS 27 2.012 -1.715 9.315
226 2HB CYS 27 2HB CYS 27 4.227 -1.851 9.833
227 3HB CYS 27 3HB CYS 27 3.963 -2.084 11.568
228 QB CYS 27 QB CYS 27 4.095 -1.967 10.700
229 HA PRO 28 HA PRO 28 -1.545 -2.754 11.760
230 2HB PRO 28 2HB PRO 28 -2.609 -4.794 10.109
231 3HB PRO 28 3HB PRO 28 -2.846 -3.037 9.946
232 1HG PRO 28 2HG PRO 28 -1.077 -4.827 8.361
233 2HG PRO 28 3HG PRO 28 -1.798 -3.266 7.920
234 1HD PRO 28 2HD PRO 28 0.879 -3.736 8.702
235 2HD PRO 28 3HD PRO 28 0.035 -2.150 8.612
236 QB PRO 28 QB PRO 28 -2.727 -3.915 10.028
237 QG PRO 28 QG PRO 28 -1.438 -4.047 8.141
238 QD PRO 28 QD PRO 28 0.457 -2.943 8.657
239 H SER 29 HN SER 29 -2.810 -4.741 12.647
240 HA SER 29 HA SER 29 -0.955 -6.161 14.290
241 2HB SER 29 2HB SER 29 -3.446 -5.531 14.758
242 3HB SER 29 3HB SER 29 -3.832 -7.052 13.929
243 HG SER 29 HG SER 29 -2.494 -8.101 15.495
244 QB SER 29 QB SER 29 -3.639 -6.292 14.344
245 H GLY 30 HN GLY 30 -0.144 -8.253 14.122
246 1HA GLY 30 1HA GLY 30 0.015 -10.450 13.235
247 2HA GLY 30 2HA GLY 30 -0.995 -10.014 11.865
248 QA GLY 30 QA GLY 30 -0.490 -10.232 12.550
249 CH2 TRP 31 CH2 TRP 31 1.509 -7.906 4.327
250 H TRP 31 HN TRP 31 0.646 -7.393 11.582
251 HA TRP 31 HA TRP 31 2.599 -8.616 9.748
252 2HB TRP 31 2HB TRP 31 1.449 -5.846 10.126
253 3HB TRP 31 3HB TRP 31 2.776 -6.220 9.054
254 HD1 TRP 31 HD1 TRP 31 -0.899 -7.347 9.454
255 HE1 TRP 31 HE1 TRP 31 -1.791 -7.775 7.081
256 HE3 TRP 31 HE3 TRP 31 3.450 -6.867 6.951
257 HZ2 TRP 31 HZ2 TRP 31 -0.636 -7.790 4.316
258 HZ3 TRP 31 HZ3 TRP 31 3.636 -7.828 4.606
259 HH2 TRP 31 HH2 TRP 31 1.577 -8.255 3.307
260 QB TRP 31 QB TRP 31 2.112 -6.033 9.590
261 H ASN 32 HN ASN 32 4.723 -8.817 10.338
262 HA ASN 32 HA ASN 32 6.119 -6.620 11.426
263 2HB ASN 32 2HB ASN 32 5.084 -7.356 13.611
264 3HB ASN 32 3HB ASN 32 5.831 -8.937 13.377
265 1HD2 ASN 32 2HD2 ASN 32 7.144 -5.526 12.896
266 2HD2 ASN 32 1HD2 ASN 32 8.448 -5.805 14.031
267 QB ASN 32 QB ASN 32 5.457 -8.146 13.494
268 QD2 ASN 32 QD2 ASN 32 7.796 -5.666 13.464
269 H ASN 33 HN ASN 33 8.257 -6.814 11.051
270 HA ASN 33 HA ASN 33 10.261 -7.504 10.914
271 2HB ASN 33 2HB ASN 33 9.430 -10.471 10.978
272 3HB ASN 33 3HB ASN 33 11.020 -9.806 11.326
273 1HD2 ASN 33 2HD2 ASN 33 8.114 -9.834 14.191
274 2HD2 ASN 33 1HD2 ASN 33 7.755 -10.323 12.526
275 QB ASN 33 QB ASN 33 10.225 -10.139 11.152
276 QD2 ASN 33 QD2 ASN 33 7.935 -10.078 13.358
277 H CYS 34 HN CYS 34 10.440 -6.575 8.729
278 HA CYS 34 HA CYS 34 11.194 -8.574 6.764
279 2HB CYS 34 2HB CYS 34 8.590 -8.175 6.910
280 3HB CYS 34 3HB CYS 34 8.938 -6.659 6.150
281 QB CYS 34 QB CYS 34 8.764 -7.417 6.530
282 H GLU 35 HN GLU 35 12.649 -7.482 5.330
283 HA GLU 35 HA GLU 35 12.680 -4.539 5.223
284 2HB GLU 35 2HB GLU 35 15.115 -6.159 6.092
285 3HB GLU 35 3HB GLU 35 14.997 -4.405 5.913
286 1HG GLU 35 2HG GLU 35 13.294 -4.392 7.779
287 2HG GLU 35 3HG GLU 35 13.609 -6.121 8.033
288 QB GLU 35 QB GLU 35 15.056 -5.282 6.003
289 QG GLU 35 QG GLU 35 13.451 -5.256 7.906
290 H GLY 36 HN GLY 36 12.534 -4.363 2.989
291 1HA GLY 36 1HA GLY 36 13.989 -6.359 1.266
292 2HA GLY 36 2HA GLY 36 12.356 -5.752 0.994
293 QA GLY 36 QA GLY 36 13.173 -6.056 1.130
294 NH1 ARG 37 NH1 ARG 37 16.966 -5.631 -4.647
295 NH2 ARG 37 NH2 ARG 37 15.537 -5.521 -6.471
296 H ARG 37 HN ARG 37 15.709 -5.014 0.705
297 HA ARG 37 HA ARG 37 16.893 -3.497 -0.429
298 2HB ARG 37 2HB ARG 37 14.266 -2.333 -1.501
299 3HB ARG 37 3HB ARG 37 15.826 -1.585 -1.686
300 1HG ARG 37 2HG ARG 37 15.346 -2.703 -3.659
301 2HG ARG 37 3HG ARG 37 16.717 -3.510 -2.890
302 1HD ARG 37 2HD ARG 37 15.338 -5.433 -2.317
303 2HD ARG 37 3HD ARG 37 13.861 -4.494 -2.544
304 HE ARG 37 HE ARG 37 13.802 -5.015 -4.721
305 1HH1 ARG 37 2HH1 ARG 37 17.123 -5.541 -3.663
306 2HH1 ARG 37 1HH1 ARG 37 17.722 -5.879 -5.253
307 1HH2 ARG 37 2HH2 ARG 37 14.627 -5.348 -6.848
308 2HH2 ARG 37 1HH2 ARG 37 16.291 -5.769 -7.079
309 QB ARG 37 QB ARG 37 15.046 -1.959 -1.594
310 QG ARG 37 QG ARG 37 16.031 -3.106 -3.274
311 QD ARG 37 QD ARG 37 14.599 -4.964 -2.431
312 QH1 ARG 37 QH1 ARG 37 17.422 -5.710 -4.458
313 QH2 ARG 37 QH2 ARG 37 15.459 -5.559 -6.963
314 H ALA 38 HN ALA 38 17.612 -1.379 -0.031
315 HA ALA 38 HA ALA 38 16.992 -0.313 2.602
316 1HB ALA 38 3HB ALA 38 19.267 -0.266 1.696
317 2HB ALA 38 1HB ALA 38 18.737 0.758 0.343
318 3HB ALA 38 2HB ALA 38 18.681 1.380 2.007
319 QB ALA 38 QB ALA 38 18.895 0.624 1.349
320 H ILE 39 HN ILE 39 14.633 -0.228 1.912
321 HA ILE 39 HA ILE 39 13.780 2.108 0.368
322 HB ILE 39 HB ILE 39 11.540 1.458 1.027
323 2HG1 ILE 39 2HG1 ILE 39 12.955 0.088 3.245
324 3HG1 ILE 39 3HG1 ILE 39 11.343 0.790 3.147
325 1HG2 ILE 39 3HG2 ILE 39 12.663 0.298 -0.830
326 2HG2 ILE 39 1HG2 ILE 39 13.144 -1.000 0.272
327 3HG2 ILE 39 2HG2 ILE 39 11.428 -0.692 -0.056
328 1HD1 ILE 39 3HD1 ILE 39 10.576 -1.299 1.979
329 2HD1 ILE 39 1HD1 ILE 39 12.205 -1.976 2.222
330 3HD1 ILE 39 2HD1 ILE 39 11.208 -1.545 3.620
331 QG1 ILE 39 QG1 ILE 39 12.149 0.439 3.196
332 QG2 ILE 39 QG2 ILE 39 12.412 -0.465 -0.205
333 QD1 ILE 39 QD1 ILE 39 11.330 -1.607 2.607
334 H ILE 40 HN ILE 40 12.162 3.589 1.478
335 HA ILE 40 HA ILE 40 13.585 4.953 3.646
336 HB ILE 40 HB ILE 40 11.120 5.748 2.050
337 2HG1 ILE 40 2HG1 ILE 40 14.048 6.501 1.581
338 3HG1 ILE 40 3HG1 ILE 40 13.155 5.328 0.610
339 1HG2 ILE 40 1HG2 ILE 40 11.372 7.019 4.166
340 2HG2 ILE 40 2HG2 ILE 40 13.052 7.403 3.741
341 3HG2 ILE 40 3HG2 ILE 40 11.706 8.053 2.785
342 1HD1 ILE 40 3HD1 ILE 40 11.504 7.096 -0.002
343 2HD1 ILE 40 1HD1 ILE 40 12.595 8.293 0.744
344 3HD1 ILE 40 2HD1 ILE 40 13.151 7.318 -0.622
345 QG1 ILE 40 QG1 ILE 40 13.601 5.915 1.095
346 QG2 ILE 40 QG2 ILE 40 12.043 7.492 3.564
347 QD1 ILE 40 QD1 ILE 40 12.417 7.569 0.040
348 H GLY 41 HN GLY 41 10.562 3.189 3.119
349 1HA GLY 41 1HA GLY 41 9.407 3.893 5.741
350 2HA GLY 41 2HA GLY 41 8.720 2.843 4.488
351 QA GLY 41 QA GLY 41 9.064 3.368 5.115
352 OH TYR 42 OH TYR 42 6.325 4.973 10.496
353 H TYR 42 HN TYR 42 8.236 1.568 6.533
354 HA TYR 42 HA TYR 42 10.503 -0.244 7.268
355 2HB TYR 42 2HB TYR 42 8.640 -0.552 9.234
356 3HB TYR 42 3HB TYR 42 10.075 0.445 9.339
357 HD1 TYR 42 HD1 TYR 42 9.897 2.945 8.615
358 HD2 TYR 42 HD2 TYR 42 6.543 0.485 9.780
359 HE1 TYR 42 HE1 TYR 42 8.623 4.973 9.250
360 HE2 TYR 42 HE2 TYR 42 5.362 2.496 10.576
361 HH TYR 42 HH TYR 42 5.415 4.807 10.762
362 QB TYR 42 QB TYR 42 9.358 -0.054 9.286
363 QB TYR 42 QB TYR 42 9.358 -0.054 9.286
364 H CYS 43 HN CYS 43 10.105 -2.406 6.623
365 HA CYS 43 HA CYS 43 7.490 -2.761 5.217
366 2HB CYS 43 2HB CYS 43 9.745 -3.158 4.059
367 3HB CYS 43 3HB CYS 43 9.824 -4.623 5.026
368 QB CYS 43 QB CYS 43 9.785 -3.891 4.543
369 H CYS 44 HN CYS 44 6.377 -4.788 5.734
370 HA CYS 44 HA CYS 44 7.344 -6.230 8.158
371 2HB CYS 44 2HB CYS 44 4.544 -5.144 7.797
372 3HB CYS 44 3HB CYS 44 4.982 -6.446 8.892
373 QB CYS 44 QB CYS 44 4.763 -5.795 8.344
374 H LYS 45 HN LYS 45 6.403 -8.294 8.074
375 HA LYS 45 HA LYS 45 5.358 -9.570 5.608
376 2HB LYS 45 2HB LYS 45 7.728 -9.973 6.578
377 3HB LYS 45 3HB LYS 45 6.976 -10.503 7.990
378 1HG LYS 45 2HG LYS 45 5.800 -12.219 6.346
379 2HG LYS 45 3HG LYS 45 7.087 -11.857 5.225
380 1HD LYS 45 2HD LYS 45 7.320 -13.858 6.897
381 2HD LYS 45 3HD LYS 45 8.699 -12.789 6.737
382 2HE LYS 45 2HE LYS 45 8.270 -13.633 9.044
383 3HE LYS 45 3HE LYS 45 8.510 -11.902 8.909
384 1HZ LYS 45 2HZ LYS 45 5.865 -13.132 9.140
385 2HZ LYS 45 3HZ LYS 45 6.751 -12.639 10.421
386 3HZ LYS 45 1HZ LYS 45 6.249 -11.554 9.309
387 QB LYS 45 QB LYS 45 7.352 -10.238 7.284
388 QG LYS 45 QG LYS 45 6.444 -12.038 5.786
389 QD LYS 45 QD LYS 45 8.009 -13.323 6.817
390 QE LYS 45 QE LYS 45 8.390 -12.767 8.976
391 QZ LYS 45 QZ LYS 45 6.460 -12.091 9.889
392 H GLN 46 HN GLN 46 3.461 -10.817 6.047
393 HA GLN 46 HA GLN 46 1.761 -10.389 8.213
394 2HB GLN 46 2HB GLN 46 1.905 -12.888 6.489
395 3HB GLN 46 3HB GLN 46 0.490 -12.320 7.376
396 1HG GLN 46 2HG GLN 46 -0.142 -11.105 5.599
397 2HG GLN 46 3HG GLN 46 1.294 -10.111 5.806
398 1HE2 GLN 46 1HE2 GLN 46 0.434 -13.375 4.562
399 2HE2 GLN 46 2HE2 GLN 46 1.296 -13.211 3.041
400 QB GLN 46 QB GLN 46 1.197 -12.604 6.932
401 QG GLN 46 QG GLN 46 0.576 -10.608 5.702
402 QE2 GLN 46 QE2 GLN 46 0.865 -13.293 3.802
Start of MODEL 7
Raw file had 402 H/Q atoms
1 1H GLY 1 1HN GLY 1 -0.297 -0.267 1.459
2 2H GLY 1 2HN GLY 1 -0.408 0.821 0.215
3 3H GLY 1 3HN GLY 1 -0.702 -0.785 -0.061
4 1HA GLY 1 1HA GLY 1 1.459 -1.395 0.144
5 2HA GLY 1 2HA GLY 1 1.557 0.122 -0.793
6 QA GLY 1 QA GLY 1 1.508 -0.637 -0.324
7 H ALA 2 HN ALA 2 3.734 0.490 0.140
8 HA ALA 2 HA ALA 2 3.637 1.392 2.969
9 1HB ALA 2 3HB ALA 2 4.680 -0.893 2.829
10 2HB ALA 2 1HB ALA 2 5.908 -0.221 1.732
11 3HB ALA 2 2HB ALA 2 5.801 0.349 3.412
12 QB ALA 2 QB ALA 2 5.463 -0.255 2.658
13 H ALA 3 HN ALA 3 3.589 2.747 0.297
14 HA ALA 3 HA ALA 3 4.968 4.992 1.188
15 1HB ALA 3 1HB ALA 3 7.047 3.930 0.403
16 2HB ALA 3 2HB ALA 3 6.332 3.698 -1.210
17 3HB ALA 3 3HB ALA 3 6.660 5.333 -0.595
18 QB ALA 3 QB ALA 3 6.680 4.320 -0.467
19 H CYS 4 HN CYS 4 4.721 6.903 -0.151
20 HA CYS 4 HA CYS 4 2.680 6.912 -2.234
21 2HB CYS 4 2HB CYS 4 0.990 7.953 -0.536
22 3HB CYS 4 3HB CYS 4 1.289 6.224 -0.441
23 QB CYS 4 QB CYS 4 1.140 7.089 -0.488
24 H LEU 5 HN LEU 5 1.859 8.983 -2.725
25 HA LEU 5 HA LEU 5 3.831 11.061 -2.600
26 2HB LEU 5 2HB LEU 5 0.933 11.266 -3.489
27 3HB LEU 5 3HB LEU 5 2.201 12.474 -3.675
28 HG LEU 5 HG LEU 5 1.891 9.864 -5.155
29 1HD1 LEU 5 2HD1 LEU 5 0.943 12.118 -6.000
30 2HD1 LEU 5 3HD1 LEU 5 2.627 12.671 -6.070
31 3HD1 LEU 5 1HD1 LEU 5 2.110 11.339 -7.100
32 1HD2 LEU 5 2HD2 LEU 5 4.400 11.596 -5.064
33 2HD2 LEU 5 3HD2 LEU 5 4.262 9.942 -4.418
34 3HD2 LEU 5 1HD2 LEU 5 4.124 10.231 -6.148
35 QB LEU 5 QB LEU 5 1.567 11.870 -3.582
36 QD1 LEU 5 QD1 LEU 5 1.893 12.043 -6.390
37 QD2 LEU 5 QD2 LEU 5 4.262 10.590 -5.210
38 QQD LEU 5 QQD LEU 5 3.078 11.316 -5.800
39 H CYS 6 HN CYS 6 4.063 12.698 -1.312
40 HA CYS 6 HA CYS 6 2.220 13.100 0.938
41 2HB CYS 6 2HB CYS 6 5.087 13.590 0.351
42 3HB CYS 6 3HB CYS 6 4.318 14.972 1.097
43 QB CYS 6 QB CYS 6 4.702 14.281 0.724
44 H LYS 7 HN LYS 7 2.002 15.505 1.545
45 HA LYS 7 HA LYS 7 0.164 16.689 -0.155
46 2HB LYS 7 2HB LYS 7 0.063 16.885 2.212
47 3HB LYS 7 3HB LYS 7 1.656 17.628 2.330
48 1HG LYS 7 2HG LYS 7 -0.412 19.055 0.675
49 2HG LYS 7 3HG LYS 7 -0.663 19.017 2.416
50 1HD LYS 7 2HD LYS 7 1.418 20.047 2.924
51 2HD LYS 7 3HD LYS 7 2.028 19.863 1.275
52 2HE LYS 7 2HE LYS 7 0.293 21.416 0.427
53 3HE LYS 7 3HE LYS 7 -0.313 21.646 2.078
54 1HZ LYS 7 3HZ LYS 7 2.399 22.304 1.165
55 2HZ LYS 7 1HZ LYS 7 1.191 23.381 1.383
56 3HZ LYS 7 2HZ LYS 7 1.801 22.568 2.662
57 QB LYS 7 QB LYS 7 0.859 17.257 2.271
58 QG LYS 7 QG LYS 7 -0.538 19.036 1.546
59 QD LYS 7 QD LYS 7 1.723 19.955 2.099
60 QE LYS 7 QE LYS 7 -0.010 21.531 1.253
61 QZ LYS 7 QZ LYS 7 1.827 22.876 1.282
62 H SER 8 HN SER 8 3.578 17.478 0.368
63 HA SER 8 HA SER 8 4.009 18.034 -2.226
64 2HB SER 8 2HB SER 8 3.098 20.588 -1.013
65 3HB SER 8 3HB SER 8 4.669 20.680 -1.832
66 HG SER 8 HG SER 8 2.305 19.643 -2.934
67 QB SER 8 QB SER 8 3.884 20.634 -1.423
68 H ASP 9 HN ASP 9 5.479 16.606 -1.437
69 HA ASP 9 HA ASP 9 7.728 17.639 0.157
70 2HB ASP 9 2HB ASP 9 6.701 15.185 0.051
71 3HB ASP 9 3HB ASP 9 7.715 15.008 -1.356
72 QB ASP 9 QB ASP 9 7.208 15.097 -0.652
73 H GLY 10 HN GLY 10 9.682 16.370 -1.659
74 1HA GLY 10 1HA GLY 10 10.270 18.613 -3.368
75 2HA GLY 10 2HA GLY 10 11.018 17.010 -3.476
76 QA GLY 10 QA GLY 10 10.644 17.812 -3.422
77 HA PRO 11 HA PRO 11 8.380 17.232 -7.314
78 2HB PRO 11 2HB PRO 11 10.307 17.334 -9.224
79 3HB PRO 11 3HB PRO 11 9.693 18.810 -8.424
80 1HG PRO 11 2HG PRO 11 12.228 17.273 -7.808
81 2HG PRO 11 3HG PRO 11 12.023 19.039 -7.968
82 1HD PRO 11 2HD PRO 11 12.043 17.690 -5.542
83 2HD PRO 11 3HD PRO 11 11.140 19.212 -5.797
84 QB PRO 11 QB PRO 11 10.000 18.072 -8.824
85 QG PRO 11 QG PRO 11 12.125 18.156 -7.888
86 QD PRO 11 QD PRO 11 11.592 18.451 -5.669
87 H ASN 12 HN ASN 12 7.872 15.145 -8.166
88 HA ASN 12 HA ASN 12 10.008 13.185 -8.621
89 2HB ASN 12 2HB ASN 12 9.282 13.063 -6.148
90 3HB ASN 12 3HB ASN 12 7.773 12.406 -6.782
91 1HD2 ASN 12 1HD2 ASN 12 9.867 11.092 -8.992
92 2HD2 ASN 12 2HD2 ASN 12 10.306 9.680 -8.061
93 QB ASN 12 QB ASN 12 8.528 12.734 -6.465
94 QD2 ASN 12 QD2 ASN 12 10.087 10.386 -8.526
95 H THR 13 HN THR 13 7.650 11.316 -8.493
96 HA THR 13 HA THR 13 6.773 11.418 -11.208
97 HB THR 13 HB THR 13 6.881 9.373 -9.851
98 HG1 THR 13 HG1 THR 13 4.997 8.512 -10.722
99 1HG2 THR 13 3HG2 THR 13 5.914 10.199 -7.728
100 2HG2 THR 13 2HG2 THR 13 4.344 10.438 -8.530
101 3HG2 THR 13 1HG2 THR 13 5.009 8.806 -8.343
102 QG2 THR 13 QG2 THR 13 5.089 9.814 -8.200
103 NH1 ARG 14 NH1 ARG 14 -1.259 14.045 -16.553
104 NH2 ARG 14 NH2 ARG 14 0.510 15.142 -15.535
105 H ARG 14 HN ARG 14 4.246 11.042 -11.328
106 HA ARG 14 HA ARG 14 3.493 13.654 -11.993
107 2HB ARG 14 2HB ARG 14 2.949 11.295 -12.952
108 3HB ARG 14 3HB ARG 14 1.519 11.339 -11.938
109 1HG ARG 14 2HG ARG 14 2.290 13.478 -14.002
110 2HG ARG 14 3HG ARG 14 1.392 12.012 -14.387
111 1HD ARG 14 2HD ARG 14 -0.242 12.769 -12.485
112 2HD ARG 14 3HD ARG 14 0.417 14.380 -12.757
113 HE ARG 14 HE ARG 14 -1.446 12.867 -14.352
114 1HH1 ARG 14 2HH1 ARG 14 -1.985 13.358 -16.522
115 2HH1 ARG 14 1HH1 ARG 14 -1.125 14.594 -17.378
116 1HH2 ARG 14 2HH2 ARG 14 1.107 15.275 -14.744
117 2HH2 ARG 14 1HH2 ARG 14 0.644 15.691 -16.360
118 QB ARG 14 QB ARG 14 2.234 11.317 -12.445
119 QG ARG 14 QG ARG 14 1.841 12.745 -14.194
120 QD ARG 14 QD ARG 14 0.087 13.575 -12.621
121 QH1 ARG 14 QH1 ARG 14 -1.555 13.976 -16.950
122 QH2 ARG 14 QH2 ARG 14 0.875 15.483 -15.552
123 H GLY 15 HN GLY 15 3.057 15.186 -10.480
124 1HA GLY 15 1HA GLY 15 1.084 16.215 -9.449
125 2HA GLY 15 2HA GLY 15 0.830 14.744 -8.512
126 QA GLY 15 QA GLY 15 0.957 15.480 -8.981
127 H ASN 16 HN ASN 16 2.107 14.375 -6.717
128 HA ASN 16 HA ASN 16 3.876 16.598 -5.743
129 2HB ASN 16 2HB ASN 16 2.185 14.613 -4.185
130 3HB ASN 16 3HB ASN 16 3.279 15.830 -3.493
131 1HD2 ASN 16 1HD2 ASN 16 0.931 15.900 -2.493
132 2HD2 ASN 16 2HD2 ASN 16 0.354 17.499 -2.854
133 QB ASN 16 QB ASN 16 2.732 15.222 -3.839
134 QD2 ASN 16 QD2 ASN 16 0.642 16.699 -2.674
135 H SER 17 HN SER 17 4.837 14.635 -3.532
136 HA SER 17 HA SER 17 6.460 12.857 -5.257
137 2HB SER 17 2HB SER 17 7.921 14.588 -5.089
138 3HB SER 17 3HB SER 17 7.414 15.035 -3.453
139 HG SER 17 HG SER 17 9.474 13.529 -4.104
140 QB SER 17 QB SER 17 7.668 14.811 -4.271
141 H MET 18 HN MET 18 7.192 10.989 -4.558
142 HA MET 18 HA MET 18 5.667 9.812 -2.466
143 2HB MET 18 2HB MET 18 6.177 8.973 -4.917
144 3HB MET 18 3HB MET 18 7.704 8.408 -4.230
145 1HG MET 18 2HG MET 18 6.316 7.229 -2.472
146 2HG MET 18 3HG MET 18 4.889 7.697 -3.418
147 1HE MET 18 3HE MET 18 4.495 6.875 -5.958
148 2HE MET 18 1HE MET 18 6.174 7.239 -6.445
149 3HE MET 18 2HE MET 18 5.495 5.627 -6.739
150 QB MET 18 QB MET 18 6.940 8.691 -4.574
151 QG MET 18 QG MET 18 5.602 7.463 -2.945
152 QE MET 18 QE MET 18 5.388 6.580 -6.381
153 H SER 19 HN SER 19 7.129 11.464 -1.160
154 HA SER 19 HA SER 19 9.511 10.006 -0.092
155 2HB SER 19 2HB SER 19 9.527 12.527 -0.582
156 3HB SER 19 3HB SER 19 8.502 12.691 0.857
157 HG SER 19 HG SER 19 11.082 11.492 0.717
158 QB SER 19 QB SER 19 9.014 12.609 0.138
159 H GLY 20 HN GLY 20 6.157 9.859 0.371
160 1HA GLY 20 1HA GLY 20 6.349 9.702 3.316
161 2HA GLY 20 2HA GLY 20 4.880 9.862 2.355
162 QA GLY 20 QA GLY 20 5.615 9.782 2.836
163 H THR 21 HN THR 21 5.361 7.988 4.409
164 HA THR 21 HA THR 21 5.445 5.280 3.196
165 HB THR 21 HB THR 21 5.523 6.260 6.049
166 HG1 THR 21 HG1 THR 21 7.481 5.183 4.287
167 1HG2 THR 21 2HG2 THR 21 5.808 3.426 4.980
168 2HG2 THR 21 1HG2 THR 21 6.194 3.956 6.631
169 3HG2 THR 21 3HG2 THR 21 4.531 4.046 6.053
170 QG2 THR 21 QG2 THR 21 5.511 3.809 5.888
171 H ILE 22 HN ILE 22 3.564 4.002 3.313
172 HA ILE 22 HA ILE 22 1.010 5.366 3.784
173 HB ILE 22 HB ILE 22 1.933 2.775 2.630
174 2HG1 ILE 22 2HG1 ILE 22 0.106 4.985 1.659
175 3HG1 ILE 22 3HG1 ILE 22 1.809 4.675 1.236
176 1HG2 ILE 22 1HG2 ILE 22 -0.972 3.183 3.397
177 2HG2 ILE 22 2HG2 ILE 22 -0.351 1.900 2.350
178 3HG2 ILE 22 3HG2 ILE 22 0.139 1.928 4.022
179 1HD1 ILE 22 2HD1 ILE 22 1.143 2.500 0.236
180 2HD1 ILE 22 3HD1 ILE 22 -0.570 2.986 0.440
181 3HD1 ILE 22 1HD1 ILE 22 0.513 3.919 -0.596
182 QG1 ILE 22 QG1 ILE 22 0.957 4.830 1.447
183 QG2 ILE 22 QG2 ILE 22 -0.395 2.337 3.256
184 QD1 ILE 22 QD1 ILE 22 0.362 3.135 0.027
185 CH2 TRP 23 CH2 TRP 23 4.645 2.883 10.369
186 H TRP 23 HN TRP 23 -0.423 4.967 5.441
187 HA TRP 23 HA TRP 23 0.198 2.911 7.477
188 2HB TRP 23 2HB TRP 23 -0.434 5.841 7.949
189 3HB TRP 23 3HB TRP 23 -0.473 4.606 9.219
190 HD1 TRP 23 HD1 TRP 23 1.813 6.949 7.528
191 HE1 TRP 23 HE1 TRP 23 4.268 6.554 8.196
192 HE3 TRP 23 HE3 TRP 23 1.273 2.501 9.987
193 HZ2 TRP 23 HZ2 TRP 23 5.794 4.548 9.613
194 HZ3 TRP 23 HZ3 TRP 23 3.235 1.375 10.993
195 HH2 TRP 23 HH2 TRP 23 5.498 2.380 10.802
196 QB TRP 23 QB TRP 23 -0.454 5.223 8.584
197 H VAL 24 HN VAL 24 -1.753 2.405 8.739
198 HA VAL 24 HA VAL 24 -3.898 2.017 6.870
199 HB VAL 24 HB VAL 24 -3.740 1.357 9.851
200 1HG1 VAL 24 2HG1 VAL 24 -5.585 0.297 7.660
201 2HG1 VAL 24 3HG1 VAL 24 -5.480 -0.331 9.319
202 3HG1 VAL 24 1HG1 VAL 24 -6.070 1.308 9.034
203 1HG2 VAL 24 1HG2 VAL 24 -3.088 -0.312 7.382
204 2HG2 VAL 24 2HG2 VAL 24 -1.924 0.253 8.599
205 3HG2 VAL 24 3HG2 VAL 24 -3.161 -0.926 9.046
206 QG1 VAL 24 QG1 VAL 24 -5.712 0.425 8.671
207 QG2 VAL 24 QG2 VAL 24 -2.724 -0.328 8.342
208 QQG VAL 24 QQG VAL 24 -4.218 0.048 8.507
209 H PHE 25 HN PHE 25 -4.081 3.517 10.141
210 HA PHE 25 HA PHE 25 -5.886 5.614 9.037
211 2HB PHE 25 2HB PHE 25 -6.259 4.032 11.593
212 3HB PHE 25 3HB PHE 25 -7.272 5.387 11.067
213 HD1 PHE 25 HD1 PHE 25 -7.755 2.236 11.764
214 HD2 PHE 25 HD2 PHE 25 -7.745 4.640 8.174
215 HE1 PHE 25 HE1 PHE 25 -9.204 0.580 10.638
216 HE2 PHE 25 HE2 PHE 25 -9.186 2.979 7.063
217 HZ PHE 25 HZ PHE 25 -9.907 0.932 8.279
218 QB PHE 25 QB PHE 25 -6.766 4.709 11.330
219 QB PHE 25 QB PHE 25 -6.766 4.709 11.330
220 H GLY 26 HN GLY 26 -4.497 4.736 12.245
221 1HA GLY 26 1HA GLY 26 -3.667 7.517 12.659
222 2HA GLY 26 2HA GLY 26 -3.591 6.177 13.807
223 QA GLY 26 QA GLY 26 -3.629 6.847 13.233
224 H CYS 27 HN CYS 27 -1.506 8.138 12.990
225 HA CYS 27 HA CYS 27 0.508 6.530 11.495
226 2HB CYS 27 2HB CYS 27 -0.254 8.835 10.806
227 3HB CYS 27 3HB CYS 27 0.677 9.477 12.177
228 QB CYS 27 QB CYS 27 0.212 9.156 11.491
229 HA PRO 28 HA PRO 28 2.337 6.173 15.604
230 2HB PRO 28 2HB PRO 28 5.105 5.921 14.772
231 3HB PRO 28 3HB PRO 28 3.979 4.650 15.308
232 1HG PRO 28 2HG PRO 28 4.933 4.972 12.662
233 2HG PRO 28 3HG PRO 28 3.526 4.000 13.170
234 1HD PRO 28 2HD PRO 28 3.598 6.719 11.955
235 2HD PRO 28 3HD PRO 28 2.361 5.437 11.815
236 QB PRO 28 QB PRO 28 4.542 5.286 15.040
237 QG PRO 28 QG PRO 28 4.229 4.486 12.916
238 QD PRO 28 QD PRO 28 2.980 6.078 11.885
239 H SER 29 HN SER 29 3.444 7.377 17.210
240 HA SER 29 HA SER 29 3.839 10.144 16.902
241 2HB SER 29 2HB SER 29 4.613 8.082 18.946
242 3HB SER 29 3HB SER 29 5.540 9.583 18.962
243 HG SER 29 HG SER 29 2.699 9.502 18.966
244 QB SER 29 QB SER 29 5.076 8.833 18.954
245 H GLY 30 HN GLY 30 5.447 11.415 16.205
246 1HA GLY 30 1HA GLY 30 7.776 11.904 15.769
247 2HA GLY 30 2HA GLY 30 8.053 10.216 15.327
248 QA GLY 30 QA GLY 30 7.915 11.060 15.548
249 CH2 TRP 31 CH2 TRP 31 7.964 6.620 7.950
250 H TRP 31 HN TRP 31 5.354 10.134 13.847
251 HA TRP 31 HA TRP 31 6.515 11.047 11.306
252 2HB TRP 31 2HB TRP 31 4.186 9.307 12.063
253 3HB TRP 31 3HB TRP 31 4.576 9.798 10.422
254 HD1 TRP 31 HD1 TRP 31 6.498 7.954 13.265
255 HE1 TRP 31 HE1 TRP 31 7.919 6.132 12.209
256 HE3 TRP 31 HE3 TRP 31 5.575 9.025 8.412
257 HZ2 TRP 31 HZ2 TRP 31 8.743 5.358 9.520
258 HZ3 TRP 31 HZ3 TRP 31 7.035 8.043 6.622
259 HH2 TRP 31 HH2 TRP 31 8.581 6.176 7.182
260 QB TRP 31 QB TRP 31 4.381 9.552 11.243
261 H ASN 32 HN ASN 32 5.735 12.727 10.028
262 HA ASN 32 HA ASN 32 3.473 14.342 11.028
263 2HB ASN 32 2HB ASN 32 5.459 15.507 10.078
264 3HB ASN 32 3HB ASN 32 5.212 14.708 8.504
265 1HD2 ASN 32 1HD2 ASN 32 4.642 16.518 7.260
266 2HD2 ASN 32 2HD2 ASN 32 3.213 17.478 7.611
267 QB ASN 32 QB ASN 32 5.335 15.108 9.291
268 QD2 ASN 32 QD2 ASN 32 3.928 16.998 7.436
269 H ASN 33 HN ASN 33 1.465 14.478 9.811
270 HA ASN 33 HA ASN 33 0.780 11.999 8.458
271 2HB ASN 33 2HB ASN 33 -0.695 13.716 9.907
272 3HB ASN 33 3HB ASN 33 -1.048 14.381 8.309
273 1HD2 ASN 33 1HD2 ASN 33 -1.925 12.696 6.611
274 2HD2 ASN 33 2HD2 ASN 33 -2.770 11.327 7.266
275 QB ASN 33 QB ASN 33 -0.872 14.049 9.108
276 QD2 ASN 33 QD2 ASN 33 -2.348 12.012 6.938
277 H CYS 34 HN CYS 34 -0.132 11.855 6.075
278 HA CYS 34 HA CYS 34 0.240 14.321 4.579
279 2HB CYS 34 2HB CYS 34 2.004 11.966 4.216
280 3HB CYS 34 3HB CYS 34 1.158 12.457 2.745
281 QB CYS 34 QB CYS 34 1.581 12.212 3.480
282 H GLU 35 HN GLU 35 -0.796 14.144 2.610
283 HA GLU 35 HA GLU 35 -2.991 12.245 2.347
284 2HB GLU 35 2HB GLU 35 -4.314 13.946 1.173
285 3HB GLU 35 3HB GLU 35 -4.038 14.343 2.866
286 1HG GLU 35 2HG GLU 35 -3.832 16.378 1.809
287 2HG GLU 35 3HG GLU 35 -2.156 15.918 2.057
288 QB GLU 35 QB GLU 35 -4.176 14.144 2.020
289 QG GLU 35 QG GLU 35 -2.994 16.148 1.933
290 H GLY 36 HN GLY 36 -3.116 11.541 0.280
291 1HA GLY 36 1HA GLY 36 -0.988 12.070 -1.683
292 2HA GLY 36 2HA GLY 36 -0.999 10.470 -0.879
293 QA GLY 36 QA GLY 36 -0.993 11.270 -1.281
294 NH1 ARG 37 NH1 ARG 37 -1.123 16.200 -5.996
295 NH2 ARG 37 NH2 ARG 37 -2.154 15.845 -3.937
296 H ARG 37 HN ARG 37 -1.506 11.126 -3.701
297 HA ARG 37 HA ARG 37 -4.446 10.636 -3.998
298 2HB ARG 37 2HB ARG 37 -2.453 12.178 -5.679
299 3HB ARG 37 3HB ARG 37 -4.144 11.852 -6.125
300 1HG ARG 37 2HG ARG 37 -4.852 12.842 -3.890
301 2HG ARG 37 3HG ARG 37 -3.183 13.359 -3.633
302 1HD ARG 37 2HD ARG 37 -4.950 14.061 -6.006
303 2HD ARG 37 3HD ARG 37 -4.709 15.107 -4.597
304 HE ARG 37 HE ARG 37 -2.953 14.733 -6.871
305 1HH1 ARG 37 2HH1 ARG 37 -1.097 16.052 -6.985
306 2HH1 ARG 37 1HH1 ARG 37 -0.417 16.754 -5.555
307 1HH2 ARG 37 2HH2 ARG 37 -2.892 15.434 -3.402
308 2HH2 ARG 37 1HH2 ARG 37 -1.454 16.396 -3.483
309 QB ARG 37 QB ARG 37 -3.299 12.015 -5.902
310 QG ARG 37 QG ARG 37 -4.017 13.101 -3.761
311 QD ARG 37 QD ARG 37 -4.830 14.584 -5.301
312 QH1 ARG 37 QH1 ARG 37 -0.757 16.403 -6.270
313 QH2 ARG 37 QH2 ARG 37 -2.173 15.915 -3.442
314 H ALA 38 HN ALA 38 -3.236 8.440 -3.515
315 HA ALA 38 HA ALA 38 -4.010 6.790 -5.656
316 1HB ALA 38 3HB ALA 38 -0.973 6.978 -5.361
317 2HB ALA 38 1HB ALA 38 -1.839 5.739 -6.294
318 3HB ALA 38 2HB ALA 38 -1.901 7.419 -6.810
319 QB ALA 38 QB ALA 38 -1.571 6.712 -6.155
320 H ILE 39 HN ILE 39 -4.681 6.887 -2.945
321 HA ILE 39 HA ILE 39 -3.611 4.360 -1.907
322 HB ILE 39 HB ILE 39 -3.116 5.333 0.296
323 2HG1 ILE 39 2HG1 ILE 39 -3.539 8.026 -1.065
324 3HG1 ILE 39 3HG1 ILE 39 -4.487 7.345 0.262
325 1HG2 ILE 39 2HG2 ILE 39 -1.345 4.980 -1.462
326 2HG2 ILE 39 3HG2 ILE 39 -1.412 6.726 -1.797
327 3HG2 ILE 39 1HG2 ILE 39 -0.952 6.135 -0.187
328 1HD1 ILE 39 1HD1 ILE 39 -2.367 7.348 1.664
329 2HD1 ILE 39 2HD1 ILE 39 -1.595 8.269 0.350
330 3HD1 ILE 39 3HD1 ILE 39 -2.984 8.950 1.208
331 QG1 ILE 39 QG1 ILE 39 -4.013 7.686 -0.401
332 QG2 ILE 39 QG2 ILE 39 -1.236 5.947 -1.149
333 QD1 ILE 39 QD1 ILE 39 -2.315 8.189 1.074
334 H ILE 40 HN ILE 40 -4.818 3.487 -0.254
335 HA ILE 40 HA ILE 40 -7.656 4.378 -0.044
336 HB ILE 40 HB ILE 40 -6.301 1.757 0.730
337 2HG1 ILE 40 2HG1 ILE 40 -6.174 1.941 -1.673
338 3HG1 ILE 40 3HG1 ILE 40 -7.386 0.752 -1.221
339 1HG2 ILE 40 3HG2 ILE 40 -9.240 2.537 0.626
340 2HG2 ILE 40 1HG2 ILE 40 -8.634 0.877 0.815
341 3HG2 ILE 40 2HG2 ILE 40 -8.290 2.089 2.053
342 1HD1 ILE 40 3HD1 ILE 40 -9.188 2.429 -1.671
343 2HD1 ILE 40 1HD1 ILE 40 -7.945 3.598 -2.176
344 3HD1 ILE 40 2HD1 ILE 40 -8.178 2.101 -3.086
345 QG1 ILE 40 QG1 ILE 40 -6.780 1.347 -1.447
346 QG2 ILE 40 QG2 ILE 40 -8.721 1.834 1.165
347 QD1 ILE 40 QD1 ILE 40 -8.437 2.709 -2.311
348 H GLY 41 HN GLY 41 -4.814 3.337 1.867
349 1HA GLY 41 1HA GLY 41 -5.947 4.223 4.422
350 2HA GLY 41 2HA GLY 41 -4.320 3.599 4.102
351 QA GLY 41 QA GLY 41 -5.134 3.911 4.262
352 OH TYR 42 OH TYR 42 -8.834 9.101 7.635
353 H TYR 42 HN TYR 42 -3.548 5.343 5.431
354 HA TYR 42 HA TYR 42 -3.732 8.119 4.335
355 2HB TYR 42 2HB TYR 42 -3.044 6.984 7.077
356 3HB TYR 42 3HB TYR 42 -2.797 8.664 6.623
357 HD1 TYR 42 HD1 TYR 42 -4.440 10.180 7.298
358 HD2 TYR 42 HD2 TYR 42 -5.636 6.127 6.441
359 HE1 TYR 42 HE1 TYR 42 -6.797 10.759 7.760
360 HE2 TYR 42 HE2 TYR 42 -7.971 6.719 6.867
361 HH TYR 42 HH TYR 42 -9.439 8.372 7.486
362 QB TYR 42 QB TYR 42 -2.921 7.824 6.850
363 QB TYR 42 QB TYR 42 -2.921 7.824 6.850
364 H CYS 43 HN CYS 43 -1.606 9.356 4.592
365 HA CYS 43 HA CYS 43 0.755 7.630 3.965
366 2HB CYS 43 2HB CYS 43 -0.244 9.044 2.048
367 3HB CYS 43 3HB CYS 43 0.220 10.456 2.984
368 QB CYS 43 QB CYS 43 -0.012 9.750 2.516
369 H CYS 44 HN CYS 44 2.796 8.581 4.928
370 HA CYS 44 HA CYS 44 2.479 10.987 6.569
371 2HB CYS 44 2HB CYS 44 3.392 8.426 7.810
372 3HB CYS 44 3HB CYS 44 3.566 10.006 8.522
373 QB CYS 44 QB CYS 44 3.479 9.216 8.166
374 H LYS 45 HN LYS 45 4.691 11.626 7.524
375 HA LYS 45 HA LYS 45 7.058 10.512 6.160
376 2HB LYS 45 2HB LYS 45 5.711 12.397 4.893
377 3HB LYS 45 3HB LYS 45 6.493 13.505 5.991
378 1HG LYS 45 2HG LYS 45 7.999 11.434 4.312
379 2HG LYS 45 3HG LYS 45 7.419 12.896 3.567
380 1HD LYS 45 2HD LYS 45 9.506 12.688 5.785
381 2HD LYS 45 3HD LYS 45 9.751 13.123 4.095
382 2HE LYS 45 2HE LYS 45 8.427 14.782 6.266
383 3HE LYS 45 3HE LYS 45 9.842 15.172 5.282
384 1HZ LYS 45 2HZ LYS 45 8.393 15.300 3.379
385 2HZ LYS 45 3HZ LYS 45 7.087 14.941 4.293
386 3HZ LYS 45 1HZ LYS 45 7.900 16.335 4.542
387 QB LYS 45 QB LYS 45 6.102 12.951 5.442
388 QG LYS 45 QG LYS 45 7.709 12.165 3.940
389 QD LYS 45 QD LYS 45 9.628 12.906 4.940
390 QE LYS 45 QE LYS 45 9.134 14.977 5.774
391 QZ LYS 45 QZ LYS 45 7.467 15.659 4.386
392 H GLN 46 HN GLN 46 8.469 10.188 7.879
393 HA GLN 46 HA GLN 46 8.238 11.839 10.310
394 2HB GLN 46 2HB GLN 46 9.732 10.305 11.337
395 3HB GLN 46 3HB GLN 46 8.512 9.403 10.448
396 1HG GLN 46 2HG GLN 46 10.181 9.174 8.547
397 2HG GLN 46 3HG GLN 46 11.403 9.854 9.650
398 1HE2 GLN 46 1HE2 GLN 46 10.821 6.746 11.782
399 2HE2 GLN 46 2HE2 GLN 46 10.402 8.429 12.064
400 QB GLN 46 QB GLN 46 9.122 9.854 10.892
401 QG GLN 46 QG GLN 46 10.792 9.514 9.099
402 QE2 GLN 46 QE2 GLN 46 10.611 7.588 11.923
Start of MODEL 8
Raw file had 402 H/Q atoms
1 1H GLY 1 2HN GLY 1 -0.281 0.488 -0.943
2 2H GLY 1 3HN GLY 1 -0.349 -0.993 -0.204
3 3H GLY 1 1HN GLY 1 -0.391 0.390 0.706
4 1HA GLY 1 1HA GLY 1 1.770 -0.620 0.859
5 2HA GLY 1 2HA GLY 1 1.882 -0.536 -0.916
6 QA GLY 1 QA GLY 1 1.826 -0.578 -0.028
7 H ALA 2 HN ALA 2 3.867 0.755 0.461
8 HA ALA 2 HA ALA 2 3.149 3.657 0.383
9 1HB ALA 2 1HB ALA 2 4.228 2.294 2.515
10 2HB ALA 2 2HB ALA 2 5.698 2.808 1.670
11 3HB ALA 2 3HB ALA 2 4.492 4.011 2.174
12 QB ALA 2 QB ALA 2 4.806 3.038 2.120
13 H ALA 3 HN ALA 3 5.582 4.764 0.019
14 HA ALA 3 HA ALA 3 6.211 4.155 -2.725
15 1HB ALA 3 3HB ALA 3 7.519 6.058 -0.780
16 2HB ALA 3 1HB ALA 3 7.893 5.921 -2.512
17 3HB ALA 3 2HB ALA 3 6.274 6.436 -1.999
18 QB ALA 3 QB ALA 3 7.229 6.138 -1.764
19 H CYS 4 HN CYS 4 7.997 3.021 -3.485
20 HA CYS 4 HA CYS 4 10.181 2.193 -1.635
21 2HB CYS 4 2HB CYS 4 10.210 -0.017 -2.998
22 3HB CYS 4 3HB CYS 4 9.031 0.254 -1.735
23 QB CYS 4 QB CYS 4 9.620 0.119 -2.366
24 H LEU 5 HN LEU 5 12.081 1.489 -2.670
25 HA LEU 5 HA LEU 5 12.997 3.131 -4.797
26 2HB LEU 5 2HB LEU 5 14.438 0.581 -4.190
27 3HB LEU 5 3HB LEU 5 15.045 2.170 -4.621
28 HG LEU 5 HG LEU 5 14.020 1.235 -1.926
29 1HD1 LEU 5 2HD1 LEU 5 16.330 0.533 -2.614
30 2HD1 LEU 5 3HD1 LEU 5 16.757 2.246 -2.792
31 3HD1 LEU 5 1HD1 LEU 5 16.323 1.605 -1.203
32 1HD2 LEU 5 3HD2 LEU 5 14.783 4.017 -2.871
33 2HD2 LEU 5 1HD2 LEU 5 13.340 3.483 -1.956
34 3HD2 LEU 5 2HD2 LEU 5 14.909 3.545 -1.163
35 QB LEU 5 QB LEU 5 14.741 1.375 -4.405
36 QD1 LEU 5 QD1 LEU 5 16.470 1.461 -2.203
37 QD2 LEU 5 QD2 LEU 5 14.344 3.682 -1.997
38 QQD LEU 5 QQD LEU 5 15.407 2.572 -2.100
39 H CYS 6 HN CYS 6 13.142 2.667 -6.873
40 HA CYS 6 HA CYS 6 11.759 0.353 -8.066
41 2HB CYS 6 2HB CYS 6 11.790 3.303 -8.488
42 3HB CYS 6 3HB CYS 6 12.053 2.407 -9.977
43 QB CYS 6 QB CYS 6 11.922 2.855 -9.233
44 H LYS 7 HN LYS 7 12.638 0.087 -10.560
45 HA LYS 7 HA LYS 7 15.146 -1.134 -10.238
46 2HB LYS 7 2HB LYS 7 13.667 -1.837 -12.010
47 3HB LYS 7 3HB LYS 7 13.732 -0.241 -12.772
48 1HG LYS 7 2HG LYS 7 16.430 -0.898 -12.767
49 2HG LYS 7 3HG LYS 7 15.693 -2.489 -12.773
50 1HD LYS 7 2HD LYS 7 14.681 -2.092 -14.919
51 2HD LYS 7 3HD LYS 7 14.912 -0.342 -14.786
52 2HE LYS 7 2HE LYS 7 16.548 -1.372 -16.353
53 3HE LYS 7 3HE LYS 7 17.300 -0.495 -15.017
54 1HZ LYS 7 3HZ LYS 7 16.980 -3.406 -15.153
55 2HZ LYS 7 1HZ LYS 7 18.365 -2.582 -15.413
56 3HZ LYS 7 2HZ LYS 7 17.681 -2.582 -13.930
57 QB LYS 7 QB LYS 7 13.700 -1.039 -12.391
58 QG LYS 7 QG LYS 7 16.062 -1.694 -12.770
59 QD LYS 7 QD LYS 7 14.797 -1.217 -14.852
60 QE LYS 7 QE LYS 7 16.924 -0.933 -15.685
61 QZ LYS 7 QZ LYS 7 17.697 -3.032 -15.270
62 H SER 8 HN SER 8 14.303 2.109 -11.356
63 HA SER 8 HA SER 8 17.069 2.852 -11.946
64 2HB SER 8 2HB SER 8 15.046 3.783 -13.130
65 3HB SER 8 3HB SER 8 14.636 4.645 -11.629
66 HG SER 8 HG SER 8 16.790 5.544 -11.770
67 QB SER 8 QB SER 8 14.841 4.214 -12.380
68 H ASP 9 HN ASP 9 16.433 1.804 -9.144
69 HA ASP 9 HA ASP 9 16.742 3.849 -7.275
70 2HB ASP 9 2HB ASP 9 16.199 1.577 -6.655
71 3HB ASP 9 3HB ASP 9 17.755 0.991 -7.262
72 QB ASP 9 QB ASP 9 16.977 1.284 -6.958
73 H GLY 10 HN GLY 10 18.774 4.198 -6.039
74 1HA GLY 10 1HA GLY 10 21.354 3.922 -7.232
75 2HA GLY 10 2HA GLY 10 20.783 5.575 -7.496
76 QA GLY 10 QA GLY 10 21.069 4.748 -7.364
77 HA PRO 11 HA PRO 11 22.009 6.256 -3.241
78 2HB PRO 11 2HB PRO 11 20.607 8.476 -2.526
79 3HB PRO 11 3HB PRO 11 21.938 8.501 -3.712
80 1HG PRO 11 2HG PRO 11 18.963 8.421 -4.261
81 2HG PRO 11 3HG PRO 11 20.203 9.452 -5.034
82 1HD PRO 11 2HD PRO 11 19.280 7.105 -6.162
83 2HD PRO 11 3HD PRO 11 20.954 7.686 -6.390
84 QB PRO 11 QB PRO 11 21.272 8.488 -3.119
85 QG PRO 11 QG PRO 11 19.583 8.936 -4.648
86 QD PRO 11 QD PRO 11 20.117 7.396 -6.276
87 H ASN 12 HN ASN 12 21.256 4.413 -2.252
88 HA ASN 12 HA ASN 12 18.594 3.830 -1.444
89 2HB ASN 12 2HB ASN 12 20.406 2.194 -1.540
90 3HB ASN 12 3HB ASN 12 21.296 3.039 -0.270
91 1HD2 ASN 12 1HD2 ASN 12 20.205 3.127 1.930
92 2HD2 ASN 12 2HD2 ASN 12 19.261 1.701 2.393
93 QB ASN 12 QB ASN 12 20.851 2.616 -0.905
94 QD2 ASN 12 QD2 ASN 12 19.733 2.414 2.161
95 H THR 13 HN THR 13 17.886 6.024 -0.756
96 HA THR 13 HA THR 13 17.900 6.183 2.134
97 HB THR 13 HB THR 13 19.996 7.411 1.589
98 HG1 THR 13 HG1 THR 13 19.398 9.273 2.745
99 1HG2 THR 13 3HG2 THR 13 19.154 8.274 -0.688
100 2HG2 THR 13 2HG2 THR 13 18.253 9.501 0.218
101 3HG2 THR 13 1HG2 THR 13 20.024 9.436 0.324
102 QG2 THR 13 QG2 THR 13 19.144 9.070 -0.049
103 NH1 ARG 14 NH1 ARG 14 9.231 10.071 1.966
104 NH2 ARG 14 NH2 ARG 14 8.122 8.256 2.881
105 H ARG 14 HN ARG 14 16.393 7.966 2.854
106 HA ARG 14 HA ARG 14 14.012 7.768 1.242
107 2HB ARG 14 2HB ARG 14 14.447 7.711 3.883
108 3HB ARG 14 3HB ARG 14 14.166 9.438 3.785
109 1HG ARG 14 2HG ARG 14 12.173 7.749 2.338
110 2HG ARG 14 3HG ARG 14 12.325 7.400 4.056
111 1HD ARG 14 2HD ARG 14 11.872 9.779 4.588
112 2HD ARG 14 3HD ARG 14 11.705 10.132 2.866
113 HE ARG 14 HE ARG 14 10.015 8.248 4.506
114 1HH1 ARG 14 1HH1 ARG 14 8.482 10.199 1.316
115 2HH1 ARG 14 2HH1 ARG 14 10.020 10.685 1.947
116 1HH2 ARG 14 1HH2 ARG 14 7.374 8.386 2.230
117 2HH2 ARG 14 2HH2 ARG 14 8.081 7.511 3.547
118 QB ARG 14 QB ARG 14 14.307 8.575 3.834
119 QG ARG 14 QG ARG 14 12.249 7.575 3.197
120 QD ARG 14 QD ARG 14 11.788 9.955 3.727
121 QH1 ARG 14 QH1 ARG 14 9.251 10.442 1.631
122 QH2 ARG 14 QH2 ARG 14 7.728 7.949 2.888
123 H GLY 15 HN GLY 15 14.295 9.048 -0.638
124 1HA GLY 15 1HA GLY 15 13.728 11.865 -0.278
125 2HA GLY 15 2HA GLY 15 15.410 11.611 -0.777
126 QA GLY 15 QA GLY 15 14.569 11.738 -0.528
127 H ASN 16 HN ASN 16 15.738 10.298 -2.758
128 HA ASN 16 HA ASN 16 13.557 10.675 -4.769
129 2HB ASN 16 2HB ASN 16 15.747 12.139 -4.869
130 3HB ASN 16 3HB ASN 16 16.503 10.660 -5.479
131 1HD2 ASN 16 2HD2 ASN 16 14.987 12.895 -8.227
132 2HD2 ASN 16 1HD2 ASN 16 16.002 13.284 -6.849
133 QB ASN 16 QB ASN 16 16.125 11.399 -5.174
134 QD2 ASN 16 QD2 ASN 16 15.495 13.090 -7.538
135 H SER 17 HN SER 17 14.470 9.039 -6.748
136 HA SER 17 HA SER 17 14.876 6.977 -7.447
137 2HB SER 17 2HB SER 17 16.607 5.849 -6.668
138 3HB SER 17 3HB SER 17 16.850 7.224 -5.618
139 HG SER 17 HG SER 17 16.808 4.968 -4.663
140 QB SER 17 QB SER 17 16.729 6.536 -6.143
141 H MET 18 HN MET 18 13.286 7.190 -4.318
142 HA MET 18 HA MET 18 11.722 4.824 -4.842
143 2HB MET 18 2HB MET 18 11.345 4.719 -2.551
144 3HB MET 18 3HB MET 18 12.961 5.466 -2.668
145 1HG MET 18 2HG MET 18 11.920 7.674 -2.457
146 2HG MET 18 3HG MET 18 10.346 6.890 -2.148
147 1HE MET 18 1HE MET 18 9.792 5.386 -0.161
148 2HE MET 18 2HE MET 18 11.237 4.361 -0.346
149 3HE MET 18 3HE MET 18 10.871 5.099 1.223
150 QB MET 18 QB MET 18 12.153 5.093 -2.609
151 QG MET 18 QG MET 18 11.133 7.282 -2.303
152 QE MET 18 QE MET 18 10.633 4.949 0.239
153 H SER 19 HN SER 19 9.691 4.709 -5.362
154 HA SER 19 HA SER 19 7.717 6.800 -4.932
155 2HB SER 19 2HB SER 19 9.379 6.991 -7.387
156 3HB SER 19 3HB SER 19 7.645 6.927 -7.733
157 HG SER 19 HG SER 19 8.882 8.643 -5.864
158 QB SER 19 QB SER 19 8.512 6.959 -7.560
159 H GLY 20 HN GLY 20 8.664 3.648 -6.078
160 1HA GLY 20 1HA GLY 20 6.235 3.114 -7.572
161 2HA GLY 20 2HA GLY 20 7.468 1.951 -7.061
162 QA GLY 20 QA GLY 20 6.852 2.533 -7.317
163 H THR 21 HN THR 21 4.534 1.722 -6.728
164 HA THR 21 HA THR 21 4.035 2.126 -3.845
165 HB THR 21 HB THR 21 2.358 1.061 -6.125
166 HG1 THR 21 HG1 THR 21 3.043 3.376 -5.951
167 1HG2 THR 21 2HG2 THR 21 1.521 1.764 -3.294
168 2HG2 THR 21 1HG2 THR 21 0.424 1.475 -4.663
169 3HG2 THR 21 3HG2 THR 21 1.443 0.152 -4.071
170 QG2 THR 21 QG2 THR 21 1.129 1.130 -4.009
171 H ILE 22 HN ILE 22 4.573 0.453 -2.426
172 HA ILE 22 HA ILE 22 5.546 -2.094 -3.294
173 HB ILE 22 HB ILE 22 4.364 -1.118 -0.726
174 2HG1 ILE 22 2HG1 ILE 22 6.755 -2.153 -0.003
175 3HG1 ILE 22 3HG1 ILE 22 7.124 -1.818 -1.688
176 1HG2 ILE 22 2HG2 ILE 22 5.211 -3.990 -1.229
177 2HG2 ILE 22 3HG2 ILE 22 4.891 -3.293 0.372
178 3HG2 ILE 22 1HG2 ILE 22 3.580 -3.432 -0.778
179 1HD1 ILE 22 1HD1 ILE 22 5.956 0.229 0.274
180 2HD1 ILE 22 2HD1 ILE 22 7.683 0.000 0.018
181 3HD1 ILE 22 3HD1 ILE 22 6.668 0.549 -1.326
182 QG1 ILE 22 QG1 ILE 22 6.939 -1.985 -0.845
183 QG2 ILE 22 QG2 ILE 22 4.561 -3.572 -0.545
184 QD1 ILE 22 QD1 ILE 22 6.769 0.259 -0.345
185 CH2 TRP 23 CH2 TRP 23 -2.362 -2.465 -6.378
186 H TRP 23 HN TRP 23 4.577 -4.044 -3.695
187 HA TRP 23 HA TRP 23 1.643 -4.340 -3.411
188 2HB TRP 23 2HB TRP 23 3.380 -5.078 -5.789
189 3HB TRP 23 3HB TRP 23 1.809 -5.822 -5.471
190 HD1 TRP 23 HD1 TRP 23 3.337 -2.582 -6.701
191 HE1 TRP 23 HE1 TRP 23 1.513 -0.956 -7.454
192 HE3 TRP 23 HE3 TRP 23 -0.759 -5.234 -5.187
193 HZ2 TRP 23 HZ2 TRP 23 -1.385 -0.778 -7.313
194 HZ3 TRP 23 HZ3 TRP 23 -3.036 -4.300 -5.462
195 HH2 TRP 23 HH2 TRP 23 -3.359 -2.066 -6.495
196 QB TRP 23 QB TRP 23 2.595 -5.450 -5.630
197 H VAL 24 HN VAL 24 1.037 -6.264 -2.624
198 HA VAL 24 HA VAL 24 3.070 -7.998 -1.381
199 HB VAL 24 HB VAL 24 0.035 -7.816 -1.203
200 1HG1 VAL 24 3HG1 VAL 24 1.938 -9.708 0.244
201 2HG1 VAL 24 1HG1 VAL 24 0.253 -9.405 0.718
202 3HG1 VAL 24 2HG1 VAL 24 0.602 -10.158 -0.841
203 1HG2 VAL 24 2HG2 VAL 24 1.364 -5.988 -0.084
204 2HG2 VAL 24 3HG2 VAL 24 0.473 -7.001 1.062
205 3HG2 VAL 24 1HG2 VAL 24 2.220 -7.233 0.849
206 QG1 VAL 24 QG1 VAL 24 0.931 -9.757 0.040
207 QG2 VAL 24 QG2 VAL 24 1.352 -6.741 0.609
208 QQG VAL 24 QQG VAL 24 1.142 -8.249 0.325
209 H PHE 25 HN PHE 25 0.524 -8.128 -3.889
210 HA PHE 25 HA PHE 25 1.054 -10.975 -4.400
211 2HB PHE 25 2HB PHE 25 -0.827 -8.944 -5.684
212 3HB PHE 25 3HB PHE 25 -0.674 -10.616 -6.211
213 HD1 PHE 25 HD1 PHE 25 -2.865 -8.631 -4.529
214 HD2 PHE 25 HD2 PHE 25 -0.706 -12.338 -4.015
215 HE1 PHE 25 HE1 PHE 25 -4.616 -9.452 -2.986
216 HE2 PHE 25 HE2 PHE 25 -2.429 -13.118 -2.431
217 HZ PHE 25 HZ PHE 25 -4.396 -11.686 -1.919
218 QB PHE 25 QB PHE 25 -0.751 -9.780 -5.948
219 QB PHE 25 QB PHE 25 -0.751 -9.780 -5.948
220 H GLY 26 HN GLY 26 0.833 -8.252 -6.748
221 1HA GLY 26 1HA GLY 26 3.377 -8.619 -7.946
222 2HA GLY 26 2HA GLY 26 2.121 -9.556 -8.806
223 QA GLY 26 QA GLY 26 2.749 -9.088 -8.376
224 H CYS 27 HN CYS 27 3.022 -7.572 -10.344
225 HA CYS 27 HA CYS 27 1.894 -5.015 -9.610
226 2HB CYS 27 2HB CYS 27 4.035 -5.168 -10.690
227 3HB CYS 27 3HB CYS 27 3.277 -5.827 -12.173
228 QB CYS 27 QB CYS 27 3.656 -5.497 -11.432
229 HA PRO 28 HA PRO 28 -1.902 -5.981 -11.836
230 2HB PRO 28 2HB PRO 28 -3.299 -3.618 -11.394
231 3HB PRO 28 3HB PRO 28 -3.125 -4.954 -10.226
232 1HG PRO 28 2HG PRO 28 -1.717 -2.319 -10.269
233 2HG PRO 28 3HG PRO 28 -2.165 -3.358 -8.892
234 1HD PRO 28 2HD PRO 28 0.387 -3.139 -10.083
235 2HD PRO 28 3HD PRO 28 -0.151 -4.420 -8.961
236 QB PRO 28 QB PRO 28 -3.212 -4.286 -10.810
237 QG PRO 28 QG PRO 28 -1.941 -2.839 -9.580
238 QD PRO 28 QD PRO 28 0.118 -3.780 -9.522
239 H SER 29 HN SER 29 -3.319 -5.039 -13.546
240 HA SER 29 HA SER 29 -1.855 -4.295 -15.835
241 2HB SER 29 2HB SER 29 -4.637 -4.840 -15.182
242 3HB SER 29 3HB SER 29 -4.570 -3.365 -16.142
243 HG SER 29 HG SER 29 -3.400 -4.514 -17.714
244 QB SER 29 QB SER 29 -4.603 -4.102 -15.662
245 H GLY 30 HN GLY 30 -1.326 -2.360 -16.768
246 1HA GLY 30 1HA GLY 30 -1.424 -0.065 -17.167
247 2HA GLY 30 2HA GLY 30 -2.413 0.188 -15.727
248 QA GLY 30 QA GLY 30 -1.919 0.061 -16.447
249 CH2 TRP 31 CH2 TRP 31 0.608 2.521 -8.085
250 H TRP 31 HN TRP 31 -0.171 -1.708 -14.362
251 HA TRP 31 HA TRP 31 1.604 0.570 -13.629
252 2HB TRP 31 2HB TRP 31 0.692 -1.933 -12.242
253 3HB TRP 31 3HB TRP 31 2.047 -0.920 -11.698
254 HD1 TRP 31 HD1 TRP 31 -1.739 -0.404 -12.371
255 HE1 TRP 31 HE1 TRP 31 -2.629 1.123 -10.533
256 HE3 TRP 31 HE3 TRP 31 2.610 0.364 -9.835
257 HZ2 TRP 31 HZ2 TRP 31 -1.532 2.574 -8.202
258 HZ3 TRP 31 HZ3 TRP 31 2.735 2.226 -8.156
259 HH2 TRP 31 HH2 TRP 31 0.651 3.300 -7.339
260 QB TRP 31 QB TRP 31 1.370 -1.426 -11.970
261 H ASN 32 HN ASN 32 3.914 -0.096 -13.160
262 HA ASN 32 HA ASN 32 4.924 -2.159 -15.049
263 2HB ASN 32 2HB ASN 32 6.462 -0.770 -16.014
264 3HB ASN 32 3HB ASN 32 4.987 0.184 -15.981
265 1HD2 ASN 32 1HD2 ASN 32 8.414 1.422 -14.082
266 2HD2 ASN 32 2HD2 ASN 32 8.286 -0.149 -14.830
267 QB ASN 32 QB ASN 32 5.725 -0.293 -15.998
268 QD2 ASN 32 QD2 ASN 32 8.350 0.637 -14.456
269 H ASN 33 HN ASN 33 6.094 -3.600 -14.126
270 HA ASN 33 HA ASN 33 6.460 -4.052 -11.480
271 2HB ASN 33 2HB ASN 33 6.787 -5.520 -13.675
272 3HB ASN 33 3HB ASN 33 8.487 -5.120 -13.454
273 1HD2 ASN 33 2HD2 ASN 33 5.639 -6.248 -11.501
274 2HD2 ASN 33 1HD2 ASN 33 6.546 -7.509 -10.682
275 QB ASN 33 QB ASN 33 7.637 -5.320 -13.564
276 QD2 ASN 33 QD2 ASN 33 6.093 -6.878 -11.092
277 H CYS 34 HN CYS 34 8.153 -3.686 -9.753
278 HA CYS 34 HA CYS 34 10.606 -2.414 -10.725
279 2HB CYS 34 2HB CYS 34 8.543 -1.009 -9.086
280 3HB CYS 34 3HB CYS 34 10.170 -1.036 -8.414
281 QB CYS 34 QB CYS 34 9.356 -1.023 -8.750
282 H GLU 35 HN GLU 35 12.246 -2.774 -9.446
283 HA GLU 35 HA GLU 35 11.987 -4.624 -7.146
284 2HB GLU 35 2HB GLU 35 13.864 -5.904 -7.952
285 3HB GLU 35 3HB GLU 35 12.591 -5.842 -9.181
286 1HG GLU 35 2HG GLU 35 13.939 -4.026 -10.348
287 2HG GLU 35 3HG GLU 35 15.244 -4.379 -9.196
288 QB GLU 35 QB GLU 35 13.227 -5.873 -8.566
289 QG GLU 35 QG GLU 35 14.592 -4.202 -9.772
290 H GLY 36 HN GLY 36 12.743 -3.628 -5.410
291 1HA GLY 36 1HA GLY 36 14.762 -1.410 -5.634
292 2HA GLY 36 2HA GLY 36 13.332 -1.406 -4.569
293 QA GLY 36 QA GLY 36 14.047 -1.408 -5.102
294 NH1 ARG 37 NH1 ARG 37 21.850 -3.325 -7.511
295 NH2 ARG 37 NH2 ARG 37 20.094 -4.763 -7.030
296 H ARG 37 HN ARG 37 16.264 -1.318 -3.888
297 HA ARG 37 HA ARG 37 16.461 -3.867 -2.388
298 2HB ARG 37 2HB ARG 37 18.549 -1.676 -2.627
299 3HB ARG 37 3HB ARG 37 18.740 -3.366 -2.123
300 1HG ARG 37 2HG ARG 37 17.805 -3.833 -4.609
301 2HG ARG 37 3HG ARG 37 18.372 -2.172 -4.874
302 1HD ARG 37 2HD ARG 37 20.507 -3.270 -3.503
303 2HD ARG 37 3HD ARG 37 19.930 -4.694 -4.351
304 HE ARG 37 HE ARG 37 21.123 -2.188 -5.390
305 1HH1 ARG 37 1HH1 ARG 37 22.010 -3.803 -8.375
306 2HH1 ARG 37 2HH1 ARG 37 22.428 -2.551 -7.254
307 1HH2 ARG 37 2HH2 ARG 37 19.364 -5.061 -6.415
308 2HH2 ARG 37 1HH2 ARG 37 20.248 -5.245 -7.892
309 QB ARG 37 QB ARG 37 18.645 -2.521 -2.375
310 QG ARG 37 QG ARG 37 18.088 -3.003 -4.741
311 QD ARG 37 QD ARG 37 20.219 -3.982 -3.927
312 QH1 ARG 37 QH1 ARG 37 22.219 -3.177 -7.814
313 QH2 ARG 37 QH2 ARG 37 19.806 -5.153 -7.153
314 H ALA 38 HN ALA 38 14.480 -2.620 -1.310
315 HA ALA 38 HA ALA 38 15.331 -2.271 1.423
316 1HB ALA 38 3HB ALA 38 16.005 -0.005 0.681
317 2HB ALA 38 1HB ALA 38 14.369 0.270 0.049
318 3HB ALA 38 2HB ALA 38 14.634 0.081 1.788
319 QB ALA 38 QB ALA 38 15.003 0.115 0.839
320 H ILE 39 HN ILE 39 13.541 -4.051 0.297
321 HA ILE 39 HA ILE 39 11.075 -3.441 1.687
322 HB ILE 39 HB ILE 39 9.694 -4.011 -0.381
323 2HG1 ILE 39 2HG1 ILE 39 12.211 -3.164 -1.882
324 3HG1 ILE 39 3HG1 ILE 39 11.616 -4.832 -1.769
325 1HG2 ILE 39 2HG2 ILE 39 9.929 -1.696 0.646
326 2HG2 ILE 39 3HG2 ILE 39 11.047 -1.328 -0.692
327 3HG2 ILE 39 1HG2 ILE 39 9.373 -1.813 -1.019
328 1HD1 ILE 39 3HD1 ILE 39 9.488 -4.111 -2.858
329 2HD1 ILE 39 1HD1 ILE 39 10.175 -2.475 -3.020
330 3HD1 ILE 39 2HD1 ILE 39 10.924 -3.837 -3.870
331 QG1 ILE 39 QG1 ILE 39 11.913 -3.998 -1.826
332 QG2 ILE 39 QG2 ILE 39 10.116 -1.612 -0.355
333 QD1 ILE 39 QD1 ILE 39 10.196 -3.474 -3.249
334 H ILE 40 HN ILE 40 9.561 -5.342 1.346
335 HA ILE 40 HA ILE 40 11.112 -7.886 1.532
336 HB ILE 40 HB ILE 40 8.396 -7.124 2.696
337 2HG1 ILE 40 2HG1 ILE 40 9.624 -7.410 4.900
338 3HG1 ILE 40 3HG1 ILE 40 11.147 -7.309 4.013
339 1HG2 ILE 40 1HG2 ILE 40 8.744 -9.590 2.178
340 2HG2 ILE 40 2HG2 ILE 40 10.112 -9.556 3.309
341 3HG2 ILE 40 3HG2 ILE 40 8.466 -9.203 3.875
342 1HD1 ILE 40 2HD1 ILE 40 9.131 -5.093 3.617
343 2HD1 ILE 40 3HD1 ILE 40 9.956 -5.198 5.179
344 3HD1 ILE 40 1HD1 ILE 40 10.910 -5.013 3.705
345 QG1 ILE 40 QG1 ILE 40 10.385 -7.359 4.457
346 QG2 ILE 40 QG2 ILE 40 9.107 -9.450 3.121
347 QD1 ILE 40 QD1 ILE 40 9.999 -5.101 4.167
348 H GLY 41 HN GLY 41 7.942 -6.542 0.483
349 1HA GLY 41 1HA GLY 41 7.312 -8.846 -1.196
350 2HA GLY 41 2HA GLY 41 6.383 -7.354 -0.989
351 QA GLY 41 QA GLY 41 6.847 -8.100 -1.092
352 OH TYR 42 OH TYR 42 6.560 -12.723 -4.447
353 H TYR 42 HN TYR 42 6.044 -6.758 -3.122
354 HA TYR 42 HA TYR 42 8.417 -6.578 -4.946
355 2HB TYR 42 2HB TYR 42 5.489 -6.791 -5.701
356 3HB TYR 42 3HB TYR 42 6.899 -6.984 -6.740
357 HD1 TYR 42 HD1 TYR 42 4.853 -8.544 -4.041
358 HD2 TYR 42 HD2 TYR 42 8.073 -9.157 -6.845
359 HE1 TYR 42 HE1 TYR 42 4.980 -10.923 -3.382
360 HE2 TYR 42 HE2 TYR 42 8.082 -11.569 -6.290
361 HH TYR 42 HH TYR 42 7.188 -13.233 -4.961
362 QB TYR 42 QB TYR 42 6.194 -6.887 -6.220
363 QB TYR 42 QB TYR 42 6.194 -6.887 -6.220
364 H CYS 43 HN CYS 43 8.396 -4.598 -6.344
365 HA CYS 43 HA CYS 43 6.812 -2.336 -5.141
366 2HB CYS 43 2HB CYS 43 9.402 -2.293 -5.062
367 3HB CYS 43 3HB CYS 43 9.346 -2.186 -6.800
368 QB CYS 43 QB CYS 43 9.374 -2.240 -5.931
369 H CYS 44 HN CYS 44 5.536 -1.148 -6.773
370 HA CYS 44 HA CYS 44 6.219 -1.713 -9.567
371 2HB CYS 44 2HB CYS 44 4.317 -3.368 -8.897
372 3HB CYS 44 3HB CYS 44 3.276 -1.910 -8.958
373 QB CYS 44 QB CYS 44 3.796 -2.639 -8.927
374 H LYS 45 HN LYS 45 5.860 0.065 -10.941
375 HA LYS 45 HA LYS 45 4.980 2.500 -9.436
376 2HB LYS 45 2HB LYS 45 7.367 2.132 -10.688
377 3HB LYS 45 3HB LYS 45 6.411 2.705 -12.033
378 1HG LYS 45 2HG LYS 45 5.710 4.534 -10.035
379 2HG LYS 45 3HG LYS 45 7.337 4.078 -9.565
380 1HD LYS 45 2HD LYS 45 7.495 6.017 -10.879
381 2HD LYS 45 3HD LYS 45 8.142 4.724 -11.883
382 2HE LYS 45 2HE LYS 45 5.197 5.533 -12.091
383 3HE LYS 45 3HE LYS 45 6.424 6.577 -12.790
384 1HZ LYS 45 2HZ LYS 45 7.166 4.795 -14.161
385 2HZ LYS 45 3HZ LYS 45 6.056 3.773 -13.538
386 3HZ LYS 45 1HZ LYS 45 5.575 5.069 -14.408
387 QB LYS 45 QB LYS 45 6.889 2.418 -11.361
388 QG LYS 45 QG LYS 45 6.523 4.306 -9.800
389 QD LYS 45 QD LYS 45 7.819 5.371 -11.381
390 QE LYS 45 QE LYS 45 5.811 6.055 -12.441
391 QZ LYS 45 QZ LYS 45 5.818 4.396 -14.012
392 H GLN 46 HN GLN 46 3.580 3.984 -10.471
393 HA GLN 46 HA GLN 46 1.457 2.799 -11.905
394 2HB GLN 46 2HB GLN 46 1.914 5.124 -10.428
395 3HB GLN 46 3HB GLN 46 1.646 5.780 -12.038
396 1HG GLN 46 2HG GLN 46 -0.556 4.856 -12.150
397 2HG GLN 46 3HG GLN 46 -0.241 3.746 -10.814
398 1HE2 GLN 46 1HE2 GLN 46 -1.839 6.633 -11.480
399 2HE2 GLN 46 2HE2 GLN 46 -1.826 7.263 -9.842
400 QB GLN 46 QB GLN 46 1.780 5.452 -11.233
401 QG GLN 46 QG GLN 46 -0.398 4.301 -11.482
402 QE2 GLN 46 QE2 GLN 46 -1.832 6.948 -10.661
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